!
! The following citation should be used whenever basis sets obtained from
! PNL are used:
!
! Basis sets were obtained from the Extensible Computational Chemistry
! Environment Basis Set Database, Version 1.0, as developed and distributed
! by the Molecular Science Computing Facility, Environmental and Molecular
! Sciences Laboratory which is part of the Pacific Northwest Laboratory,
! P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S.
! Department of Energy. The Pacific Northwest Laboratory is a multi-program
! laboratory operated by Battelle Memorial Institue for the U.S. Department
! of Energy under contract DE-AC06-76RLO 1830. Contact David Feller, Karen
! Schuchardt, or Don Jones for further information.
!

!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H - Ne: J.S. Binkley, J.A. Pople, W.J. Hehre, J. Am. Chem. Soc. 102 939 (1980)
!                                                                               
!Na - Ar: M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro and W.J. Hehre,    
!         J. Am. Chem. Soc. 104, 2797 (1983).                                   
! K - Ca: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 7, 359 (1986).               
!Ga - Kr: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 7, 359 (1986).               
!Sc - Zn: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 8, 861 (1987).               
! Y - Cd: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 8, 880 (1987).               
!Cs     : A 3-21G quality set derived from the Huzinage MIDI basis sets.        
!         E.D. Glendening and D. Feller, J. Phys. Chem. (to be published)
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             Reference                                 
!--------                             ----------                                
!H, Li-Cl: T. Clark, J. Chandrasekhar, P.V.R. Schleyer, J. Comp. Chem. 4, 294   
!          (1983).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             Reference                                 
!--------                             ----------                                
!Na - Ar:  W.J. Pietro, M.M. Francl, W.J. Hehre, D.J. DeFrees, J.A. Pople and   
!          J.S. Binkley, J. Am. Chem. Soc. 104, 5039 (1982)

H:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  1
    0
    3
    4
 
      5.447178      0.824547      0.183192      0.036000
 
 0.1562850  0.0000000  0.0000000
 0.9046910  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 

HE:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  1
    0
    2
    3
 
     13.626700      1.999350      0.382993
 
 0.1752300  0.0000000
 0.8934830  0.0000000
 0.0000000  1.0000000
 

LI:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
    7    4
 
     36.838200      5.481720      1.113270      0.540205      0.102255
      0.028565      0.007400
 
 0.0696686  0.0000000  0.0000000  0.0000000
 0.3813460  0.0000000  0.0000000  0.0000000
 0.6817020  0.0000000  0.0000000  0.0000000
 0.0000000 -0.2631270  0.0000000  0.0000000
 0.0000000  1.1433900  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.540205      0.102255      0.028565      0.007400
 
 0.1615460  0.0000000  0.0000000
 0.9156630  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 

BE:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
    7    4
 
     71.887600     10.728900      2.222050      1.295480      0.268881
      0.077350      0.020700
 
 0.0644263  0.0000000  0.0000000  0.0000000
 0.3660960  0.0000000  0.0000000  0.0000000
 0.6959340  0.0000000  0.0000000  0.0000000
 0.0000000 -0.4210640  0.0000000  0.0000000
 0.0000000  1.2240700  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      1.295480      0.268881      0.077350      0.020700
 
 0.2051320  0.0000000  0.0000000
 0.8825280  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 

B:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
    7    4
 
    116.434000     17.431400      3.680160      2.281870      0.465248
      0.124328      0.031500
 
 0.0629605  0.0000000  0.0000000  0.0000000
 0.3633040  0.0000000  0.0000000  0.0000000
 0.6972550  0.0000000  0.0000000  0.0000000
 0.0000000 -0.3686620  0.0000000  0.0000000
 0.0000000  1.1994400  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      2.281870      0.465248      0.124328      0.031500
 
 0.2311520  0.0000000  0.0000000
 0.8667640  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 

C:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
    7    4
 
    172.256000     25.910900      5.533350      3.664980      0.770545
      0.195857      0.043800
 
 0.0617669  0.0000000  0.0000000  0.0000000
 0.3587940  0.0000000  0.0000000  0.0000000
 0.7007130  0.0000000  0.0000000  0.0000000
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 0.0000000  1.2158400  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      3.664980      0.770545      0.195857      0.043800
 
 0.2364600  0.0000000  0.0000000
 0.8606190  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 

N:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
    7    4
 
    242.766000     36.485100      7.814490      5.425220      1.149150
      0.283205      0.063900
 
 0.0598657  0.0000000  0.0000000  0.0000000
 0.3529550  0.0000000  0.0000000  0.0000000
 0.7065130  0.0000000  0.0000000  0.0000000
 0.0000000 -0.4133010  0.0000000  0.0000000
 0.0000000  1.2244200  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      5.425220      1.149150      0.283205      0.063900
 
 0.2379720  0.0000000  0.0000000
 0.8589530  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 

O:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
    7    4
 
    322.037000     48.430800     10.420600      7.402940      1.576200
      0.373684      0.084500
 
 0.0592394  0.0000000  0.0000000  0.0000000
 0.3515000  0.0000000  0.0000000  0.0000000
 0.7076580  0.0000000  0.0000000  0.0000000
 0.0000000 -0.4044530  0.0000000  0.0000000
 0.0000000  1.2215600  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      7.402940      1.576200      0.373684      0.084500
 
 0.2445860  0.0000000  0.0000000
 0.8539550  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 

F:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
    7    4
 
    413.801000     62.244600     13.434000      9.777590      2.086170
      0.482383      0.107600
 
 0.0585483  0.0000000  0.0000000  0.0000000
 0.3493080  0.0000000  0.0000000  0.0000000
 0.7096320  0.0000000  0.0000000  0.0000000
 0.0000000 -0.4073270  0.0000000  0.0000000
 0.0000000  1.2231400  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      9.777590      2.086170      0.482383      0.107600
 
 0.2466800  0.0000000  0.0000000
 0.8523210  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 

NE:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
    7    4
 
    515.724000     77.653800     16.813600     12.483000      2.664510
      0.606250      0.130000
 
 0.0581430  0.0000000  0.0000000  0.0000000
 0.3479510  0.0000000  0.0000000  0.0000000
 0.7107140  0.0000000  0.0000000  0.0000000
 0.0000000 -0.4099220  0.0000000  0.0000000
 0.0000000  1.2243100  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     12.483000      2.664510      0.606250      0.130000
 
 0.2474600  0.0000000  0.0000000
 0.8517430  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 

NA:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    4    1
   10    7    1
 
    547.613000     82.067800     17.691700     17.540700      3.793980
      0.906441      0.501824      0.060946      0.024435      0.007600
 
 0.0674911  0.0000000  0.0000000  0.0000000  0.0000000
 0.3935050  0.0000000  0.0000000  0.0000000  0.0000000
 0.6656050  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000 -0.1119370  0.0000000  0.0000000  0.0000000
 0.0000000  0.2546540  0.0000000  0.0000000  0.0000000
 0.0000000  0.8444170  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2196600  0.0000000  0.0000000
 0.0000000  0.0000000  1.0891200  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     17.540700      3.793980      0.906441      0.501824      0.060946
      0.024435      0.007600
 
 0.1282330  0.0000000  0.0000000  0.0000000
 0.4715330  0.0000000  0.0000000  0.0000000
 0.6042730  0.0000000  0.0000000  0.0000000
 0.0000000  0.0090665  0.0000000  0.0000000
 0.0000000  0.9972020  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.175000
 
 1.0000000
 

MG:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    4    1
   10    7    1
 
    652.841000     98.380500     21.299600     23.372700      5.199530
      1.315080      0.611349      0.141841      0.046401      0.014600
 
 0.0675982  0.0000000  0.0000000  0.0000000  0.0000000
 0.3917780  0.0000000  0.0000000  0.0000000  0.0000000
 0.6666610  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000 -0.1102460  0.0000000  0.0000000  0.0000000
 0.0000000  0.1841190  0.0000000  0.0000000  0.0000000
 0.0000000  0.8963990  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000 -0.3611010  0.0000000  0.0000000
 0.0000000  0.0000000  1.2150500  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     23.372700      5.199530      1.315080      0.611349      0.141841
      0.046401      0.014600
 
 0.1210140  0.0000000  0.0000000  0.0000000
 0.4628100  0.0000000  0.0000000  0.0000000
 0.6069070  0.0000000  0.0000000  0.0000000
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 0.0000000  0.9866730  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.175000
 
 1.0000000
 

AL:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    4    1
   10    7    1
 
    775.737000    116.952000     25.332600     29.479600      6.633140
      1.726750      0.946160      0.202506      0.063909      0.031800
 
 0.0668347  0.0000000  0.0000000  0.0000000  0.0000000
 0.3890610  0.0000000  0.0000000  0.0000000  0.0000000
 0.6694680  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.1462450  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  1.1841200  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     29.479600      6.633140      1.726750      0.946160      0.202506
      0.063909      0.031800
 
 0.1175740  0.0000000  0.0000000  0.0000000
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 0.6055350  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.325000
 
 1.0000000
 

SI:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    4    1
   10    7    1
 
    910.655000    137.336000     29.760100     36.671600      8.317290
      2.216450      1.079130      0.302422      0.093339      0.033100
 
 0.0660823  0.0000000  0.0000000  0.0000000  0.0000000
 0.3862290  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     36.671600      8.317290      2.216450      1.079130      0.302422
      0.093339      0.033100
 
 0.1133550  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.450000
 
 1.0000000
 

P:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    4    1
   10    7    1
 
   1054.900000    159.195000     34.530400     44.286600     10.101900
      2.739970      1.218650      0.395546      0.122811      0.034800
 
 0.0655410  0.0000000  0.0000000  0.0000000  0.0000000
 0.3840360  0.0000000  0.0000000  0.0000000  0.0000000
 0.6745410  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0815920  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000 -0.3714950  0.0000000  0.0000000
 0.0000000  0.0000000  1.2709900  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     44.286600     10.101900      2.739970      1.218650      0.395546
      0.122811      0.034800
 
 0.1108510  0.0000000  0.0000000  0.0000000
 0.4564950  0.0000000  0.0000000  0.0000000
 0.6069360  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.550000
 
 1.0000000
 

S:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    4    1
   10    7    1
 
   1210.620000    182.747000     39.667300     52.223600     11.962900
      3.289110      1.223840      0.457303      0.142269      0.040500
 
 0.0650070  0.0000000  0.0000000  0.0000000  0.0000000
 0.3820400  0.0000000  0.0000000  0.0000000  0.0000000
 0.6765450  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000 -0.1003100  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     52.223600     11.962900      3.289110      1.223840      0.457303
      0.142269      0.040500
 
 0.1096460  0.0000000  0.0000000  0.0000000
 0.4576490  0.0000000  0.0000000  0.0000000
 0.6042610  0.0000000  0.0000000  0.0000000
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 0.0000000  0.8708550  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.650000
 
 1.0000000
 

CL:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    4    1
   10    7    1
 
   1376.400000    207.857000     45.155400     60.801400     13.976500
      3.887100      1.352990      0.526955      0.166714      0.048300
 
 0.0645827  0.0000000  0.0000000  0.0000000  0.0000000
 0.3803630  0.0000000  0.0000000  0.0000000  0.0000000
 0.6781900  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0987639  0.0000000  0.0000000  0.0000000
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 0.0000000  0.9913370  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2224010  0.0000000  0.0000000
 0.0000000  0.0000000  1.1825200  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     60.801400     13.976500      3.887100      1.352990      0.526955
      0.166714      0.048300
 
 0.1085980  0.0000000  0.0000000  0.0000000
 0.4586820  0.0000000  0.0000000  0.0000000
 0.6019620  0.0000000  0.0000000  0.0000000
 0.0000000  0.2192160  0.0000000  0.0000000
 0.0000000  0.8223210  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.750000
 
 1.0000000
 

AR:3-21++G*                                                              
EMSL BASIS SET LIBRARY

  2
    0    1
    5    4
   10    7
 
   1553.710000    234.678000     51.012100     70.045300     16.147300
      4.534920      1.542090      0.607267      0.195373      0.060000
 
 0.0641707  0.0000000  0.0000000  0.0000000  0.0000000
 0.3787970  0.0000000  0.0000000  0.0000000  0.0000000
 0.6797520  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0974661  0.0000000  0.0000000  0.0000000
 0.0000000  0.0390569  0.0000000  0.0000000  0.0000000
 0.0000000  0.9999160  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000 -0.1768660  0.0000000  0.0000000
 0.0000000  0.0000000  1.1469000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     70.045300     16.147300      4.534920      1.542090      0.607267
      0.195373      0.060000
 
 0.1076190  0.0000000  0.0000000  0.0000000
 0.4595760  0.0000000  0.0000000  0.0000000
 0.6000410  0.0000000  0.0000000  0.0000000
 0.0000000  0.2556870  0.0000000  0.0000000
 0.0000000  0.7898420  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 

!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H - Ne: J.S. Binkley, J.A. Pople, W.J. Hehre, J. Am. Chem. Soc. 102 939 (1980)
!                                                                               
!Na - Ar: M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro and W.J. Hehre,    
!         J. Am. Chem. Soc. 104, 2797 (1983).                                   
! K - Ca: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 7, 359 (1986).               
!Ga - Kr: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 7, 359 (1986).               
!Sc - Zn: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 8, 861 (1987).               
! Y - Cd: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 8, 880 (1987).               
!Cs     : A 3-21G quality set derived from the Huzinage MIDI basis sets.        
!         E.D. Glendening and D. Feller, J. Phys. Chem. (to be published)

H:3-21G                                                                 
EMSL BASIS SET LIBRARY

  1
    0
    2
    3
 
      5.447178      0.824547      0.183192
 
 0.1562850  0.0000000
 0.9046910  0.0000000
 0.0000000  1.0000000
 

HE:3-21G                                                                 
EMSL BASIS SET LIBRARY

  1
    0
    2
    3
 
     13.626700      1.999350      0.382993
 
 0.1752300  0.0000000
 0.8934830  0.0000000
 0.0000000  1.0000000
 

LI:3-21G                                                                 
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    6    3
 
     36.838200      5.481720      1.113270      0.540205      0.102255
      0.028565
 
 0.0696686  0.0000000  0.0000000
 0.3813460  0.0000000  0.0000000
 0.6817020  0.0000000  0.0000000
 0.0000000 -0.2631270  0.0000000
 0.0000000  1.1433900  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.540205      0.102255      0.028565
 
 0.1615460  0.0000000
 0.9156630  0.0000000
 0.0000000  1.0000000
 

BE:3-21G                                                                 
EMSL BASIS SET LIBRARY

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B:3-21G                                                                 
EMSL BASIS SET LIBRARY

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C:3-21G                                                                 
EMSL BASIS SET LIBRARY

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N:3-21G                                                                 
EMSL BASIS SET LIBRARY

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O:3-21G                                                                 
EMSL BASIS SET LIBRARY

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F:3-21G                                                                 
EMSL BASIS SET LIBRARY

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NE:3-21G                                                                 
EMSL BASIS SET LIBRARY

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NA:3-21G                                                                 
EMSL BASIS SET LIBRARY

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MG:3-21G                                                                 
EMSL BASIS SET LIBRARY

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AL:3-21G                                                                 
EMSL BASIS SET LIBRARY

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SI:3-21G                                                                 
EMSL BASIS SET LIBRARY

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P:3-21G                                                                 
EMSL BASIS SET LIBRARY

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S:3-21G                                                                 
EMSL BASIS SET LIBRARY

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CL:3-21G                                                                 
EMSL BASIS SET LIBRARY

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AR:3-21G                                                                 
EMSL BASIS SET LIBRARY

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K:3-21G                                                                 
EMSL BASIS SET LIBRARY

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CA:3-21G                                                                 
EMSL BASIS SET LIBRARY

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SC:3-21G                                                                 
EMSL BASIS SET LIBRARY

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TI:3-21G                                                                 
EMSL BASIS SET LIBRARY

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V:3-21G                                                                 
EMSL BASIS SET LIBRARY

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CR:3-21G                                                                 
EMSL BASIS SET LIBRARY

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MN:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   3041.686000    460.090100    100.595800    131.767300     28.569150
      8.660501      8.569081      2.768178      0.887288      0.767443
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FE:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   12    9    3
 
   3299.184000    499.088600    109.161400    143.465200     31.168580
      9.483612      9.464565      3.100373      0.986493      0.853412
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CO:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   12    9    3
 
   3564.762000    539.390800    118.044900    155.438200     33.815610
     10.333230     10.381520      3.382714      1.076954      0.909015
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NI:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   12    9    3
 
   3848.005000    582.030700    127.367400    168.289600     36.656330
     11.232120     11.358770      3.738846      1.182463      0.988904
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CU:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   12    9    3
 
   4134.302000    625.491200    136.955600    181.496000     39.574310
     12.162460     12.351110      4.049651      1.279225      1.049804
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ZN:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   12    9    3
 
   4432.288000    670.660100    146.902400    195.004200     42.568890
     13.121430     13.402310      4.399906      1.385148      1.121558
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GA:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   4751.897900    718.920540    157.445920    209.583400     45.691710
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GE:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   5073.749900    767.724170    168.188810    224.436000     48.955430
     15.183700     15.912570      5.441437      1.742603      1.466538
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AS:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   5407.613800    818.174360    179.265690    237.778300     54.256620
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SE:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   5751.321500    870.257210    190.729490    255.016400     55.576540
     17.356610     18.445680      6.328759      2.096758      1.872633
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BR:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   6103.289900    923.697430    202.520310    270.601500     58.253570
     18.469330     19.761420      6.821752      2.291629      2.131206
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KR:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
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   6446.630700    976.875700    214.479550    287.644600     62.620090
     19.691740     21.123210      7.303286      2.488850      2.361374
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    287.644600     62.620090     19.691740     21.123210      7.303286
      2.488850      2.361374      0.586016      0.194447
 
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     37.368103      9.854313      2.732795
 
 0.1479470
 0.5121720
 0.5729500
 

RB:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    1
   15   12    3
 
   6816.722500   1033.000700    226.908610    304.128300     66.260580
     20.919450     22.465330      7.877468      2.705271      2.692116
      0.723056      0.259838      0.189714      0.033997      0.014712
 
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    304.128300     66.260580     20.919450     22.465330      7.877468
      2.705271      2.692116      0.723056      0.259838      0.189714
      0.033997      0.014712
 
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     40.866031     10.840885      3.050834
 
 0.1466040
 0.5127250
 0.5699800
 

SR:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    1
   15   12    3
 
   7215.473500   1092.851900    239.981820    322.124600     70.090460
     22.176410     23.927630      8.475114      2.942934      2.940966
      0.852356      0.321537      0.348042      0.048177      0.021803
 
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    322.124600     70.090460     22.176410     23.927630      8.475114
      2.942934      2.940966      0.852356      0.321537      0.348042
      0.048177      0.021803
 
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     44.566115     11.881489      3.387558
 
 0.1451270
 0.5130680
 0.5676640
 

Y:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    3
   15   12    6
 
   7646.421000   1156.863000    253.715200    341.854000     74.209860
     23.513520     18.862600     16.454050      3.484500      3.221733
      1.050705      0.392592      0.432764      0.057012      0.023754
 
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    341.854000     74.209860     23.513520     18.862600     16.454050
      3.484500      3.221733      1.050705      0.392592      0.432764
      0.057012      0.023754
 
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     50.353750     13.530780      3.944996      1.530137      0.630067
      0.216588
 
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 0.5788600  0.0000000  0.0000000
 0.0000000  0.3384030  0.0000000
 0.0000000  0.7293290  0.0000000
 0.0000000  0.0000000  1.0000000
 

ZR:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    3
   15   12    6
 
   8084.592000   1221.668000    267.691700    361.021200     78.304950
     24.845230     20.006280     17.574150      3.742985      3.554788
      1.178992      0.444697      0.505049      0.062116      0.025580
 
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    361.021200     78.304950     24.845230     20.006280     17.574150
      3.742985      3.554788      1.178992      0.444697      0.505049
      0.062116      0.025580
 
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     54.723230     14.774160      4.358961      1.862842      0.643313
      0.199395
 
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 0.0000000  0.7972070  0.0000000
 0.0000000  0.0000000  1.0000000
 

NB:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    3
   15   12    6
 
   8466.517000   1281.261000    281.231100    379.472900     82.335890
     26.222480     21.162940     18.589780      4.009981      3.836375
      1.303325      0.493431      0.572373      0.068203      0.027157
 
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    379.472900     82.335890     26.222480     21.162940     18.589780
      4.009981      3.836375      1.303325      0.493431      0.572373
      0.068203      0.027157
 
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     59.012190     16.012790      4.777185      1.970443      0.661935
      0.205997
 
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 0.0000000  0.0000000  1.0000000
 

MO:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    3
   15   12    6
 
   8899.491000   1346.764000    295.635200    399.313900     86.593560
     27.639040     22.502920     19.491710      4.278180      4.163021
      1.435305      0.543782      0.631801      0.073258      0.028025
 
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    399.313900     86.593560     27.639040     22.502920     19.491710
      4.278180      4.163021      1.435305      0.543782      0.631801
      0.073258      0.028025
 
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     63.780450     17.373580      5.230784      2.270937      0.754653
      0.235142
 
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 0.0000000  0.0000000  1.0000000
 

TC:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    3
   15   12    6
 
   9329.482000   1412.506000    310.264300    418.817500     91.250780
     29.112120     25.910640     23.267700      4.707083      4.441138
      1.595639      0.595560      0.673881      0.077241      0.028696
 
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    418.817500     91.250780     29.112120     25.910640     23.267700
      4.707083      4.441138      1.595639      0.595560      0.673881
      0.077241      0.028696
 
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     68.783750     18.803890      5.705228      2.599164      0.862276
      0.270607
 
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 0.0000000  0.3092190  0.0000000
 0.0000000  0.7829060  0.0000000
 0.0000000  0.0000000  1.0000000
 

RU:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    3
   15   12    6
 
   9786.161000   1481.477000    325.412200    439.866500     95.762730
     30.605660     27.277370     24.510820      5.008946      4.765812
      1.734531      0.646636      0.740662      0.082171      0.030097
 
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    439.866500     95.762730     30.605660     27.277370     24.510820
      5.008946      4.765812      1.734531      0.646636      0.740662
      0.082171      0.030097
 
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     73.983300     20.281490      6.194298      2.889108      0.953961
      0.295881
 
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 0.0000000  0.3159940  0.0000000
 0.0000000  0.7780660  0.0000000
 0.0000000  0.0000000  1.0000000
 

RH:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    3
   15   12    6
 
  10217.710000   1548.412000    340.499000    460.759300    100.328900
     32.139710     28.793290     25.917680      5.320640      5.109748
      1.875414      0.699558      0.800571      0.087321      0.031407
 
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    460.759300    100.328900     32.139710     28.793290     25.917680
      5.320640      5.109748      1.875414      0.699558      0.800571
      0.087321      0.031407
 
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     79.255970     21.789450      6.697518      3.190908      1.054575
      0.326079
 
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 0.0000000  0.0000000  1.0000000
 

PD:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    3
   15   12    6
 
  10728.740000   1624.074000    356.793700    482.478300    105.059000
     33.681450     30.186540     27.166420      5.635934      5.475374
      1.997604      0.743930      0.890163      0.092821      0.033774
 
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    482.478300    105.059000     33.681450     30.186540     27.166420
      5.635934      5.475374      1.997604      0.743930      0.890163
      0.092821      0.033774
 
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     84.236910     23.249190      7.196760      3.473077      1.148050
      0.354811
 
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 0.0000000  0.3281540  0.0000000
 0.0000000  0.7680270  0.0000000
 0.0000000  0.0000000  1.0000000
 

AG:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    3
   15   12    6
 
  11190.780000   1695.077000    372.675200    504.616200    109.871800
     35.295130     31.568770     28.343970      5.945127      5.800256
      2.127256      0.793551      0.928544      0.097255      0.034933
 
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    504.616200    109.871800     35.295130     31.568770     28.343970
      5.945127      5.800256      2.127256      0.793551      0.928544
      0.097255      0.034933
 
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     89.933350     24.874960      7.738191      3.796557      1.256644
      0.388133
 
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 0.0000000  0.3314260  0.0000000
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 0.0000000  0.0000000  1.0000000
 

CD:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    3
   15   12    6
 
  11686.090000   1770.111000    389.209000    527.600400    114.832900
     36.958290     33.015480     29.545430      6.278508      6.150596
      2.259746      0.841426      0.949069      0.101488      0.035987
 
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    527.600400    114.832900     36.958290     33.015480     29.545430
      6.278508      6.150596      2.259746      0.841426      0.949069
      0.101488      0.035987
 
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     95.472740     26.481960      8.282886      4.082141      1.357279
      0.420831
 
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 0.0000000  0.0000000  1.0000000
 

IN:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    2
   15   12    6
 
  12214.547000   1848.913600    406.368330    550.442300    119.774400
     38.669270     47.029310     22.496420      6.697117      6.572360
      2.502158      0.942025      1.001221      0.165970      0.054340
 
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    550.442300    119.774400     38.669270     47.029310     22.496420
      6.697117      6.572360      2.502158      0.942025      1.001221
      0.165970      0.054340
 
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    102.173560     28.394632      8.924805      4.535364      1.537148
      0.499492
 
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 0.0000000  0.2508570
 0.0000000  0.5693110
 0.0000000  0.3840640
 

SN:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    2
   15   12    6
 
  12741.674000   1928.469200    423.807970    574.287500    124.953700
     40.395760     48.806620     23.835880      7.048296      6.973378
      2.693040      1.025958      1.131463      0.203409      0.070564
 
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    574.287500    124.953700     40.395760     48.806620     23.835880
      7.048296      6.973378      2.693040      1.025958      1.131463
      0.203409      0.070564
 
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    108.056300     30.131576      9.530036      4.962610      1.712083
      0.577195
 
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 0.0000000  0.3690390
 

SB:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    2
   15   12    6
 
  13289.383000   2010.521800    441.698150    598.889000    130.038500
     42.132860     51.513330     24.435950      7.420931      7.314235
      2.844053      1.105855      1.278637      0.241232      0.086630
 
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    598.889000    130.038500     42.132860     51.513330     24.435950
      7.420931      7.314235      2.844053      1.105855      1.278637
      0.241232      0.086630
 
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    115.809550     32.305835     10.250328      5.486210      1.921620
      0.666063
 
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 0.0000000  0.2483660
 0.0000000  0.5743150
 0.0000000  0.3643040
 

TE:3-21G                                                                 
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    2
   15   12    6
 
  13796.560000   2088.879800    459.393190    623.263100    135.360000
     44.000480     54.190780     25.820390      7.809583      7.764217
      3.043932      1.199253      1.340364      0.278088      0.096726
 
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    623.263100    135.360000     44.000480     54.190780     25.820390
      7.809583      7.764217      3.043932      1.199253      1.340364
      0.278088      0.096726
 
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    121.408300     34.015217     10.869138      5.803111      2.058066
      0.732830
 
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I:3-21G                                                                 
EMSL BASIS SET LIBRARY

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XE:3-21G                                                                 
EMSL BASIS SET LIBRARY

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CS:3-21G                                                                 
EMSL BASIS SET LIBRARY

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   15    3   12    6
 
  15525.866000   2349.005500    516.235550    687.505050     67.191157
     27.992003     60.168188     10.868694      4.740705      9.887163
      2.369343      1.141676      1.769078      0.383620      0.171306
 
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      0.211849      0.040324      0.017058

-0.2750220  0.0000000
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   1024.283300    239.648890     71.255548    139.458640     25.810810
     10.139452      4.324244      1.936415      0.814505      0.594584
      0.274992      0.111553
 
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    144.051390     40.505146     13.086244      7.371578      2.724824
      1.026678
 
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!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H - Ne: J.S. Binkley, J.A. Pople, W.J. Hehre, J. Am. Chem. Soc. 102 939 (1980)
!                                                                               
!Na - Ar: M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro and W.J. Hehre,    
!         J. Am. Chem. Soc. 104, 2797 (1983).                                   
! K - Ca: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 7, 359 (1986).               
!Ga - Kr: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 7, 359 (1986).               
!Sc - Zn: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 8, 861 (1987).               
! Y - Cd: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 8, 880 (1987).               
!Cs     : A 3-21G quality set derived from the Huzinage MIDI basis sets.        
!         E.D. Glendening and D. Feller, J. Phys. Chem. (to be published)
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             Reference                                 
!--------                             ----------                                
!H, Li-Cl: T. Clark, J. Chandrasekhar, P.V.R. Schleyer, J. Comp. Chem. 4, 294   
!          (1983).

H:3-21++G                                                               
EMSL BASIS SET LIBRARY

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HE:3-21++G                                                               
EMSL BASIS SET LIBRARY

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LI:3-21++G                                                               
EMSL BASIS SET LIBRARY

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BE:3-21++G                                                               
EMSL BASIS SET LIBRARY

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B:3-21++G                                                               
EMSL BASIS SET LIBRARY

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C:3-21++G                                                               
EMSL BASIS SET LIBRARY

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N:3-21++G                                                               
EMSL BASIS SET LIBRARY

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O:3-21++G                                                               
EMSL BASIS SET LIBRARY

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F:3-21++G                                                               
EMSL BASIS SET LIBRARY

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NE:3-21++G                                                               
EMSL BASIS SET LIBRARY

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NA:3-21++G                                                               
EMSL BASIS SET LIBRARY

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MG:3-21++G                                                               
EMSL BASIS SET LIBRARY

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AL:3-21++G                                                               
EMSL BASIS SET LIBRARY

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SI:3-21++G                                                               
EMSL BASIS SET LIBRARY

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P:3-21++G                                                               
EMSL BASIS SET LIBRARY

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      2.739970      1.218650      0.395546      0.122811      0.034800
 
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 0.3840360  0.0000000  0.0000000  0.0000000  0.0000000
 0.6745410  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000 -0.1021300  0.0000000  0.0000000  0.0000000
 0.0000000  0.0815920  0.0000000  0.0000000  0.0000000
 0.0000000  0.9697880  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000 -0.3714950  0.0000000  0.0000000
 0.0000000  0.0000000  1.2709900  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     44.286600     10.101900      2.739970      1.218650      0.395546
      0.122811      0.034800
 
 0.1108510  0.0000000  0.0000000  0.0000000
 0.4564950  0.0000000  0.0000000  0.0000000
 0.6069360  0.0000000  0.0000000  0.0000000
 0.0000000  0.0915820  0.0000000  0.0000000
 0.0000000  0.9349240  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 

S:3-21++G                                                               
EMSL BASIS SET LIBRARY

  2
    0    1
    5    4
   10    7
 
   1210.620000    182.747000     39.667300     52.223600     11.962900
      3.289110      1.223840      0.457303      0.142269      0.040500
 
 0.0650070  0.0000000  0.0000000  0.0000000  0.0000000
 0.3820400  0.0000000  0.0000000  0.0000000  0.0000000
 0.6765450  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000 -0.1003100  0.0000000  0.0000000  0.0000000
 0.0000000  0.0650880  0.0000000  0.0000000  0.0000000
 0.0000000  0.9814550  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2860890  0.0000000  0.0000000
 0.0000000  0.0000000  1.2280600  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     52.223600     11.962900      3.289110      1.223840      0.457303
      0.142269      0.040500
 
 0.1096460  0.0000000  0.0000000  0.0000000
 0.4576490  0.0000000  0.0000000  0.0000000
 0.6042610  0.0000000  0.0000000  0.0000000
 0.0000000  0.1647770  0.0000000  0.0000000
 0.0000000  0.8708550  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 

CL:3-21++G                                                               
EMSL BASIS SET LIBRARY

  2
    0    1
    5    4
   10    7
 
   1376.400000    207.857000     45.155400     60.801400     13.976500
      3.887100      1.352990      0.526955      0.166714      0.048300
 
 0.0645827  0.0000000  0.0000000  0.0000000  0.0000000
 0.3803630  0.0000000  0.0000000  0.0000000  0.0000000
 0.6781900  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0987639  0.0000000  0.0000000  0.0000000
 0.0000000  0.0511338  0.0000000  0.0000000  0.0000000
 0.0000000  0.9913370  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2224010  0.0000000  0.0000000
 0.0000000  0.0000000  1.1825200  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     60.801400     13.976500      3.887100      1.352990      0.526955
      0.166714      0.048300
 
 0.1085980  0.0000000  0.0000000  0.0000000
 0.4586820  0.0000000  0.0000000  0.0000000
 0.6019620  0.0000000  0.0000000  0.0000000
 0.0000000  0.2192160  0.0000000  0.0000000
 0.0000000  0.8223210  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 

AR:3-21++G                                                               
EMSL BASIS SET LIBRARY

  2
    0    1
    5    4
   10    7
 
   1553.710000    234.678000     51.012100     70.045300     16.147300
      4.534920      1.542090      0.607267      0.195373      0.060000
 
 0.0641707  0.0000000  0.0000000  0.0000000  0.0000000
 0.3787970  0.0000000  0.0000000  0.0000000  0.0000000
 0.6797520  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0974661  0.0000000  0.0000000  0.0000000
 0.0000000  0.0390569  0.0000000  0.0000000  0.0000000
 0.0000000  0.9999160  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000 -0.1768660  0.0000000  0.0000000
 0.0000000  0.0000000  1.1469000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     70.045300     16.147300      4.534920      1.542090      0.607267
      0.195373      0.060000
 
 0.1076190  0.0000000  0.0000000  0.0000000
 0.4595760  0.0000000  0.0000000  0.0000000
 0.6000410  0.0000000  0.0000000  0.0000000
 0.0000000  0.2556870  0.0000000  0.0000000
 0.0000000  0.7898420  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H - Ne: J.S. Binkley, J.A. Pople, W.J. Hehre, J. Am. Chem. Soc. 102 939 (1980)
!                                                                               
!Na - Ar: M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro and W.J. Hehre,    
!         J. Am. Chem. Soc. 104, 2797 (1983).                                   
! K - Ca: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 7, 359 (1986).               
!Ga - Kr: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 7, 359 (1986).               
!Sc - Zn: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 8, 861 (1987).               
! Y - Cd: K.D. Dobbs, W.J. Hehre, J. Comput. Chem. 8, 880 (1987).               
!Cs     : A 3-21G quality set derived from the Huzinage MIDI basis sets.        
!         E.D. Glendening and D. Feller, J. Phys. Chem. (to be published)
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             Reference                                 
!--------                             ----------                                
!Na - Ar:  W.J. Pietro, M.M. Francl, W.J. Hehre, D.J. DeFrees, J.A. Pople and   
!          J.S. Binkley, J. Am. Chem. Soc. 104, 5039 (1982)

H:3-21G*                                                                
EMSL BASIS SET LIBRARY

  1
    0
    2
    3
 
      5.447178      0.824547      0.183192
 
 0.1562850  0.0000000
 0.9046910  0.0000000
 0.0000000  1.0000000
 

HE:3-21G*                                                                
EMSL BASIS SET LIBRARY

  1
    0
    2
    3
 
     13.626700      1.999350      0.382993
 
 0.1752300  0.0000000
 0.8934830  0.0000000
 0.0000000  1.0000000
 

LI:3-21G*                                                                
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    6    3
 
     36.838200      5.481720      1.113270      0.540205      0.102255
      0.028565
 
 0.0696686  0.0000000  0.0000000
 0.3813460  0.0000000  0.0000000
 0.6817020  0.0000000  0.0000000
 0.0000000 -0.2631270  0.0000000
 0.0000000  1.1433900  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.540205      0.102255      0.028565
 
 0.1615460  0.0000000
 0.9156630  0.0000000
 0.0000000  1.0000000
 

BE:3-21G*                                                                
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    6    3
 
     71.887600     10.728900      2.222050      1.295480      0.268881
      0.077350
 
 0.0644263  0.0000000  0.0000000
 0.3660960  0.0000000  0.0000000
 0.6959340  0.0000000  0.0000000
 0.0000000 -0.4210640  0.0000000
 0.0000000  1.2240700  0.0000000
 0.0000000  0.0000000  1.0000000
 
      1.295480      0.268881      0.077350
 
 0.2051320  0.0000000
 0.8825280  0.0000000
 0.0000000  1.0000000
 

B:3-21G*                                                                
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    6    3
 
    116.434000     17.431400      3.680160      2.281870      0.465248
      0.124328
 
 0.0629605  0.0000000  0.0000000
 0.3633040  0.0000000  0.0000000
 0.6972550  0.0000000  0.0000000
 0.0000000 -0.3686620  0.0000000
 0.0000000  1.1994400  0.0000000
 0.0000000  0.0000000  1.0000000
 
      2.281870      0.465248      0.124328
 
 0.2311520  0.0000000
 0.8667640  0.0000000
 0.0000000  1.0000000
 

C:3-21G*                                                                
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    6    3
 
    172.256000     25.910900      5.533350      3.664980      0.770545
      0.195857
 
 0.0617669  0.0000000  0.0000000
 0.3587940  0.0000000  0.0000000
 0.7007130  0.0000000  0.0000000
 0.0000000 -0.3958970  0.0000000
 0.0000000  1.2158400  0.0000000
 0.0000000  0.0000000  1.0000000
 
      3.664980      0.770545      0.195857
 
 0.2364600  0.0000000
 0.8606190  0.0000000
 0.0000000  1.0000000
 

N:3-21G*                                                                
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    6    3
 
    242.766000     36.485100      7.814490      5.425220      1.149150
      0.283205
 
 0.0598657  0.0000000  0.0000000
 0.3529550  0.0000000  0.0000000
 0.7065130  0.0000000  0.0000000
 0.0000000 -0.4133010  0.0000000
 0.0000000  1.2244200  0.0000000
 0.0000000  0.0000000  1.0000000
 
      5.425220      1.149150      0.283205
 
 0.2379720  0.0000000
 0.8589530  0.0000000
 0.0000000  1.0000000
 

O:3-21G*                                                                
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    6    3
 
    322.037000     48.430800     10.420600      7.402940      1.576200
      0.373684
 
 0.0592394  0.0000000  0.0000000
 0.3515000  0.0000000  0.0000000
 0.7076580  0.0000000  0.0000000
 0.0000000 -0.4044530  0.0000000
 0.0000000  1.2215600  0.0000000
 0.0000000  0.0000000  1.0000000
 
      7.402940      1.576200      0.373684
 
 0.2445860  0.0000000
 0.8539550  0.0000000
 0.0000000  1.0000000
 

F:3-21G*                                                                
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    6    3
 
    413.801000     62.244600     13.434000      9.777590      2.086170
      0.482383
 
 0.0585483  0.0000000  0.0000000
 0.3493080  0.0000000  0.0000000
 0.7096320  0.0000000  0.0000000
 0.0000000 -0.4073270  0.0000000
 0.0000000  1.2231400  0.0000000
 0.0000000  0.0000000  1.0000000
 
      9.777590      2.086170      0.482383
 
 0.2466800  0.0000000
 0.8523210  0.0000000
 0.0000000  1.0000000
 

NE:3-21G*                                                                
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    6    3
 
    515.724000     77.653800     16.813600     12.483000      2.664510
      0.606250
 
 0.0581430  0.0000000  0.0000000
 0.3479510  0.0000000  0.0000000
 0.7107140  0.0000000  0.0000000
 0.0000000 -0.4099220  0.0000000
 0.0000000  1.2243100  0.0000000
 0.0000000  0.0000000  1.0000000
 
     12.483000      2.664510      0.606250
 
 0.2474600  0.0000000
 0.8517430  0.0000000
 0.0000000  1.0000000
 

NA:3-21G*                                                                
EMSL BASIS SET LIBRARY

  3
    0    1    2
    4    3    1
    9    6    1
 
    547.613000     82.067800     17.691700     17.540700      3.793980
      0.906441      0.501824      0.060946      0.024435
 
 0.0674911  0.0000000  0.0000000  0.0000000
 0.3935050  0.0000000  0.0000000  0.0000000
 0.6656050  0.0000000  0.0000000  0.0000000
 0.0000000 -0.1119370  0.0000000  0.0000000
 0.0000000  0.2546540  0.0000000  0.0000000
 0.0000000  0.8444170  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2196600  0.0000000
 0.0000000  0.0000000  1.0891200  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     17.540700      3.793980      0.906441      0.501824      0.060946
      0.024435
 
 0.1282330  0.0000000  0.0000000
 0.4715330  0.0000000  0.0000000
 0.6042730  0.0000000  0.0000000
 0.0000000  0.0090665  0.0000000
 0.0000000  0.9972020  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.175000
 
 1.0000000
 

MG:3-21G*                                                                
EMSL BASIS SET LIBRARY

  3
    0    1    2
    4    3    1
    9    6    1
 
    652.841000     98.380500     21.299600     23.372700      5.199530
      1.315080      0.611349      0.141841      0.046401
 
 0.0675982  0.0000000  0.0000000  0.0000000
 0.3917780  0.0000000  0.0000000  0.0000000
 0.6666610  0.0000000  0.0000000  0.0000000
 0.0000000 -0.1102460  0.0000000  0.0000000
 0.0000000  0.1841190  0.0000000  0.0000000
 0.0000000  0.8963990  0.0000000  0.0000000
 0.0000000  0.0000000 -0.3611010  0.0000000
 0.0000000  0.0000000  1.2150500  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     23.372700      5.199530      1.315080      0.611349      0.141841
      0.046401
 
 0.1210140  0.0000000  0.0000000
 0.4628100  0.0000000  0.0000000
 0.6069070  0.0000000  0.0000000
 0.0000000  0.0242633  0.0000000
 0.0000000  0.9866730  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.175000
 
 1.0000000
 

AL:3-21G*                                                                
EMSL BASIS SET LIBRARY

  3
    0    1    2
    4    3    1
    9    6    1
 
    775.737000    116.952000     25.332600     29.479600      6.633140
      1.726750      0.946160      0.202506      0.063909
 
 0.0668347  0.0000000  0.0000000  0.0000000
 0.3890610  0.0000000  0.0000000  0.0000000
 0.6694680  0.0000000  0.0000000  0.0000000
 0.0000000 -0.1079020  0.0000000  0.0000000
 0.0000000  0.1462450  0.0000000  0.0000000
 0.0000000  0.9237300  0.0000000  0.0000000
 0.0000000  0.0000000 -0.3203270  0.0000000
 0.0000000  0.0000000  1.1841200  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     29.479600      6.633140      1.726750      0.946160      0.202506
      0.063909
 
 0.1175740  0.0000000  0.0000000
 0.4611740  0.0000000  0.0000000
 0.6055350  0.0000000  0.0000000
 0.0000000  0.0519383  0.0000000
 0.0000000  0.9726600  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.325000
 
 1.0000000
 

SI:3-21G*                                                                
EMSL BASIS SET LIBRARY

  3
    0    1    2
    4    3    1
    9    6    1
 
    910.655000    137.336000     29.760100     36.671600      8.317290
      2.216450      1.079130      0.302422      0.093339
 
 0.0660823  0.0000000  0.0000000  0.0000000
 0.3862290  0.0000000  0.0000000  0.0000000
 0.6723800  0.0000000  0.0000000  0.0000000
 0.0000000 -0.1045110  0.0000000  0.0000000
 0.0000000  0.1074100  0.0000000  0.0000000
 0.0000000  0.9514460  0.0000000  0.0000000
 0.0000000  0.0000000 -0.3761080  0.0000000
 0.0000000  0.0000000  1.2516500  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     36.671600      8.317290      2.216450      1.079130      0.302422
      0.093339
 
 0.1133550  0.0000000  0.0000000
 0.4575780  0.0000000  0.0000000
 0.6074270  0.0000000  0.0000000
 0.0000000  0.0671030  0.0000000
 0.0000000  0.9568830  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.450000
 
 1.0000000
 

P:3-21G*                                                                
EMSL BASIS SET LIBRARY

  3
    0    1    2
    4    3    1
    9    6    1
 
   1054.900000    159.195000     34.530400     44.286600     10.101900
      2.739970      1.218650      0.395546      0.122811
 
 0.0655410  0.0000000  0.0000000  0.0000000
 0.3840360  0.0000000  0.0000000  0.0000000
 0.6745410  0.0000000  0.0000000  0.0000000
 0.0000000 -0.1021300  0.0000000  0.0000000
 0.0000000  0.0815920  0.0000000  0.0000000
 0.0000000  0.9697880  0.0000000  0.0000000
 0.0000000  0.0000000 -0.3714950  0.0000000
 0.0000000  0.0000000  1.2709900  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     44.286600     10.101900      2.739970      1.218650      0.395546
      0.122811
 
 0.1108510  0.0000000  0.0000000
 0.4564950  0.0000000  0.0000000
 0.6069360  0.0000000  0.0000000
 0.0000000  0.0915820  0.0000000
 0.0000000  0.9349240  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.550000
 
 1.0000000
 

S:3-21G*                                                                
EMSL BASIS SET LIBRARY

  3
    0    1    2
    4    3    1
    9    6    1
 
   1210.620000    182.747000     39.667300     52.223600     11.962900
      3.289110      1.223840      0.457303      0.142269
 
 0.0650070  0.0000000  0.0000000  0.0000000
 0.3820400  0.0000000  0.0000000  0.0000000
 0.6765450  0.0000000  0.0000000  0.0000000
 0.0000000 -0.1003100  0.0000000  0.0000000
 0.0000000  0.0650880  0.0000000  0.0000000
 0.0000000  0.9814550  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2860890  0.0000000
 0.0000000  0.0000000  1.2280600  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     52.223600     11.962900      3.289110      1.223840      0.457303
      0.142269
 
 0.1096460  0.0000000  0.0000000
 0.4576490  0.0000000  0.0000000
 0.6042610  0.0000000  0.0000000
 0.0000000  0.1647770  0.0000000
 0.0000000  0.8708550  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.650000
 
 1.0000000
 

CL:3-21G*                                                                
EMSL BASIS SET LIBRARY

  3
    0    1    2
    4    3    1
    9    6    1
 
   1376.400000    207.857000     45.155400     60.801400     13.976500
      3.887100      1.352990      0.526955      0.166714
 
 0.0645827  0.0000000  0.0000000  0.0000000
 0.3803630  0.0000000  0.0000000  0.0000000
 0.6781900  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0987639  0.0000000  0.0000000
 0.0000000  0.0511338  0.0000000  0.0000000
 0.0000000  0.9913370  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2224010  0.0000000
 0.0000000  0.0000000  1.1825200  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     60.801400     13.976500      3.887100      1.352990      0.526955
      0.166714
 
 0.1085980  0.0000000  0.0000000
 0.4586820  0.0000000  0.0000000
 0.6019620  0.0000000  0.0000000
 0.0000000  0.2192160  0.0000000
 0.0000000  0.8223210  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.750000
 
 1.0000000
 

!
!  REFERENCE
!Elements                             References
!--------                             ----------
!H, C - F: R. Ditchfield, W.J. Hehre and J.A. Pople, J. Chem. Phys. 54, 724
!          (1971).
!He, Ne:   Gaussian 90
!Li, Be:   These are actually 5-21G basis sets.
!Na - Ar:  M.S. Gordon, J.S. Binkley, J.A. Pople, W.J. Pietro and W.J. Hehre,
!          J. Am. Chem. Soc. 104, 2797 (1983).

H:4-31G
EMSL BASIS SET LIBRARY

  1
    0
    2
    4

     18.731137      2.825394      0.640122      0.161278

 0.0334946  0.0000000
 0.2347269  0.0000000
 0.8137573  0.0000000
 0.0000000  1.0000000


HE:4-31G
EMSL BASIS SET LIBRARY

  1
    0
    2
    4

     38.421634      5.778030      1.241774      0.297964

 0.0237660  0.0000000
 0.1546790  0.0000000
 0.4696300  0.0000000
 0.0000000  1.0000000


LI:4-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    8    3

    275.394440     41.435175      9.366994      2.537725      0.746637
      0.734564      0.087198      0.040439

 0.0061219  0.0000000  0.0000000
 0.0451130  0.0000000  0.0000000
 0.1926942  0.0000000  0.0000000
 0.4685442  0.0000000  0.0000000
 0.4406075  0.0000000  0.0000000
 0.0000000 -0.2525368  0.0000000
 0.0000000  1.0973408  0.0000000
 0.0000000  0.0000000  1.0000000

      0.734564      0.087198      0.040439

 0.1435917  0.0000000
 0.9478031  0.0000000
 0.0000000  1.0000000


BE:4-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    8    3

    275.394440     41.435175      9.366994      2.537725      0.746637
      0.734564      0.087198      0.040439

 0.0061218  0.0000000  0.0000000
 0.0451130  0.0000000  0.0000000
 0.1926942  0.0000000  0.0000000
 0.4685442  0.0000000  0.0000000
 0.4406075  0.0000000  0.0000000
 0.0000000 -0.2525368  0.0000000
 0.0000000  1.0973408  0.0000000
 0.0000000  0.0000000  1.0000000

      0.734564      0.087198      0.040439

 0.1435917  0.0000000
 0.9478031  0.0000000
 0.0000000  1.0000000


B:4-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    8    4

    330.752850     49.843865     11.117054      2.922724      5.681265
      1.454405      0.428379      0.144219

 0.0179942  0.0000000  0.0000000
 0.1246937  0.0000000  0.0000000
 0.4343354  0.0000000  0.0000000
 0.5609794  0.0000000  0.0000000
 0.0000000 -0.1303871  0.0000000
 0.0000000 -0.2514344  0.0000000
 0.0000000  1.2051292  0.0000000
 0.0000000  0.0000000  1.0000000

      5.681265      1.454405      0.428379      0.144219

 0.0637429  0.0000000
 0.2761331  0.0000000
 0.7773866  0.0000000
 0.0000000  1.0000000


C:4-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    8    4

    486.966930     73.371094     16.413458      4.344984      8.673525
      2.096619      0.604651      0.183558

 0.0177258  0.0000000  0.0000000
 0.1234787  0.0000000  0.0000000
 0.4338754  0.0000000  0.0000000
 0.5615042  0.0000000  0.0000000
 0.0000000 -0.1213837  0.0000000
 0.0000000 -0.2273385  0.0000000
 0.0000000  1.1851739  0.0000000
 0.0000000  0.0000000  1.0000000

      8.673525      2.096619      0.604651      0.183558

 0.0635454  0.0000000
 0.2982678  0.0000000
 0.7621032  0.0000000
 0.0000000  1.0000000


N:4-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    8    4

    671.279500    101.201700     22.699970      6.040609     12.393600
      2.922383      0.832528      0.225964

 0.0175983  0.0000000  0.0000000
 0.1228460  0.0000000  0.0000000
 0.4337820  0.0000000  0.0000000
 0.5614180  0.0000000  0.0000000
 0.0000000 -0.1174890  0.0000000
 0.0000000 -0.2139940  0.0000000
 0.0000000  1.1745020  0.0000000
 0.0000000  0.0000000  1.0000000

     12.393600      2.922383      0.832528      0.225964

 0.0640200  0.0000000
 0.3112030  0.0000000
 0.7527482  0.0000000
 0.0000000  1.0000000


O:4-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    8    4

    883.272860    133.129280     29.906408      7.978677     16.194447
      3.780086      1.070984      0.283880

 0.0175506  0.0000000  0.0000000
 0.1228292  0.0000000  0.0000000
 0.4348836  0.0000000  0.0000000
 0.5600108  0.0000000  0.0000000
 0.0000000 -0.1134010  0.0000000
 0.0000000 -0.1772865  0.0000000
 0.0000000  1.1504079  0.0000000
 0.0000000  0.0000000  1.0000000

     16.194447      3.780086      1.070984      0.283880

 0.0685453  0.0000000
 0.3312254  0.0000000
 0.7346079  0.0000000
 0.0000000  1.0000000


F:4-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    8    4

   1126.163000    169.743200     38.181510     10.212040     21.495370
      4.989778      1.403574      0.373032

 0.0174758  0.0000000  0.0000000
 0.1225230  0.0000000  0.0000000
 0.4349990  0.0000000  0.0000000
 0.5598120  0.0000000  0.0000000
 0.0000000 -0.1110570  0.0000000
 0.0000000 -0.1683220  0.0000000
 0.0000000  1.1436260  0.0000000
 0.0000000  0.0000000  1.0000000

     21.495370      4.989778      1.403574      0.373032

 0.0698880  0.0000000
 0.3393880  0.0000000
 0.7279590  0.0000000
 0.0000000  1.0000000


NE:4-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
    8    4

   1397.932100    210.769780     47.467257     12.722626     27.213033
      6.294134      1.760051      0.461867

 0.0174238  0.0000000  0.0000000
 0.1222727  0.0000000  0.0000000
 0.4350142  0.0000000  0.0000000
 0.5597146  0.0000000  0.0000000
 0.0000000 -0.1096094  0.0000000
 0.0000000 -0.1641249  0.0000000
 0.0000000  1.1401516  0.0000000
 0.0000000  0.0000000  1.0000000

     27.213033      6.294134      1.760051      0.461867

 0.0704403  0.0000000
 0.3439930  0.0000000
 0.7245150  0.0000000
 0.0000000  1.0000000


P:4-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
   12    8

   3018.671800    455.127120    102.314730     27.617847    114.429400
     26.582296      7.871889      2.487857     50.750619      1.672862
      0.621097      0.167016

 0.0185213  0.0000000  0.0000000  0.0000000
 0.1299049  0.0000000  0.0000000  0.0000000
 0.4551003  0.0000000  0.0000000  0.0000000
 0.5331319  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0247502  0.0000000  0.0000000
 0.0000000 -0.1350924  0.0000000  0.0000000
 0.0000000  0.2277361  0.0000000  0.0000000
 0.0000000  0.8755931  0.0000000  0.0000000
 0.0000000  0.0000000 -0.0451192  0.0000000
 0.0000000  0.0000000 -0.8504730  0.0000000
 0.0000000  0.0000000  0.1596286  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000

    114.429400     26.582296      7.871889      2.487857     50.750619
      1.672862      0.621097      0.167016

 0.0274140  0.0000000  0.0000000
 0.1690791  0.0000000  0.0000000
 0.4691021  0.0000000  0.0000000
 0.5181531  0.0000000  0.0000000
 0.0000000  0.0037791  0.0000000
 0.0000000 -0.0463438  0.0000000
 0.0000000  0.1033944  0.0000000
 0.0000000  0.0000000  1.0000000


S:4-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
   12    8

   3442.124400    518.913100    116.690900     31.571647    127.440580
     29.747667      8.834664      2.817390      3.729185      1.406770
      0.548110      0.170381

 0.0184921  0.0000000  0.0000000  0.0000000
 0.1298220  0.0000000  0.0000000  0.0000000
 0.4550418  0.0000000  0.0000000  0.0000000
 0.5330084  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0272646  0.0000000  0.0000000
 0.0000000 -0.1424834  0.0000000  0.0000000
 0.0000000  0.2597043  0.0000000  0.0000000
 0.0000000  0.8525473  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2775315  0.0000000
 0.0000000  0.0000000 -0.4576435  0.0000000
 0.0000000  0.0000000  1.4316843  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000

    127.440580     29.747667      8.834664      2.817390      3.729185
      1.406770      0.548110      0.170381

 0.0291520  0.0000000  0.0000000
 0.1779597  0.0000000  0.0000000
 0.4836237  0.0000000  0.0000000
 0.4942553  0.0000000  0.0000000
 0.0000000 -0.0337509  0.0000000
 0.0000000  0.1457110  0.0000000
 0.0000000  0.8982887  0.0000000
 0.0000000  0.0000000  1.0000000


CL:4-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
   12    8

   3910.302600    589.551800    132.593920     35.903542    147.765350
     34.506075     10.286471      3.311147      4.280285      1.641017
      0.614479      0.195659

 0.0183794  0.0000000  0.0000000  0.0000000
 0.1291401  0.0000000  0.0000000  0.0000000
 0.4540448  0.0000000  0.0000000  0.0000000
 0.5344394  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0267433  0.0000000  0.0000000
 0.0000000 -0.1446911  0.0000000  0.0000000
 0.0000000  0.2517035  0.0000000  0.0000000
 0.0000000  0.8598203  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2703963  0.0000000
 0.0000000  0.0000000 -0.3416297  0.0000000
 0.0000000  0.0000000  1.3500245  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000

    147.765350     34.506075     10.286471      3.311147      4.280285
      1.641017      0.614479      0.195659

 0.0288645  0.0000000  0.0000000
 0.1779647  0.0000000  0.0000000
 0.4869998  0.0000000  0.0000000
 0.4890184  0.0000000  0.0000000
 0.0000000 -0.0367028  0.0000000
 0.0000000  0.1918492  0.0000000
 0.0000000  0.8643376  0.0000000
 0.0000000  0.0000000  1.0000000

!
!  REFERENCE
!Elements                             References
!--------                             ----------
! H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56,
!Li - Ne: 2257 (1972).  Note: Li and B come from J.D. Dill and J.A.
!         Pople, J. Chem. Phys. 62, 2921 (1975).
!Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon,
!         D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982)
!         Note: He and Ne are unpublished basis sets taken from the Gaussian
!         program

H:6-31G
EMSL BASIS SET LIBRARY

  1
    0
    2
    4

     18.731137      2.825394      0.640122      0.161278

 0.0334946  0.0000000
 0.2347270  0.0000000
 0.8137573  0.0000000
 0.0000000  1.0000000


HE:6-31G
EMSL BASIS SET LIBRARY

  1
    0
    2
    4

     38.421634      5.778030      1.241774      0.297964

 0.0237660  0.0000000
 0.1546790  0.0000000
 0.4696300  0.0000000
 0.0000000  1.0000000


LI:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
   10    4

    642.418920     96.798515     22.091121      6.201070      1.935118
      0.636736      2.324918      0.632431      0.079053      0.035962

 0.0021426  0.0000000  0.0000000
 0.0162089  0.0000000  0.0000000
 0.0773156  0.0000000  0.0000000
 0.2457860  0.0000000  0.0000000
 0.4701890  0.0000000  0.0000000
 0.3454708  0.0000000  0.0000000
 0.0000000 -0.0350917  0.0000000
 0.0000000 -0.1912328  0.0000000
 0.0000000  1.0839878  0.0000000
 0.0000000  0.0000000  1.0000000

      2.324918      0.632431      0.079053      0.035962

 0.0089415  0.0000000
 0.1410095  0.0000000
 0.9453637  0.0000000
 0.0000000  1.0000000


BE:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
   10    4

   1264.585700    189.936810     43.159089     12.098663      3.806323
      1.272890      3.196463      0.747813      0.219966      0.082310

 0.0019448  0.0000000  0.0000000
 0.0148351  0.0000000  0.0000000
 0.0720906  0.0000000  0.0000000
 0.2371542  0.0000000  0.0000000
 0.4691987  0.0000000  0.0000000
 0.3565202  0.0000000  0.0000000
 0.0000000 -0.1126487  0.0000000
 0.0000000 -0.2295064  0.0000000
 0.0000000  1.1869167  0.0000000
 0.0000000  0.0000000  1.0000000

      3.196463      0.747813      0.219966      0.082310

 0.0559802  0.0000000
 0.2615506  0.0000000
 0.7939723  0.0000000
 0.0000000  1.0000000


B:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
   10    4

   2068.882300    310.649570     70.683033     19.861080      6.299305
      2.127027      4.727971      1.190338      0.359412      0.126751

 0.0018663  0.0000000  0.0000000
 0.0142515  0.0000000  0.0000000
 0.0695516  0.0000000  0.0000000
 0.2325729  0.0000000  0.0000000
 0.4670787  0.0000000  0.0000000
 0.3634314  0.0000000  0.0000000
 0.0000000 -0.1303938  0.0000000
 0.0000000 -0.1307889  0.0000000
 0.0000000  1.1309444  0.0000000
 0.0000000  0.0000000  1.0000000

      4.727971      1.190338      0.359412      0.126751

 0.0745976  0.0000000
 0.3078467  0.0000000
 0.7434568  0.0000000
 0.0000000  1.0000000


C:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
   10    4

   3047.524900    457.369510    103.948690     29.210155      9.286663
      3.163927      7.868272      1.881289      0.544249      0.168714

 0.0018347  0.0000000  0.0000000
 0.0140373  0.0000000  0.0000000
 0.0688426  0.0000000  0.0000000
 0.2321844  0.0000000  0.0000000
 0.4679413  0.0000000  0.0000000
 0.3623120  0.0000000  0.0000000
 0.0000000 -0.1193324  0.0000000
 0.0000000 -0.1608542  0.0000000
 0.0000000  1.1434564  0.0000000
 0.0000000  0.0000000  1.0000000

      7.868272      1.881289      0.544249      0.168714

 0.0689991  0.0000000
 0.3164240  0.0000000
 0.7443083  0.0000000
 0.0000000  1.0000000


N:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
   10    4

   4173.511000    627.457900    142.902100     40.234330     12.820210
      4.390437     11.626358      2.716280      0.772218      0.212031

 0.0018348  0.0000000  0.0000000
 0.0139950  0.0000000  0.0000000
 0.0685870  0.0000000  0.0000000
 0.2322410  0.0000000  0.0000000
 0.4690700  0.0000000  0.0000000
 0.3604550  0.0000000  0.0000000
 0.0000000 -0.1149610  0.0000000
 0.0000000 -0.1691180  0.0000000
 0.0000000  1.1458520  0.0000000
 0.0000000  0.0000000  1.0000000

     11.626358      2.716280      0.772218      0.212031

 0.0675800  0.0000000
 0.3239070  0.0000000
 0.7408950  0.0000000
 0.0000000  1.0000000


O:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
   10    4

   5484.671700    825.234950    188.046960     52.964500     16.897570
      5.799635     15.539616      3.599934      1.013762      0.270006

 0.0018311  0.0000000  0.0000000
 0.0139501  0.0000000  0.0000000
 0.0684451  0.0000000  0.0000000
 0.2327143  0.0000000  0.0000000
 0.4701930  0.0000000  0.0000000
 0.3585209  0.0000000  0.0000000
 0.0000000 -0.1107775  0.0000000
 0.0000000 -0.1480263  0.0000000
 0.0000000  1.1307670  0.0000000
 0.0000000  0.0000000  1.0000000

     15.539616      3.599934      1.013762      0.270006

 0.0708743  0.0000000
 0.3397528  0.0000000
 0.7271586  0.0000000
 0.0000000  1.0000000


F:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
   10    4

   7001.713000   1051.366000    239.285700     67.397450     21.519960
      7.403101     20.847950      4.808308      1.344070      0.358151

 0.0018196  0.0000000  0.0000000
 0.0139160  0.0000000  0.0000000
 0.0684050  0.0000000  0.0000000
 0.2331860  0.0000000  0.0000000
 0.4712670  0.0000000  0.0000000
 0.3566190  0.0000000  0.0000000
 0.0000000 -0.1085070  0.0000000
 0.0000000 -0.1464520  0.0000000
 0.0000000  1.1286890  0.0000000
 0.0000000  0.0000000  1.0000000

     20.847950      4.808308      1.344070      0.358151

 0.0716290  0.0000000
 0.3459120  0.0000000
 0.7224700  0.0000000
 0.0000000  1.0000000


NE:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    3    2
   10    4

   8425.851530   1268.519400    289.621414     81.859004     26.251508
      9.094721     26.532131      6.101755      1.696272      0.445819

 0.0018843  0.0000000  0.0000000
 0.0143369  0.0000000  0.0000000
 0.0701096  0.0000000  0.0000000
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 0.0000000 -0.1071183  0.0000000
 0.0000000 -0.1461638  0.0000000
 0.0000000  1.1277735  0.0000000
 0.0000000  0.0000000  1.0000000

     26.532131      6.101755      1.696272      0.445819

 0.0719096  0.0000000
 0.3495134  0.0000000
 0.7199405  0.0000000
 0.0000000  1.0000000


NA:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
   16   10

   9993.200000   1499.890000    341.951000     94.679700     29.734500
     10.006300    150.963000     35.587800     11.168300      3.902010
      1.381770      0.466382      0.497966      0.084353      0.066635
      0.025954

 0.0019377  0.0000000  0.0000000  0.0000000
 0.0148070  0.0000000  0.0000000  0.0000000
 0.0727060  0.0000000  0.0000000  0.0000000
 0.2526290  0.0000000  0.0000000  0.0000000
 0.4932420  0.0000000  0.0000000  0.0000000
 0.3131690  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0035421  0.0000000  0.0000000
 0.0000000 -0.0439590  0.0000000  0.0000000
 0.0000000 -0.1097521  0.0000000  0.0000000
 0.0000000  0.1873980  0.0000000  0.0000000
 0.0000000  0.6466990  0.0000000  0.0000000
 0.0000000  0.3060580  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2485030  0.0000000
 0.0000000  0.0000000 -0.1317040  0.0000000
 0.0000000  0.0000000  1.2335200  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000

    150.963000     35.587800     11.168300      3.902010      1.381770
      0.466382      0.497966      0.084353      0.066635      0.025954

 0.0050017  0.0000000  0.0000000
 0.0355110  0.0000000  0.0000000
 0.1428250  0.0000000  0.0000000
 0.3386200  0.0000000  0.0000000
 0.4515790  0.0000000  0.0000000
 0.2732710  0.0000000  0.0000000
 0.0000000 -0.0230230  0.0000000
 0.0000000  0.9503590  0.0000000
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 0.0000000  0.0000000  1.0000000


MG:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
   16   10

  11722.800000   1759.930000    400.846000    112.807000     35.999700
     12.182800    189.180000     45.211900     14.356300      5.138860
      1.906520      0.705887      0.929340      0.269035      0.117379
      0.042106

 0.0019778  0.0000000  0.0000000  0.0000000
 0.0151140  0.0000000  0.0000000  0.0000000
 0.0739110  0.0000000  0.0000000  0.0000000
 0.2491910  0.0000000  0.0000000  0.0000000
 0.4879280  0.0000000  0.0000000  0.0000000
 0.3196620  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0032372  0.0000000  0.0000000
 0.0000000 -0.0410080  0.0000000  0.0000000
 0.0000000 -0.1126000  0.0000000  0.0000000
 0.0000000  0.1486330  0.0000000  0.0000000
 0.0000000  0.6164970  0.0000000  0.0000000
 0.0000000  0.3648290  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2122900  0.0000000
 0.0000000  0.0000000 -0.1079850  0.0000000
 0.0000000  0.0000000  1.1758400  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000

    189.180000     45.211900     14.356300      5.138860      1.906520
      0.705887      0.929340      0.269035      0.117379      0.042106

 0.0049281  0.0000000  0.0000000
 0.0349890  0.0000000  0.0000000
 0.1407250  0.0000000  0.0000000
 0.3336420  0.0000000  0.0000000
 0.4449400  0.0000000  0.0000000
 0.2692540  0.0000000  0.0000000
 0.0000000 -0.0224190  0.0000000
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 0.0000000  0.8461810  0.0000000
 0.0000000  0.0000000  1.0000000


AL:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
   16   10

  13983.100000   2098.750000    477.705000    134.360000     42.870900
     14.518900    239.668000     57.441900     18.285900      6.599140
      2.490490      0.944540      1.277900      0.397590      0.160095
      0.055658

 0.0019427  0.0000000  0.0000000  0.0000000
 0.0148600  0.0000000  0.0000000  0.0000000
 0.0728490  0.0000000  0.0000000  0.0000000
 0.2468300  0.0000000  0.0000000  0.0000000
 0.4872580  0.0000000  0.0000000  0.0000000
 0.3234960  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0029262  0.0000000  0.0000000
 0.0000000 -0.0374080  0.0000000  0.0000000
 0.0000000 -0.1144870  0.0000000  0.0000000
 0.0000000  0.1156350  0.0000000  0.0000000
 0.0000000  0.6125950  0.0000000  0.0000000
 0.0000000  0.3937990  0.0000000  0.0000000
 0.0000000  0.0000000 -0.2276060  0.0000000
 0.0000000  0.0000000  0.0014458  0.0000000
 0.0000000  0.0000000  1.0927900  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000

    239.668000     57.441900     18.285900      6.599140      2.490490
      0.944540      1.277900      0.397590      0.160095      0.055658

 0.0046029  0.0000000  0.0000000
 0.0331990  0.0000000  0.0000000
 0.1362820  0.0000000  0.0000000
 0.3304760  0.0000000  0.0000000
 0.4491460  0.0000000  0.0000000
 0.2657040  0.0000000  0.0000000
 0.0000000 -0.0175130  0.0000000
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 0.0000000  0.8049340  0.0000000
 0.0000000  0.0000000  1.0000000


SI:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
   16   10

  16115.900000   2425.580000    553.867000    156.340000     50.068300
     17.017800    292.718000     69.873100     22.336300      8.150390
      3.134580      1.225430      1.727380      0.572922      0.222192
      0.077837

 0.0019595  0.0000000  0.0000000  0.0000000
 0.0149288  0.0000000  0.0000000  0.0000000
 0.0728478  0.0000000  0.0000000  0.0000000
 0.2461300  0.0000000  0.0000000  0.0000000
 0.4859140  0.0000000  0.0000000  0.0000000
 0.3250020  0.0000000  0.0000000  0.0000000
 0.0000000 -0.0027809  0.0000000  0.0000000
 0.0000000 -0.0357146  0.0000000  0.0000000
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    292.718000     69.873100     22.336300      8.150390      3.134580
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P:6-31G
EMSL BASIS SET LIBRARY

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  19413.300000   2909.420000    661.364000    185.759000     59.194300
     20.031000    339.478000     81.010100     25.878000      9.452210
      3.665660      1.467460      2.156230      0.748997      0.283145
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    339.478000     81.010100     25.878000      9.452210      3.665660
      1.467460      2.156230      0.748997      0.283145      0.099832

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S:6-31G
EMSL BASIS SET LIBRARY

  2
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   16   10

  21917.100000   3301.490000    754.146000    212.711000     67.989600
     23.051500    423.735000    100.710000     32.159900     11.807900
      4.631100      1.870250      2.615840      0.922167      0.341287
      0.117167

 0.0018690  0.0000000  0.0000000  0.0000000
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    423.735000    100.710000     32.159900     11.807900      4.631100
      1.870250      2.615840      0.922167      0.341287      0.117167

 0.0040610  0.0000000  0.0000000
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CL:6-31G
EMSL BASIS SET LIBRARY

  2
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  25180.100000   3780.350000    860.474000    242.145000     77.334900
     26.247000    491.765000    116.984000     37.415300     13.783400
      5.452150      2.225880      3.186490      1.144270      0.420377
      0.142657

 0.0018330  0.0000000  0.0000000  0.0000000
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    491.765000    116.984000     37.415300     13.783400      5.452150
      2.225880      3.186490      1.144270      0.420377      0.142657

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AR:6-31G
EMSL BASIS SET LIBRARY

  2
    0    1
    4    3
   16   10

  28348.300000   4257.620000    969.857000    273.263000     87.369500
     29.686700    575.891000    136.816000     43.809800     16.209400
      6.460840      2.651140      3.860280      1.413730      0.516646
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 0.0018253  0.0000000  0.0000000  0.0000000
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 0.3420430  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000 -0.2555920  0.0000000
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    575.891000    136.816000     43.809800     16.209400      6.460840
      2.651140      3.860280      1.413730      0.516646      0.173888

 0.0038066  0.0000000  0.0000000
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!
!  REFERENCE
!Elements                             References
!--------                             ----------
! H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56,
!Li - Ne: 2257 (1972).  Note: Li and B come from J.D. Dill and J.A.
!         Pople, J. Chem. Phys. 62, 2921 (1975).
!Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon,
!         D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982)
!         Note: He and Ne are unpublished basis sets taken from the Gaussian
!         program
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             Reference
!--------                             ----------
!H, Li-Cl: T. Clark, J. Chandrasekhar, P.V.R. Schleyer, J. Comp. Chem. 4, 294
!          (1983).

H:6-31++G
EMSL BASIS SET LIBRARY

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     18.731137      2.825394      0.640122      0.161278      0.036000

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HE:6-31++G
EMSL BASIS SET LIBRARY

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LI:6-31++G
EMSL BASIS SET LIBRARY

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    642.418920     96.798515     22.091121      6.201070      1.935118
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      2.324918      0.632431      0.079053      0.035962      0.007400

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BE:6-31++G
EMSL BASIS SET LIBRARY

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   1264.585700    189.936810     43.159089     12.098663      3.806323
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B:6-31++G
EMSL BASIS SET LIBRARY

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C:6-31++G
EMSL BASIS SET LIBRARY

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N:6-31++G
EMSL BASIS SET LIBRARY

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O:6-31++G
EMSL BASIS SET LIBRARY

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F:6-31++G
EMSL BASIS SET LIBRARY

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NE:6-31++G
EMSL BASIS SET LIBRARY

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   8425.851530   1268.519400    289.621414     81.859004     26.251508
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NA:6-31++G
EMSL BASIS SET LIBRARY

  2
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MG:6-31++G
EMSL BASIS SET LIBRARY

  2
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AL:6-31++G
EMSL BASIS SET LIBRARY

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SI:6-31++G
EMSL BASIS SET LIBRARY

  2
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P:6-31++G
EMSL BASIS SET LIBRARY

  2
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      3.665660      1.467460      2.156230      0.748997      0.283145
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    339.478000     81.010100     25.878000      9.452210      3.665660
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S:6-31++G
EMSL BASIS SET LIBRARY

  2
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  21917.100000   3301.490000    754.146000    212.711000     67.989600
     23.051500    423.735000    100.710000     32.159900     11.807900
      4.631100      1.870250      2.615840      0.922167      0.341287
      0.117167      0.040500

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    423.735000    100.710000     32.159900     11.807900      4.631100
      1.870250      2.615840      0.922167      0.341287      0.117167
      0.040500

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CL:6-31++G
EMSL BASIS SET LIBRARY

  2
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  25180.100000   3780.350000    860.474000    242.145000     77.334900
     26.247000    491.765000    116.984000     37.415300     13.783400
      5.452150      2.225880      3.186490      1.144270      0.420377
      0.142657      0.048300

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    491.765000    116.984000     37.415300     13.783400      5.452150
      2.225880      3.186490      1.144270      0.420377      0.142657
      0.048300

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AR:6-31++G
EMSL BASIS SET LIBRARY

  2
    0    1
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   17   11

  28348.300000   4257.620000    969.857000    273.263000     87.369500
     29.686700    575.891000    136.816000     43.809800     16.209400
      6.460840      2.651140      3.860280      1.413730      0.516646
      0.173888      0.060000

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    575.891000    136.816000     43.809800     16.209400      6.460840
      2.651140      3.860280      1.413730      0.516646      0.173888
      0.060000

 0.0038066  0.0000000  0.0000000  0.0000000
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!
!  REFERENCE
!Elements                             References
!--------                             ----------
! H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56,
!Li - Ne: 2257 (1972).  Note: Li and B come from J.D. Dill and J.A.
!         Pople, J. Chem. Phys. 62, 2921 (1975).
!Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon,
!         D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982)
!         Note: He and Ne are unpublished basis sets taken from the Gaussian
!         program
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!Li - Ne: P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
!Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J.
!         DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982).
!         Note: He and Ne are unpublished basis sets taken from Gaussian.

H:6-31G*
EMSL BASIS SET LIBRARY

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HE:6-31G*
EMSL BASIS SET LIBRARY

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LI:6-31G*
EMSL BASIS SET LIBRARY

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    642.418920     96.798515     22.091121      6.201070      1.935118
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BE:6-31G*
EMSL BASIS SET LIBRARY

  3
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   1264.585700    189.936810     43.159089     12.098663      3.806323
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      3.196463      0.747813      0.219966      0.082310

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B:6-31G*
EMSL BASIS SET LIBRARY

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      2.127027      4.727971      1.190338      0.359412      0.126751

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      4.727971      1.190338      0.359412      0.126751

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      0.600000

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C:6-31G*
EMSL BASIS SET LIBRARY

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      7.868272      1.881289      0.544249      0.168714

 0.0689991  0.0000000
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      0.800000

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N:6-31G*
EMSL BASIS SET LIBRARY

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O:6-31G*
EMSL BASIS SET LIBRARY

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   5484.671700    825.234950    188.046960     52.964500     16.897570
      5.799635     15.539616      3.599934      1.013762      0.270006

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      0.800000

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F:6-31G*
EMSL BASIS SET LIBRARY

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   7001.713000   1051.366000    239.285700     67.397450     21.519960
      7.403101     20.847950      4.808308      1.344070      0.358151

 0.0018196  0.0000000  0.0000000
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      0.800000

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NE:6-31G*
EMSL BASIS SET LIBRARY

  3
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    3    2    1
   10    4    1

   8425.851530   1268.519400    289.621414     81.859004     26.251508
      9.094721     26.532131      6.101755      1.696272      0.445819

 0.0018843  0.0000000  0.0000000
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NA:6-31G*
EMSL BASIS SET LIBRARY

  3
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     10.006300    150.963000     35.587800     11.168300      3.902010
      1.381770      0.466382      0.497966      0.084353      0.066635
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    150.963000     35.587800     11.168300      3.902010      1.381770
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MG:6-31G*
EMSL BASIS SET LIBRARY

  3
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  11722.800000   1759.930000    400.846000    112.807000     35.999700
     12.182800    189.180000     45.211900     14.356300      5.138860
      1.906520      0.705887      0.929340      0.269035      0.117379
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    189.180000     45.211900     14.356300      5.138860      1.906520
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 1.0000000


AL:6-31G*
EMSL BASIS SET LIBRARY

  3
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   16   10    1

  13983.100000   2098.750000    477.705000    134.360000     42.870900
     14.518900    239.668000     57.441900     18.285900      6.599140
      2.490490      0.944540      1.277900      0.397590      0.160095
      0.055658

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    239.668000     57.441900     18.285900      6.599140      2.490490
      0.944540      1.277900      0.397590      0.160095      0.055658

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      0.325000

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SI:6-31G*
EMSL BASIS SET LIBRARY

  3
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   16   10    1

  16115.900000   2425.580000    553.867000    156.340000     50.068300
     17.017800    292.718000     69.873100     22.336300      8.150390
      3.134580      1.225430      1.727380      0.572922      0.222192
      0.077837

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    292.718000     69.873100     22.336300      8.150390      3.134580
      1.225430      1.727380      0.572922      0.222192      0.077837

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      0.450000

 1.0000000


P:6-31G*
EMSL BASIS SET LIBRARY

  3
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  19413.300000   2909.420000    661.364000    185.759000     59.194300
     20.031000    339.478000     81.010100     25.878000      9.452210
      3.665660      1.467460      2.156230      0.748997      0.283145
      0.099832

 0.0018516  0.0000000  0.0000000  0.0000000
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    339.478000     81.010100     25.878000      9.452210      3.665660
      1.467460      2.156230      0.748997      0.283145      0.099832

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      0.550000

 1.0000000


S:6-31G*
EMSL BASIS SET LIBRARY

  3
    0    1    2
    4    3    1
   16   10    1

  21917.100000   3301.490000    754.146000    212.711000     67.989600
     23.051500    423.735000    100.710000     32.159900     11.807900
      4.631100      1.870250      2.615840      0.922167      0.341287
      0.117167

 0.0018690  0.0000000  0.0000000  0.0000000
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    423.735000    100.710000     32.159900     11.807900      4.631100
      1.870250      2.615840      0.922167      0.341287      0.117167

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      0.650000

 1.0000000


CL:6-31G*
EMSL BASIS SET LIBRARY

  3
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    4    3    1
   16   10    1

  25180.100000   3780.350000    860.474000    242.145000     77.334900
     26.247000    491.765000    116.984000     37.415300     13.783400
      5.452150      2.225880      3.186490      1.144270      0.420377
      0.142657

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    491.765000    116.984000     37.415300     13.783400      5.452150
      2.225880      3.186490      1.144270      0.420377      0.142657

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      0.750000

 1.0000000


AR:6-31G*
EMSL BASIS SET LIBRARY

  3
    0    1    2
    4    3    1
   16   10    1

  28348.300000   4257.620000    969.857000    273.263000     87.369500
     29.686700    575.891000    136.816000     43.809800     16.209400
      6.460840      2.651140      3.860280      1.413730      0.516646
      0.173888

 0.0018253  0.0000000  0.0000000  0.0000000
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    575.891000    136.816000     43.809800     16.209400      6.460840
      2.651140      3.860280      1.413730      0.516646      0.173888

 0.0038066  0.0000000  0.0000000
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      0.850000

 1.0000000

!
!  REFERENCE
!Elements                             References
!--------                             ----------
! H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56,
!Li - Ne: 2257 (1972).  Note: Li and B come from J.D. Dill and J.A.
!         Pople, J. Chem. Phys. 62, 2921 (1975).
!Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon,
!         D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982)
!         Note: He and Ne are unpublished basis sets taken from the Gaussian
!         program
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!H,Li - Ne: P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
!
!Na - Ar  : M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J.
!
!           DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982).
!           Note: He and Ne are unpublished basis sets taken from Gaussian.

H:6-31G**
EMSL BASIS SET LIBRARY

  2
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     18.731137      2.825394      0.640122      0.161278

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      1.100000

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HE:6-31G**
EMSL BASIS SET LIBRARY

  2
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     38.421634      5.778030      1.241774      0.297964

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      1.100000

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LI:6-31G**
EMSL BASIS SET LIBRARY

  3
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    642.418920     96.798515     22.091121      6.201070      1.935118
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      2.324918      0.632431      0.079053      0.035962

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      0.200000

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BE:6-31G**
EMSL BASIS SET LIBRARY

  3
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   1264.585700    189.936810     43.159089     12.098663      3.806323
      1.272890      3.196463      0.747813      0.219966      0.082310

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      3.196463      0.747813      0.219966      0.082310

 0.0559802  0.0000000
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      0.400000

 1.0000000


B:6-31G**
EMSL BASIS SET LIBRARY

  3
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   10    4    1

   2068.882300    310.649570     70.683033     19.861080      6.299305
      2.127027      4.727971      1.190338      0.359412      0.126751

 0.0018663  0.0000000  0.0000000
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      4.727971      1.190338      0.359412      0.126751

 0.0745976  0.0000000
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      0.600000

 1.0000000


C:6-31G**
EMSL BASIS SET LIBRARY

  3
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   10    4    1

   3047.524900    457.369510    103.948690     29.210155      9.286663
      3.163927      7.868272      1.881289      0.544249      0.168714

 0.0018347  0.0000000  0.0000000
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      7.868272      1.881289      0.544249      0.168714

 0.0689991  0.0000000
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 0.0000000  1.0000000

      0.800000

 1.0000000


N:6-31G**
EMSL BASIS SET LIBRARY

  3
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   4173.511000    627.457900    142.902100     40.234330     12.820210
      4.390437     11.626358      2.716280      0.772218      0.212031

 0.0018348  0.0000000  0.0000000
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     11.626358      2.716280      0.772218      0.212031

 0.0675800  0.0000000
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      0.800000

 1.0000000


O:6-31G**
EMSL BASIS SET LIBRARY

  3
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    3    2    1
   10    4    1

   5484.671700    825.234950    188.046960     52.964500     16.897570
      5.799635     15.539616      3.599934      1.013762      0.270006

 0.0018311  0.0000000  0.0000000
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     15.539616      3.599934      1.013762      0.270006

 0.0708743  0.0000000
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 0.0000000  1.0000000

      0.800000

 1.0000000


F:6-31G**
EMSL BASIS SET LIBRARY

  3
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    3    2    1
   10    4    1

   7001.713000   1051.366000    239.285700     67.397450     21.519960
      7.403101     20.847950      4.808308      1.344070      0.358151

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NE:6-31G**
EMSL BASIS SET LIBRARY

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NA:6-31G**
EMSL BASIS SET LIBRARY

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MG:6-31G**
EMSL BASIS SET LIBRARY

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AL:6-31G**
EMSL BASIS SET LIBRARY

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SI:6-31G**
EMSL BASIS SET LIBRARY

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P:6-31G**
EMSL BASIS SET LIBRARY

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     20.031000    339.478000     81.010100     25.878000      9.452210
      3.665660      1.467460      2.156230      0.748997      0.283145
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    339.478000     81.010100     25.878000      9.452210      3.665660
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S:6-31G**
EMSL BASIS SET LIBRARY

  3
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  21917.100000   3301.490000    754.146000    212.711000     67.989600
     23.051500    423.735000    100.710000     32.159900     11.807900
      4.631100      1.870250      2.615840      0.922167      0.341287
      0.117167

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    423.735000    100.710000     32.159900     11.807900      4.631100
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      0.650000

 1.0000000


CL:6-31G**
EMSL BASIS SET LIBRARY

  3
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  25180.100000   3780.350000    860.474000    242.145000     77.334900
     26.247000    491.765000    116.984000     37.415300     13.783400
      5.452150      2.225880      3.186490      1.144270      0.420377
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    491.765000    116.984000     37.415300     13.783400      5.452150
      2.225880      3.186490      1.144270      0.420377      0.142657

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      0.750000

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AR:6-31G**
EMSL BASIS SET LIBRARY

  3
    0    1    2
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   16   10    1

  28348.300000   4257.620000    969.857000    273.263000     87.369500
     29.686700    575.891000    136.816000     43.809800     16.209400
      6.460840      2.651140      3.860280      1.413730      0.516646
      0.173888

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    575.891000    136.816000     43.809800     16.209400      6.460840
      2.651140      3.860280      1.413730      0.516646      0.173888

 0.0038066  0.0000000  0.0000000
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      0.850000

 1.0000000

!
!  REFERENCE
!Elements                             References
!--------                             ----------
! H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56,
!Li - Ne: 2257 (1972).  Note: Li and B come from J.D. Dill and J.A.
!         Pople, J. Chem. Phys. 62, 2921 (1975).
!Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon,
!         D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982)
!         Note: He and Ne are unpublished basis sets taken from the Gaussian
!         program
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             Reference
!--------                             ----------
!H, Li-Cl: T. Clark, J. Chandrasekhar, P.V.R. Schleyer, J. Comp. Chem. 4, 294
!          (1983).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!Li - Ne: P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
!Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J.
!         DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982).
!         Note: He and Ne are unpublished basis sets taken from Gaussian.

H:6-31+G*
EMSL BASIS SET LIBRARY

  1
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HE:6-31+G*
EMSL BASIS SET LIBRARY

  1
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LI:6-31+G*
EMSL BASIS SET LIBRARY

  3
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BE:6-31+G*
EMSL BASIS SET LIBRARY

  3
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   1264.585700    189.936810     43.159089     12.098663      3.806323
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      0.020700

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      3.196463      0.747813      0.219966      0.082310      0.020700

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      0.400000

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B:6-31+G*
EMSL BASIS SET LIBRARY

  3
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   2068.882300    310.649570     70.683033     19.861080      6.299305
      2.127027      4.727971      1.190338      0.359412      0.126751
      0.031500

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      4.727971      1.190338      0.359412      0.126751      0.031500

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      0.600000

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C:6-31+G*
EMSL BASIS SET LIBRARY

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   3047.524900    457.369510    103.948690     29.210155      9.286663
      3.163927      7.868272      1.881289      0.544249      0.168714
      0.043800

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O:6-31+G*
EMSL BASIS SET LIBRARY

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NE:6-31+G*
EMSL BASIS SET LIBRARY

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NA:6-31+G*
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MG:6-31+G*
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CL:6-31+G*
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      2.651140      3.860280      1.413730      0.516646      0.173888
      0.060000

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      0.850000

 1.0000000

!
!  REFERENCE
!Elements                             References
!--------                             ----------
! H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56,
!Li - Ne: 2257 (1972).  Note: Li and B come from J.D. Dill and J.A.
!         Pople, J. Chem. Phys. 62, 2921 (1975).
!Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon,
!         D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982)
!         Note: He and Ne are unpublished basis sets taken from the Gaussian
!         program
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             Reference
!--------                             ----------
!H, Li-Cl: T. Clark, J. Chandrasekhar, P.V.R. Schleyer, J. Comp. Chem. 4, 294
!          (1983).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!Li - Ne: P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
!Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J.
!         DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982).
!         Note: He and Ne are unpublished basis sets taken from Gaussian.

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EMSL BASIS SET LIBRARY

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HE:6-31++G*
EMSL BASIS SET LIBRARY

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LI:6-31++G*
EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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    339.478000     81.010100     25.878000      9.452210      3.665660
      1.467460      2.156230      0.748997      0.283145      0.099832
      0.034800

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      0.550000

 1.0000000


S:6-31++G*
EMSL BASIS SET LIBRARY

  3
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  21917.100000   3301.490000    754.146000    212.711000     67.989600
     23.051500    423.735000    100.710000     32.159900     11.807900
      4.631100      1.870250      2.615840      0.922167      0.341287
      0.117167      0.040500

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    423.735000    100.710000     32.159900     11.807900      4.631100
      1.870250      2.615840      0.922167      0.341287      0.117167
      0.040500

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 1.0000000


CL:6-31++G*
EMSL BASIS SET LIBRARY

  3
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  25180.100000   3780.350000    860.474000    242.145000     77.334900
     26.247000    491.765000    116.984000     37.415300     13.783400
      5.452150      2.225880      3.186490      1.144270      0.420377
      0.142657      0.048300

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    491.765000    116.984000     37.415300     13.783400      5.452150
      2.225880      3.186490      1.144270      0.420377      0.142657
      0.048300

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      0.750000

 1.0000000


AR:6-31++G*
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    4    1
   17   11    1

  28348.300000   4257.620000    969.857000    273.263000     87.369500
     29.686700    575.891000    136.816000     43.809800     16.209400
      6.460840      2.651140      3.860280      1.413730      0.516646
      0.173888      0.060000

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    575.891000    136.816000     43.809800     16.209400      6.460840
      2.651140      3.860280      1.413730      0.516646      0.173888
      0.060000

 0.0038066  0.0000000  0.0000000  0.0000000
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      0.850000

 1.0000000

!
!  REFERENCE
!Elements                             References
!--------                             ----------
! H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56,
!Li - Ne: 2257 (1972).  Note: Li and B come from J.D. Dill and J.A.
!         Pople, J. Chem. Phys. 62, 2921 (1975).
!Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon,
!         D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982)
!         Note: He and Ne are unpublished basis sets taken from the Gaussian
!         program
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             Reference
!--------                             ----------
!H, Li-Cl: T. Clark, J. Chandrasekhar, P.V.R. Schleyer, J. Comp. Chem. 4, 294
!          (1983).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!H,Li - Ne: P.C. Hariharan and J.A. Pople, Theoret. Chimica Acta 28, 213 (1973).
!
!Na - Ar  : M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J.
!
!           DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982).
!           Note: He and Ne are unpublished basis sets taken from Gaussian.

H:6-31++G**
EMSL BASIS SET LIBRARY

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     18.731137      2.825394      0.640122      0.161278      0.036000

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HE:6-31++G**
EMSL BASIS SET LIBRARY

  1
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LI:6-31++G**
EMSL BASIS SET LIBRARY

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BE:6-31++G**
EMSL BASIS SET LIBRARY

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B:6-31++G**
EMSL BASIS SET LIBRARY

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      0.600000

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C:6-31++G**
EMSL BASIS SET LIBRARY

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N:6-31++G**
EMSL BASIS SET LIBRARY

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      0.800000

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O:6-31++G**
EMSL BASIS SET LIBRARY

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   5484.671700    825.234950    188.046960     52.964500     16.897570
      5.799635     15.539616      3.599934      1.013762      0.270006
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      0.800000

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F:6-31++G**
EMSL BASIS SET LIBRARY

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   7001.713000   1051.366000    239.285700     67.397450     21.519960
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NE:6-31++G**
EMSL BASIS SET LIBRARY

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   8425.851530   1268.519400    289.621414     81.859004     26.251508
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NA:6-31++G**
EMSL BASIS SET LIBRARY

  3
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MG:6-31++G**
EMSL BASIS SET LIBRARY

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AL:6-31++G**
EMSL BASIS SET LIBRARY

  3
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  13983.100000   2098.750000    477.705000    134.360000     42.870900
     14.518900    239.668000     57.441900     18.285900      6.599140
      2.490490      0.944540      1.277900      0.397590      0.160095
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    239.668000     57.441900     18.285900      6.599140      2.490490
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      0.325000

 1.0000000


SI:6-31++G**
EMSL BASIS SET LIBRARY

  3
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    5    4    1
   17   11    1

  16115.900000   2425.580000    553.867000    156.340000     50.068300
     17.017800    292.718000     69.873100     22.336300      8.150390
      3.134580      1.225430      1.727380      0.572922      0.222192
      0.077837      0.033100

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    292.718000     69.873100     22.336300      8.150390      3.134580
      1.225430      1.727380      0.572922      0.222192      0.077837
      0.033100

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      0.450000

 1.0000000


P:6-31++G**
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    4    1
   17   11    1

  19413.300000   2909.420000    661.364000    185.759000     59.194300
     20.031000    339.478000     81.010100     25.878000      9.452210
      3.665660      1.467460      2.156230      0.748997      0.283145
      0.099832      0.034800

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    339.478000     81.010100     25.878000      9.452210      3.665660
      1.467460      2.156230      0.748997      0.283145      0.099832
      0.034800

 0.0045646  0.0000000  0.0000000  0.0000000
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      0.550000

 1.0000000


S:6-31++G**
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    4    1
   17   11    1

  21917.100000   3301.490000    754.146000    212.711000     67.989600
     23.051500    423.735000    100.710000     32.159900     11.807900
      4.631100      1.870250      2.615840      0.922167      0.341287
      0.117167      0.040500

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    423.735000    100.710000     32.159900     11.807900      4.631100
      1.870250      2.615840      0.922167      0.341287      0.117167
      0.040500

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      0.650000

 1.0000000


CL:6-31++G**
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    4    1
   17   11    1

  25180.100000   3780.350000    860.474000    242.145000     77.334900
     26.247000    491.765000    116.984000     37.415300     13.783400
      5.452150      2.225880      3.186490      1.144270      0.420377
      0.142657      0.048300

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    491.765000    116.984000     37.415300     13.783400      5.452150
      2.225880      3.186490      1.144270      0.420377      0.142657
      0.048300

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      0.750000

 1.0000000


AR:6-31++G**
EMSL BASIS SET LIBRARY

  2
    0    1
    5    4
   17   11

  28348.300000   4257.620000    969.857000    273.263000     87.369500
     29.686700    575.891000    136.816000     43.809800     16.209400
      6.460840      2.651140      3.860280      1.413730      0.516646
      0.173888      0.060000

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    575.891000    136.816000     43.809800     16.209400      6.460840
      2.651140      3.860280      1.413730      0.516646      0.173888
      0.060000

 0.0038066  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  1.0000000

!
!  REFERENCE
!Elements                             References
!--------                             ----------
! H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56,
!Li - Ne: 2257 (1972).  Note: Li and B come from J.D. Dill and J.A.
!         Pople, J. Chem. Phys. 62, 2921 (1975).
!Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon,
!         D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982)
!         Note: He and Ne are unpublished basis sets taken from the Gaussian
!         program
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!H-Ne: M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80, 3265 (1984)

H:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

  3
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     18.731137      2.825394      0.640122      0.161278

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      3.000000      0.750000      0.187500

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      1.000000

 1.0000000


HE:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

  3
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     38.421634      5.778030      1.241774      0.297964

 0.0237660  0.0000000
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      3.000000      0.750000      0.187500

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      2.000000

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LI:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

  4
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    642.418920     96.798515     22.091121      6.201070      1.935118
      0.636736      2.324918      0.632431      0.079053      0.035962

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      2.324918      0.632431      0.079053      0.035962

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      0.800000      0.200000      0.050000

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      0.150000

 1.0000000


BE:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

  4
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    3    2    3    1
   10    4    3    1

   1264.585700    189.936810     43.159089     12.098663      3.806323
      1.272890      3.196463      0.747813      0.219966      0.082310

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      3.196463      0.747813      0.219966      0.082310

 0.0559802  0.0000000
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      1.020000      0.255000      0.063750

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      0.260000

 1.0000000


B:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

  4
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    3    2    3    1
   10    4    3    1

   2068.882300    310.649570     70.683033     19.861080      6.299305
      2.127027      4.727971      1.190338      0.359412      0.126751

 0.0018663  0.0000000  0.0000000
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      4.727971      1.190338      0.359412      0.126751

 0.0745976  0.0000000
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      1.604000      0.401000      0.100250

 1.0000000  0.0000000  0.0000000
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      0.500000

 1.0000000


C:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

  4
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    3    2    3    1
   10    4    3    1

   3047.524900    457.369510    103.948690     29.210155      9.286663
      3.163927      7.868272      1.881289      0.544249      0.168714

 0.0018347  0.0000000  0.0000000
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      7.868272      1.881289      0.544249      0.168714

 0.0689991  0.0000000
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      2.504000      0.626000      0.156500

 1.0000000  0.0000000  0.0000000
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      0.800000

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N:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

  4
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    3    2    3    1
   10    4    3    1

   4173.511000    627.457900    142.902100     40.234330     12.820210
      4.390437     11.626358      2.716280      0.772218      0.212031

 0.0018348  0.0000000  0.0000000
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     11.626358      2.716280      0.772218      0.212031

 0.0675800  0.0000000
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      3.652000      0.913000      0.228250

 1.0000000  0.0000000  0.0000000
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      1.000000

 1.0000000


O:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

  4
    0    1    2    3
    3    2    3    1
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F:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

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NE:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

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NA:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

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MG:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

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AL:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

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SI:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

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P:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

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S:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

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CL:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

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AR:6-31G(3DF,3PD)
EMSL BASIS SET LIBRARY

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!
!  REFERENCE
!Elements                             References
!--------                             ----------
!H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople,
!          J. Chem. Phys. 72, 650 (1980)
!Na - Ar:  A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980).
!Ga - Kr:  L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis,
!          R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995).

H:6-311G
EMSL BASIS SET LIBRARY

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HE:6-311G
EMSL BASIS SET LIBRARY

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LI:6-311G
EMSL BASIS SET LIBRARY

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BE:6-311G
EMSL BASIS SET LIBRARY

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B:6-311G
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C:6-311G
EMSL BASIS SET LIBRARY

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N:6-311G
EMSL BASIS SET LIBRARY

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O:6-311G
EMSL BASIS SET LIBRARY

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F:6-311G
EMSL BASIS SET LIBRARY

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NE:6-311G
EMSL BASIS SET LIBRARY

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NA:6-311G
EMSL BASIS SET LIBRARY

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MG:6-311G
EMSL BASIS SET LIBRARY

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AL:6-311G
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SI:6-311G
EMSL BASIS SET LIBRARY

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P:6-311G
EMSL BASIS SET LIBRARY

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S:6-311G
EMSL BASIS SET LIBRARY

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CL:6-311G
EMSL BASIS SET LIBRARY

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AR:6-311G
EMSL BASIS SET LIBRARY

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GA:6-311G
EMSL BASIS SET LIBRARY

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GE:6-311G
EMSL BASIS SET LIBRARY

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AS:6-311G
EMSL BASIS SET LIBRARY

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SE:6-311G
EMSL BASIS SET LIBRARY

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BR:6-311G
EMSL BASIS SET LIBRARY

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KR:6-311G
EMSL BASIS SET LIBRARY

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     15.120000      5.346000      2.273000     

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   3074.000000    725.700000    231.500000     86.450000     35.550000
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!
!  REFERENCE
!Elements                             References
!--------                             ----------
!H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople,
!          J. Chem. Phys. 72, 650 (1980)
!Na - Ar:  A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980).
!Ga - Kr:  L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis,
!          R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!Li-Ar:  R. Krishnan, J.S. Binkley, R. Seeger, J.A. Pople, J. Chem. Phys. 72,
!        650 (1980).
!Ga-Kr:  L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis, R. C. Binning
!,        Jr., L. Radom, J. Chem. Phys. 103, 6104 (1995)

H:6-311G*
EMSL BASIS SET LIBRARY

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HE:6-311G*
EMSL BASIS SET LIBRARY

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LI:6-311G*
EMSL BASIS SET LIBRARY

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BE:6-311G*
EMSL BASIS SET LIBRARY

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B:6-311G*
EMSL BASIS SET LIBRARY

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C:6-311G*
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N:6-311G*
EMSL BASIS SET LIBRARY

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O:6-311G*
EMSL BASIS SET LIBRARY

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F:6-311G*
EMSL BASIS SET LIBRARY

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NE:6-311G*
EMSL BASIS SET LIBRARY

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NA:6-311G*
EMSL BASIS SET LIBRARY

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MG:6-311G*
EMSL BASIS SET LIBRARY

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AL:6-311G*
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SI:6-311G*
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P:6-311G*
EMSL BASIS SET LIBRARY

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S:6-311G*
EMSL BASIS SET LIBRARY

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CL:6-311G*
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AR:6-311G*
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GA:6-311G*
EMSL BASIS SET LIBRARY

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GE:6-311G*
EMSL BASIS SET LIBRARY

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AS:6-311G*
EMSL BASIS SET LIBRARY

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SE:6-311G*
EMSL BASIS SET LIBRARY

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BR:6-311G*
EMSL BASIS SET LIBRARY

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KR:6-311G*
EMSL BASIS SET LIBRARY

  5
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 456200.000000  68460.000000  15650.000000   4500.000000   1497.000000
    550.500000    550.500000    218.200000     92.970000     34.590000
     15.120000      5.346000      2.273000     

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!
!  REFERENCE
!Elements                             References
!--------                             ----------
!H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople,
!          J. Chem. Phys. 72, 650 (1980)
!Na - Ar:  A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980).
!Ga - Kr:  L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis,
!          R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!H - Ar:  R. Krishnan, J.S. Binkley, R. Seeger, J.A. Pople, J. Chem. Phys. 72,
!         650 (1980)

H:6-311G**
EMSL BASIS SET LIBRARY

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HE:6-311G**
EMSL BASIS SET LIBRARY

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LI:6-311G**
EMSL BASIS SET LIBRARY

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BE:6-311G**
EMSL BASIS SET LIBRARY

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B:6-311G**
EMSL BASIS SET LIBRARY

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GE:6-311G**
EMSL BASIS SET LIBRARY

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AS:6-311G**
EMSL BASIS SET LIBRARY

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SE:6-311G**
EMSL BASIS SET LIBRARY

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BR:6-311G**
EMSL BASIS SET LIBRARY

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KR:6-311G**
EMSL BASIS SET LIBRARY

  5
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 456200.000000  68460.000000  15650.000000   4500.000000   1497.000000
    550.500000    550.500000    218.200000     92.970000     34.590000
     15.120000      5.346000      2.273000     

 0.0008111  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
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      0.484100      0.184900

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      0.119900

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    122.500000     35.370000     12.390000      4.496000      1.546000
      0.395000

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!
!  REFERENCE
!Elements                             References
!--------                             ----------
!H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople,
!          J. Chem. Phys. 72, 650 (1980)
!Na - Ar:  A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980).
!Ga - Kr:  L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis,
!          R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!H - Ar:  R. Krishnan, J.S. Binkley, R. Seeger, J.A. Pople, J. Chem. Phys. 72,
!         650 (1980)
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             Reference
!--------                             ----------
!H, Li-Cl: T. Clark, J. Chandrasekhar, P.V.R. Schleyer, J. Comp. Chem. 4, 294
!          (1983).

H:6-311++G**
EMSL BASIS SET LIBRARY

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HE:6-311++G**
EMSL BASIS SET LIBRARY

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 1.0000000


LI:6-311++G**
EMSL BASIS SET LIBRARY

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BE:6-311++G**
EMSL BASIS SET LIBRARY

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B:6-311++G**
EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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N:6-311++G**
EMSL BASIS SET LIBRARY

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O:6-311++G**
EMSL BASIS SET LIBRARY

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F:6-311++G**
EMSL BASIS SET LIBRARY

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  11427.100000   1722.350000    395.746000    115.139000     33.602600
      4.919010     55.444100     12.632300      3.717560      1.165450
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     55.444100     12.632300      3.717560      1.165450      0.321892
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      1.750000

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NE:6-311++G**
EMSL BASIS SET LIBRARY

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     69.121100     15.835000      4.673260      1.457560      0.397057

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!
!  REFERENCE
!Elements                             References
!--------                             ----------
!H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople,
!          J. Chem. Phys. 72, 650 (1980)
!Na - Ar:  A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980).
!Ga - Kr:  L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis,
!          R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!H-Ne: M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80, 3265 (1984)
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             Reference
!--------                             ----------
!H, Li-Cl: T. Clark, J. Chandrasekhar, P.V.R. Schleyer, J. Comp. Chem. 4, 294
!          (1983).

H:6-311++G(2D,2P)
EMSL BASIS SET LIBRARY

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HE:6-311++G(2D,2P)
EMSL BASIS SET LIBRARY

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LI:6-311++G(2D,2P)
EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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B:6-311++G(2D,2P)
EMSL BASIS SET LIBRARY

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C:6-311++G(2D,2P)
EMSL BASIS SET LIBRARY

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N:6-311++G(2D,2P)
EMSL BASIS SET LIBRARY

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O:6-311++G(2D,2P)
EMSL BASIS SET LIBRARY

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F:6-311++G(2D,2P)
EMSL BASIS SET LIBRARY

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NE:6-311++G(2D,2P)
EMSL BASIS SET LIBRARY

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!
!  REFERENCE
!Elements                             References
!--------                             ----------
!H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople,
!          J. Chem. Phys. 72, 650 (1980)
!Na - Ar:  A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980).
!Ga - Kr:  L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis,
!          R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!H-Ne: M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80, 3265 (1984)

H:6-311G(2DF,2PD)
EMSL BASIS SET LIBRARY

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HE:6-311G(2DF,2PD)
EMSL BASIS SET LIBRARY

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LI:6-311G(2DF,2PD)
EMSL BASIS SET LIBRARY

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BE:6-311G(2DF,2PD)
EMSL BASIS SET LIBRARY

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B:6-311G(2DF,2PD)
EMSL BASIS SET LIBRARY

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C:6-311G(2DF,2PD)
EMSL BASIS SET LIBRARY

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N:6-311G(2DF,2PD)
EMSL BASIS SET LIBRARY

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O:6-311G(2DF,2PD)
EMSL BASIS SET LIBRARY

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F:6-311G(2DF,2PD)
EMSL BASIS SET LIBRARY

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NE:6-311G(2DF,2PD)
EMSL BASIS SET LIBRARY

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!
!  REFERENCE
!Elements                             References
!--------                             ----------
!H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople,
!          J. Chem. Phys. 72, 650 (1980)
!Na - Ar:  A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980).
!Ga - Kr:  L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis,
!          R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
!H-Ne: M.J. Frisch, J.A. Pople and J.S. Binkley, J. Chem. Phys. 80, 3265 (1984)
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             Reference
!--------                             ----------
!H, Li-Cl: T. Clark, J. Chandrasekhar, P.V.R. Schleyer, J. Comp. Chem. 4, 294
!          (1983).

H:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

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HE:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

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LI:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

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EMSL BASIS SET LIBRARY

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B:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

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N:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

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O:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

  4
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F:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

  4
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NE:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

  4
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      2.500000

 1.0000000


NA:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

  5
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   13    1   10    3    1

  36166.400000   5372.580000   1213.210000    339.623000    109.553000
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      0.150000

 1.0000000


MG:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

  5
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 1.0000000


AL:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

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 1.0000000


SI:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

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 1.0000000


P:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

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      0.450000

 1.0000000


S:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

  5
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      0.550000

 1.0000000


CL:6-311++G(3DF,3PD)
EMSL BASIS SET LIBRARY

  5
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EMSL BASIS SET LIBRARY

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      3.400000      0.850000      0.212500

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!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
!H - Kr: A. Schafer, H. Horn and R. Ahlrichs, J. Chem. Phys. 97, 2571 (1992).

H:AHLRICHS-VDZ                                                              
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HE:AHLRICHS-VDZ                                                              
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LI:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

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BE:AHLRICHS-VDZ                                                              
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B:AHLRICHS-VDZ                                                              
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C:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

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N:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

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O:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

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F:AHLRICHS-VDZ                                                              
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NE:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

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NA:AHLRICHS-VDZ                                                              
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MG:AHLRICHS-VDZ                                                              
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AL:AHLRICHS-VDZ                                                              
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SI:AHLRICHS-VDZ                                                              
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P:AHLRICHS-VDZ                                                              
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S:AHLRICHS-VDZ                                                              
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CL:AHLRICHS-VDZ                                                              
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AR:AHLRICHS-VDZ                                                              
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K:AHLRICHS-VDZ                                                              
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CA:AHLRICHS-VDZ                                                              
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SC:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

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   14    8    5
 
  38956.081804   5849.573364   1330.881315    375.555342    121.872614
     41.760244     81.060634      9.205982      3.706322      5.988891
      0.973634      0.420410      0.059441      0.022898
 
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    466.314813    109.512171     34.375922     12.142097      4.433677
      2.097129      0.809776      0.308340
 
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TI:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

  3
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   14    8    5
 
  42961.512185   6450.975917   1467.721092    414.209974    134.487158
     46.122210     89.447763     10.223346      4.135377      6.789618
      1.110673      0.475660      0.065987      0.025210
 
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      2.413193      0.932523      0.354291
 
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V:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

  3
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   14    8    5
 
  47160.376060   7081.411087   1611.162122    454.729406    147.713212
     50.699539     98.262493     11.294293      4.585336      7.635969
      1.253984      0.532719      0.072246      0.027358
 
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      2.748539      1.061855      0.402355
 
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CR:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

  3
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   14    8    5
 
  51528.086349   7737.210349   1760.374847    496.877065    161.465206
     55.466352    107.547330     12.408672      5.042363      8.546164
      1.390044      0.560666      0.071484      0.028251
 
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    640.485361    150.697112     47.503755     16.934120      6.240968
      3.088546      1.179105      0.433698
 
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MN:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    2    2
   14    8    5
 
  56137.009037   8429.206394   1917.827723    541.362302    176.000691
     60.500477    117.172829     13.596973      5.548400      9.466285
      1.559501      0.652302      0.084004      0.031256
 
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      3.477220      1.340691      0.504988
 
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FE:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    2    2
   14    8    5
 
  60923.640643   9147.889398   2081.350593    587.559771    191.090440
     65.732730    127.258919     14.830913      6.065331     10.449944
      1.724523      0.717722      0.091450      0.033707
 
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      3.871933      1.492472      0.560613
 
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CO:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    2    2
   14    8    5
 
  65902.208257   9895.389603   2251.430579    635.610971    206.788207
     71.179243    137.772680     16.118079      6.603033     11.479916
      1.895643      0.784662      0.098426      0.035946
 
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NI:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    2    2
   14    8    5
 
  71074.803211  10672.020941   2428.138901    685.535951    223.100729
     76.842014    148.711220     17.459155      7.162528     12.556137
      2.073574      0.853826      0.105368      0.038134
 
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    916.736087    216.061399     68.383915     24.593844      9.139296
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CU:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    5    2    2
   14    8    5
 
  76381.348056  11468.777499   2609.424649    736.750331    239.824200
     82.656829    160.135442     18.834178      7.717660     13.710847
      2.234990      0.878184      0.087187      0.032969
 
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ZN:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

  3
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    5    2    2
   14    8    5
 
  82000.711629  12312.471777   2801.394419    790.994243    257.565511
     88.814933    171.863537     20.302535      8.346412     14.847537
      2.449503      0.998458      0.118913      0.042297
 
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GA:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

  3
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   14   10    5
 
  87842.126296  13189.496402   3000.948214    847.384260    276.009806
     95.216672    184.007040     21.827051      9.002696     16.033177
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   1167.266584    275.380628     87.375073     31.597255     11.824123
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GE:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

  3
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   14   10    5
 
  93889.836642  14097.497528   3207.547731    905.767273    295.110147
    101.847131    196.567197     23.405293      9.683912     17.269737
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      6.847103      2.771736      1.145842      0.306796      0.089284
 
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AS:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

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SE:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

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BR:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

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KR:AHLRICHS-VDZ                                                              
EMSL BASIS SET LIBRARY

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!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
!H - Kr: A. Schafer, H. Horn and R. Ahlrichs, J. Chem. Phys. 97, 2571 (1992).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ----------                                
!H - Kr: R. Ahlrichs and coworkers, (mostly unpublished)

H:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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HE:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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LI:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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BE:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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B:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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C:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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N:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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O:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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F:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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NE:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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NA:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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MG:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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AL:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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SI:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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P:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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S:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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CL:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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AR:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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K:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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CA:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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SC:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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TI:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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V:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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CR:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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MN:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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FE:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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CO:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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NI:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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    916.736087    216.061399     68.383915     24.593844      9.139296
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CU:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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    991.240758    233.693761     74.020931     26.664967      9.919209
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ZN:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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GA:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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     65.354238     18.504657      6.317962      2.164139      0.666931
      0.207000
 
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GE:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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      2.896462      1.255362      0.202131      0.073868
 
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      6.847103      2.771736      1.145842      0.306796      0.089284
 
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     74.782168     21.310850      7.346479      2.565627      0.819818
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AS:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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     84.445515     24.190416      8.404502      2.980897      0.979092
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SE:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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     94.494024     27.188185      9.509157      3.417052      1.147959
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BR:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

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    104.855186     30.281144     10.651394      3.869946      1.324088
      0.389000
 
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KR:AHLRICHS-PVDZ                                                              
EMSL BASIS SET LIBRARY

  3
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   1668.573662    394.138628    125.466449     45.704993     17.270133
      9.269949      3.836462      1.646716      0.614797      0.183195
 
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    115.558686     33.477986     11.834450      4.340825      1.507927
      0.443000
 
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!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
!Li - Kr: A. Schafer, C. Huber and R. Ahlrichs, J. Chem. Phys. 100, 5829 (1994).

LI:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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BE:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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B:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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C:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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N:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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O:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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F:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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NE:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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NA:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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MG:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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AL:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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SI:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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P:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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S:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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CL:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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AR:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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K:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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CA:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

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SC:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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    216.173248     83.712518     32.908707    211.343932     65.128920
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TI:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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V:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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    262.322196    101.704038     40.064785    255.240150     78.804647
     12.340599      5.174202      7.651389      1.263976      0.538618
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     43.861135     12.516022      4.331385      1.613886      0.587496
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CR:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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 254477.807040  38131.797054   8675.293061   2455.009985    799.162178
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MN:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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 277185.001530  41550.769890   9455.970015   2676.520648    871.466875
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FE:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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CO:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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NI:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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 351535.729350  52695.809283  11992.468293   3394.577669   1105.359458
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CU:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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    426.464219    165.706602     65.598943    414.412658    128.320560
     20.622090      8.782123     13.741372      2.243125      0.893705
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      9.388248     37.596171      5.124069      2.012000      0.738607
 
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     74.129461     21.359843      7.499524      2.760139      0.953621
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ZN:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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   17   10    6
 
 405924.310280  60846.955735  13847.343092   3919.615855   1276.359417
    458.672544    178.287252     70.612193    443.880779    137.558753
     22.268083      9.521731     14.874114      2.464752      1.011327
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     10.225143     40.713443      5.624709      2.227995      0.833547
 
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     88.554315     25.721526      9.127837      3.431236      1.230892
      0.390318
 
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GA:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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   17   12    6
 
 435548.662540  65289.589031  14858.784256   4205.973473   1369.641643
    492.303489    191.419232     75.840559    474.308106    147.102976
     23.982599     10.298230     16.050381      2.698847      1.142859
      0.202177      0.071980
 
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     11.420230     42.819662      6.388590      2.669899      1.078178
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      0.511143
 
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GE:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    2
   17   12    6
 
 466115.005920  69875.420762  15903.276716   4501.823345   1466.057092
    527.078417    205.003951     81.251596    505.746613    156.965937
     25.761448     11.106655     17.272059      2.943829      1.283916
      0.258733      0.093525
 
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AS:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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   17   13    6
 
 498032.421580  74656.868743  16990.960004   4809.620032   1566.288706
    563.213605    219.111800     86.866061    538.195125    167.148502
     27.605517     11.947859     18.538023      3.201899      1.435652
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SE:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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 531071.666960  79603.044117  18115.844240   5127.892319   1669.913084
    600.575345    233.700212     92.672444    571.575137    177.636864
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BR:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    5    2
   17   13    6
 
 565073.252560  84701.723179  19276.271900   5456.428458   1776.950350
    639.193983    248.788240     98.678305    606.078246    188.455985
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KR:AHLRICHS-TZV                                                              
EMSL BASIS SET LIBRARY

  3
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    6    5    2
   17   13    6
 
 600250.975750  89976.650781  20476.814225   5796.155408   1887.591320
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     33.545463     14.683955     22.603102      4.065068      1.961103
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    186.417609     55.274124     20.283219      8.088454      3.221403
      1.195217
 
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!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
!H - Kr: A. Schafer, H. Horn and R. Ahlrichs, J. Chem. Phys. 97, 2571 (1992).

H:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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HE:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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LI:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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BE:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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B:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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C:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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N:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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O:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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F:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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NE:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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NA:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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MG:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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AL:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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SI:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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P:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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S:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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CL:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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AR:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

  3
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K:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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CA:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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SC:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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TI:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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V:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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CR:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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MN:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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FE:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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CO:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

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     42.924373     11.940810      4.003721      1.341257      0.400112
 
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NI:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

  4
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CU:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

  4
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ZN:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

  4
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    549.256469    218.590110     89.068823     22.475752      9.783699
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GA:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

  4
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     15.974580      6.887061      2.831859      1.107801      0.234509
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GE:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

  4
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AS:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

  4
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SE:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

  4
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BR:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

  4
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    754.708270    302.696891    124.168669     31.544281     14.029436
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KR:AHLRICHS-VTZ                                                              
EMSL BASIS SET LIBRARY

  4
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!
!  REFERENCE
!J. Almlof and P.R. Taylor, J. Chem. Phys. 86, 4070 (1987).
!C.W. BAUSCHLICHER, JR., S.R. LANGHOFF, A. KORMORNICKI,  THEOR. CHIM ACTA 77,
! 263 (1990)

H:NASA-AMES                                                                  
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B:NASA-AMES                                                                  
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C:NASA-AMES                                                                  
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N:NASA-AMES                                                                  
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O:NASA-AMES                                                                  
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F:NASA-AMES                                                                  
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NE:NASA-AMES                                                                  
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AL:NASA-AMES                                                                  
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 0.0000050  0.0004760  0.2822800 -1.0963580 -2.2089260 -2.2054020
 
   1086.697000    439.527400    177.772000     71.901960     29.081590
     11.762390      4.757435      1.924200      0.778265      0.314778
      0.127316      0.051494      0.020827
 
-0.0002650 -0.0000500 -0.0000630 -0.0000350 -0.0000230
-0.0007820 -0.0001490 -0.0001700 -0.0005320 -0.0012280
-0.0041300 -0.0007770 -0.0009820 -0.0005580 -0.0004040
-0.0170060 -0.0032370 -0.0038320 -0.0084590 -0.0185920
-0.0636660 -0.0121840 -0.0149970 -0.0142670 -0.0226720
-0.1870800 -0.0367040 -0.0434930 -0.0880600 -0.1961010
-0.3608060 -0.0717950 -0.0914300 -0.0835720 -0.1286890
-0.4052180 -0.0874930 -0.1074080 -0.3565440 -0.7614490
-0.1795230 -0.0305910 -0.1370660  0.3455810  2.6403520
-0.0090350  0.2294340  0.8178660  1.4428600 -2.7866990
-0.0035340  0.5016700  0.3884830 -2.2406190  1.4688110
 0.0013060  0.3680840 -0.9498570  0.9837240  0.0026120
-0.0004880  0.0524820 -0.1469130  0.2398090 -0.5108050
 
      3.070000      1.230000      0.490000      0.200000      0.080000
      0.030000
 
 0.0126950  0.0282050  0.0819980
 0.0078300 -0.1334430  0.1220540
 0.1739390  0.7398030 -1.5552120
 0.5921450  0.3295820  1.9529650
 0.3523720 -0.9390270 -0.9321900
 0.0170190 -0.0534490 -0.1892570
 
      1.580000      0.630000      0.250000      0.100000
 
 0.0210130 -0.1496420
-0.1426860  0.7782780
-0.6859880  0.2276380
-0.3185340 -0.8641270
 
      1.060000      0.420000
 
-0.0847370
-0.2321400
 

P:NASA-AMES                                                                  
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    6    5    3    2    1
   18   13    6    4    2
 
1948462.000000 291808.800000  66414.490000  18812.820000   6137.677000
   2215.792000    864.224000    358.396300    156.158400     70.839400
     33.203260     15.773060      6.641184      3.067501      1.416215
      0.470811      0.211579      0.088777
 
 0.0000060  0.0000020  0.0000000 -0.0000010 -0.0000010 -0.0000010
 0.0000460  0.0000120  0.0000030 -0.0000040 -0.0000050 -0.0000090
 0.0002390  0.0000650  0.0000180 -0.0000230 -0.0000330 -0.0000630
 0.0010110  0.0002740  0.0000760 -0.0000940 -0.0001070 -0.0001890
 0.0036670  0.0010010  0.0002770 -0.0003530 -0.0005420 -0.0010430
 0.0118270  0.0032390  0.0008920 -0.0011090 -0.0011510 -0.0019740
 0.0342030  0.0095550  0.0026480 -0.0033970 -0.0055720 -0.0109200
 0.0875650  0.0252490  0.0069780 -0.0086340 -0.0078440 -0.0129780
 0.1894050  0.0593670  0.0166440 -0.0216420 -0.0394080 -0.0802040
 0.3155000  0.1152380  0.0324560 -0.0398620 -0.0244150 -0.0340870
 0.3324620  0.1696200  0.0499990 -0.0683050 -0.1628340 -0.3651130
 0.1589360  0.0984390  0.0289330 -0.0296200  0.1057660  0.3388420
 0.0176790 -0.2441630 -0.0800430  0.1105090 -0.1620660 -0.1131460
-0.0006250 -0.5645630 -0.2549410  0.3816900  1.4916960  2.9594160
 0.0007260 -0.3347200 -0.2755500  0.4086470 -1.1900970 -5.5133780
-0.0002240 -0.0234800  0.3255040 -1.8725740 -2.2231430  6.1801650
 0.0001060  0.0042390  0.6461680  0.3640590  4.2408410 -5.0965400
-0.0000330 -0.0011790  0.2471940  1.0430610 -2.3273390  1.8302610
 
   2956.262000    700.284800    227.313900     86.561840     36.333860
     16.293470      7.578966      3.578859      1.698042      0.763358
      0.342119      0.148620      0.062345
 
 0.0001100  0.0000260 -0.0000350 -0.0000540  0.0000570
 0.0009690  0.0002330 -0.0002890 -0.0005150  0.0012260
 0.0053990  0.0013010 -0.0017140 -0.0026990  0.0029070
 0.0221710  0.0053800 -0.0066670 -0.0120860  0.0295840
 0.0707110  0.0174070 -0.0229790 -0.0361920  0.0397020
 0.1715350  0.0433010 -0.0533610 -0.1025540  0.2830760
 0.3002250  0.0774580 -0.1079150 -0.1715870  0.0519940
 0.3606170  0.0983450 -0.1079980 -0.2117410  0.8875690
 0.2356400  0.0607030 -0.1671540 -0.0425570 -2.5179650
 0.0483800 -0.1418900  0.5282480  1.8194620  1.6696120
 0.0000720 -0.4222190  0.7949330 -1.6852000  0.5680020
 0.0009930 -0.4416050 -0.7142930 -0.2280310 -1.7810500
-0.0001870 -0.1532970 -0.4907260  0.8435440  1.1614360
 
      4.600000      1.840000      0.740000      0.290000      0.120000
      0.047000
 
-0.0198760  0.0063540  0.1852200
-0.0178410  0.0955530 -0.3744200
-0.3265710 -1.0098100 -0.8792550
-0.6084180  0.2698990  1.8945390
-0.1788950  0.7356150 -1.4375760
-0.0106940 -0.0270120  0.1146880
 
      2.210000      0.880000      0.350000      0.140000
 
 0.0228670 -0.1152820
-0.3152560  1.0917640
-0.6957360 -0.4902590
-0.1364460 -0.5043230
 
      1.060000      0.420000
 
-0.0847370
-0.2321400
 

TI:NASA-AMES                                                                  
EMSL BASIS SET LIBRARY

  5
    0    0    1    2    3
    6    1    6    4    2
   20    1   16   10    6
 
5309148.100000 794951.650000 180907.560000  51241.933000  16717.449000
   6035.265900   2353.857100    976.146460    425.435630    193.046770
     90.439369     43.020713     19.190555      9.425716      4.605243
      2.037834      0.980032      0.445625      0.106417      0.052571
 
 0.0000040 -0.0000010  0.0000000  0.0000000 -0.0000110 -0.0000270  
 0.0000340 -0.0000100  0.0000040 -0.0000010  0.0000870  0.0001430  
 0.0001800 -0.0000530  0.0000180 -0.0000050 -0.0000550 -0.0004670  
 0.0007590 -0.0002240  0.0000780 -0.0000200 -0.0000150  0.0018390  
 0.0027570 -0.0008180  0.0002840 -0.0000720 -0.0001380 -0.0015630  
 0.0089250 -0.0026590  0.0009230 -0.0002330 -0.0003890  0.0000440  
 0.0260620 -0.0078790  0.0027420 -0.0006940 -0.0012610 -0.0022500  
 0.0681900 -0.0212220  0.0074000 -0.0018700 -0.0031060 -0.0046630  
 0.1543490 -0.0514220  0.0181190 -0.0045860 -0.0085010 -0.0131890  
 0.2802810 -0.1067010  0.0381030 -0.0096410 -0.0154200 -0.0233800  
 0.3483980 -0.1746820  0.0648790 -0.0164770 -0.0324540 -0.0517570  
 0.2217060 -0.1560400  0.0606710 -0.0154360 -0.0188950 -0.0251040  
 0.0400210  0.1293030 -0.0552490  0.0140600  0.0035420 -0.0079240  
-0.0021380  0.5384620 -0.3126030  0.0836810  0.2003310  0.3605940  
 0.0017210  0.4357260 -0.4016560  0.1124820  0.1192040  0.1640910  
-0.0008020  0.0681210  0.1716870 -0.0589590  0.0579660  0.0239360  
 0.0003570 -0.0024430  0.6894930 -0.2519770 -1.0238220 -2.3564030  
-0.0001460  0.0019660  0.3942150 -0.2809240  0.2735190  2.6846180  
 0.0000550 -0.0004400  0.0257010  0.3455540  2.0478550 -0.0331200  
-0.0000480  0.0003920 -0.0098290  0.6191300 -1.1914050 -2.3662390  

      0.024357 

 1.0000000

   7999.804500   1894.451500    615.187480    234.927410     99.213753
     44.916140     21.249717     10.330458      5.104980      2.440690
      1.151205      0.529556      0.221190      0.088000      0.035000
      0.014000
 
 0.0000880 -0.0000290  0.0000090 -0.0002710 -0.0009270  0.0000000
 0.0007770 -0.0002600  0.0000800  0.0002410  0.0041830  0.0000000
 0.0044040 -0.0014730  0.0004630  0.0009410 -0.0141980  0.0000000
 0.0186640 -0.0063160  0.0019570  0.0036340  0.0154300  0.0000000
 0.0620700 -0.0213380  0.0067220  0.0131300  0.0058240  0.0000000
 0.1590770 -0.0567710  0.0176420  0.0343020  0.0468230  0.0000000
 0.2969640 -0.1097940  0.0349530  0.0665440  0.0486290  0.0000000
 0.3688130 -0.1471670  0.0458190  0.0971630  0.1661510  0.0000000
 0.2348290 -0.0550630  0.0180770  0.0278160 -0.0441020  0.0000000
 0.0493470  0.2449580 -0.0952170 -0.1818780 -0.1960630  0.0000000
 0.0009870  0.4722450 -0.1732680 -0.5922540 -1.0183170  0.0000000
 0.0008040  0.3605120 -0.1884220  0.1263500  1.7213560  0.0000000
-0.0002200  0.0811280  0.2407920  1.2972330 -0.2841240  0.0000000
 0.0001020 -0.0015090  0.7134350 -0.5587720 -1.3692490  0.0000000
-0.0000520  0.0021630  0.2069500 -0.5235050  1.3006420  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     89.569201     26.584356      9.771032      3.961933      1.689269
      0.715671      0.293811      0.110830      0.044000      0.018000
 
 0.0018510 -0.0016830  0.0025370  0.0000000
 0.0138540 -0.0126890  0.0182170  0.0000000
 0.0547720 -0.0503750  0.0753840  0.0000000
 0.1487530 -0.1390290  0.2077710  0.0000000
 0.2660780 -0.2355330  0.3021640  0.0000000
 0.3261010 -0.2436870  0.0903610  0.0000000
 0.3127020  0.0296290 -0.5952700  0.0000000
 0.2231590  0.4467590 -0.3623870  0.0000000
 0.0882190  0.4336380  0.6102970  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      5.435000      2.174000      0.870000      0.348000      0.139000
      0.056000
 
 0.0228890 -0.0683540
 0.0913440 -0.2725160
 0.2721040 -0.5288800
 0.4715640 -0.0623890
 0.3691430  0.5415990
 0.1058190  0.2653750
 

FE:NASA-AMES                                                                  
EMSL BASIS SET LIBRARY

  6
    0    0    1    2    3    4
    6    1    6    4    3    2
   19    1   15   10    6    4
 
4316265.300000 646342.420000 147089.730000  41661.522000  13590.765000
   4905.750000   1912.745800    792.604340    344.806480    155.899890
     72.230908     32.725065     15.667622      7.503483      3.312223
      1.558471      0.683914      0.146757      0.070583      
 
 0.0000090  0.0000030  0.0000010  0.0000000  0.0000000 -0.0000010  
 0.0000670  0.0000200  0.0000080 -0.0000020 -0.0000040 -0.0000060  
 0.0003540  0.0001080  0.0000400 -0.0000090 -0.0000190 -0.0000320  
 0.0014940  0.0004540  0.0001670 -0.0000390 -0.0000820 -0.0001380  
 0.0054110  0.0016500  0.0006080 -0.0001420 -0.0002810 -0.0004830  
 0.0173530  0.0053420  0.0019740 -0.0004600 -0.0009810 -0.0016450  
 0.0495400  0.0156190  0.0057800 -0.0013460 -0.0026260 -0.0045450  
 0.1230350  0.0408890  0.0152520 -0.0035610 -0.0077430 -0.0129050  
 0.2492930  0.0929110  0.0350560 -0.0081790 -0.0154940 -0.0272110  
 0.3585720  0.1689460  0.0658830 -0.0154840 -0.0354190 -0.0584350  
 0.2774790  0.1910010  0.0781560 -0.0183720 -0.0292210 -0.0559870  
 0.0671930 -0.0440020 -0.0189120  0.0042640 -0.0133990 -0.0097930  
-0.0011560 -0.5154830 -0.3032160  0.0756280  0.2119880  0.3524110  
 0.0019320 -0.5051730 -0.4576420  0.1188730  0.1691430  0.4550880  
-0.0008920 -0.0922990  0.1284210 -0.0419860  0.0742020 -0.4462180  
 0.0003860  0.0024090  0.7173930 -0.2475120 -1.1776270 -2.1706560  
-0.0001510 -0.0022620  0.4035530 -0.2492100  0.4727140  2.9960310  
 0.0000560  0.0004680  0.0231450  0.3405010  1.9969190 -1.5690770  
-0.0000440 -0.0004180 -0.0055060  0.5641510 -1.4279300 -0.1978130  

      0.031449

 1.0000000

   7721.488600   1829.125800    593.627950    226.205360     95.261454
     42.859203     20.049713      9.620885      4.541371      2.113500
      0.947201      0.391243      0.156480      0.062592      0.025037
 
 0.0001770  0.0000640  0.0000210  0.0000440 -0.0000560  0.0000000
 0.0015510  0.0005600  0.0001850  0.0003780 -0.0005120  0.0000000
 0.0086400  0.0031430  0.0010300  0.0021520 -0.0027830  0.0000000
 0.0354860  0.0130610  0.0043160  0.0088440 -0.0120200  0.0000000
 0.1108190  0.0421130  0.0138510  0.0290190 -0.0373100  0.0000000
 0.2515690  0.0994930  0.0331730  0.0677810 -0.0933430  0.0000000
 0.3816780  0.1613260  0.0537290  0.1157620 -0.1463780  0.0000000
 0.3098840  0.1146190  0.0393980  0.0882350 -0.2023010  0.0000000
 0.0878060 -0.1812660 -0.0774690 -0.1946800  0.6033780  0.0000000
 0.0037230 -0.4753580 -0.2003690 -0.6473280  0.9274970  0.0000000
 0.0015140 -0.4081460 -0.1915680  0.1440590 -2.1152770  0.0000000
-0.0002850 -0.1041540  0.2077530  1.2223770  0.9641220  0.0000000
 0.0002120  0.0010940  0.6868330 -0.4454910  0.7716910  0.0000000
-0.0000950 -0.0027330  0.2589470 -0.5577910 -1.0407230  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
    217.368830     64.999755     24.773137     10.436140      4.679653
      2.125622      0.945242      0.402685      0.156651      0.062660
 
-0.0009160 -0.0010010 -0.0014840 -0.0019790
-0.0078140 -0.0085460 -0.0129050 -0.0175070
-0.0353740 -0.0390910 -0.0592710 -0.0807470
-0.1076990 -0.1216260 -0.1956080 -0.2934760
-0.2252210 -0.2556750 -0.3810610 -0.5012910
-0.3168990 -0.2837140 -0.1237830  0.7040080
-0.3203640 -0.0227630  0.6368990  0.5589080
-0.2468990  0.4183690  0.3368010 -1.1456490
-0.1160740  0.4725140 -0.6003180  0.3097490
-0.0148530  0.1139850 -0.2638520  0.4619530
 
     16.997200      6.798900      2.719600      1.087800      0.435100
      0.174100
 
 0.0132730  0.0276820 -0.0434200
 0.0794550  0.1891930 -0.4086880
 0.2906030  0.5224970 -0.4554720
 0.4660450  0.1505990  0.8252990
 0.3551630 -0.5269540  0.0439680
 0.1259100 -0.3735000 -0.6845860
 
      8.159000      3.263000      1.305000      0.522000
 
 0.0083660  0.0387310
 0.0581100  0.1278180
 0.1077200  0.0205990
 0.0838760 -0.1529310
 

NI:NASA-AMES                                                                  
EMSL BASIS SET LIBRARY

  6
    0    0    1    2    3    4
    6    1    6    4    3    2
   19    1   15   10    6    4
 
5048010.400000 755918.100000 172026.250000  48724.572000  15894.892000
   5737.468500   2237.051300    927.030200    403.346150    182.428160
     84.589171     38.422931     18.468791      8.868190      3.918870
      1.839853      0.804663      0.169846      0.079370      
 
 0.0000090 -0.0000030  0.0000010  0.0000000  0.0000240 -0.0000330  
 0.0000670 -0.0000200  0.0000070 -0.0000020 -0.0000130  0.0002570  
 0.0003510 -0.0001080  0.0000380 -0.0000090 -0.0000120 -0.0001740  
 0.0014800 -0.0004540  0.0001610 -0.0000370 -0.0000740 -0.0000540  
 0.0053610 -0.0016510  0.0005870 -0.0001340 -0.0002370 -0.0005110  
 0.0171990 -0.0053460  0.0019040 -0.0004340 -0.0008530 -0.0014030  
 0.0491280 -0.0156420  0.0055800 -0.0012710 -0.0022550 -0.0043650  
 0.1221690 -0.0410010  0.0147530 -0.0033680 -0.0066460 -0.0114870  
 0.2481120 -0.0933970  0.0340360 -0.0077540 -0.0135760 -0.0254460  
 0.3582690 -0.1704110  0.0643470 -0.0147500 -0.0300980 -0.0533040  
 0.2791030 -0.1937530  0.0771120 -0.0176110 -0.0268830 -0.0517320  
 0.0682840  0.0436140 -0.0185120  0.0039920 -0.0085890 -0.0112730  
-0.0011830  0.5194920 -0.3044200  0.0730740  0.1758910  0.3198380  
 0.0019140  0.5037270 -0.4512560  0.1111670  0.1596780  0.3950850  
-0.0008790  0.0912950  0.1484940 -0.0440510  0.0250370 -0.2547270  
 0.0003770 -0.0022250  0.7133860 -0.2324210 -0.9078600 -2.1265650  
-0.0001450  0.0022260  0.3979360 -0.2276380  0.2655870  2.5157580  
 0.0000510 -0.0004290  0.0231230  0.3114210  1.6122490 -0.2125990  
-0.0000400  0.0003630 -0.0093000  0.5468970 -0.6112430 -1.7291540  

      0.034700

 1.0000000

   9148.795800   2167.170600    703.385660    268.134230    113.007810
     50.913395     23.877402     11.489237      5.436884      2.533837
      1.135309      0.467891      0.187200      0.074900      0.029900
 
 0.0001740 -0.0000620  0.0000300 -0.0006630  0.0012770  0.0000000
 0.0015270 -0.0005460  0.0002030  0.0007960 -0.0065500  0.0000000
 0.0085220 -0.0030730  0.0013380  0.0017760  0.0063860  0.0000000
 0.0351420 -0.0128270  0.0051270  0.0108210  0.0121480  0.0000000
 0.1102710 -0.0416140  0.0173880  0.0290620  0.0396830  0.0000000
 0.2517370 -0.0991340  0.0409150  0.0769940  0.1071850  0.0000000
 0.3825020 -0.1613400  0.0680180  0.1227310  0.1442300  0.0000000
 0.3088820 -0.1107930  0.0477330  0.1048100  0.2590020  0.0000000
 0.0871670  0.1894650 -0.1038460 -0.2597590 -0.8723900  0.0000000
 0.0039480  0.4753500 -0.2716260 -0.6896980 -0.5578110  0.0000000
 0.0015980  0.4014970 -0.1497540  0.3688420  2.0283200  0.0000000
-0.0002260  0.1055720  0.3179060  1.0654880 -1.2357980  0.0000000
 0.0002170 -0.0003780  0.6163390 -0.5344810 -0.4765670  0.0000000
-0.0000900  0.0027960  0.2276480 -0.5011200  0.8967940  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
    258.866660     77.496041     29.589718     12.515275      5.624467
      2.551303      1.128060      0.475373      0.182128      0.072900
 
 0.0009460 -0.0009600 -0.0013470  0.0020000
 0.0081190 -0.0082760 -0.0119700  0.0167890
 0.0370440 -0.0380530 -0.0550130  0.0774360
 0.1124360 -0.1180440 -0.1780890  0.2825310
 0.2296360 -0.2418780 -0.3537820  0.4798750
 0.3134900 -0.2574680 -0.1546950 -0.5522080
 0.3092810 -0.0353770  0.5064350 -0.6441280
 0.2445290  0.3306340  0.4480440  0.8320280
 0.1321490  0.4644450 -0.3629430  0.2247390
 0.0338880  0.2449120 -0.4751770 -0.6818500
 
     19.764200      7.905700      3.162200      1.264900      0.506000
      0.202400
 
 0.0171120  0.0346430
 0.0982030  0.2515000
 0.3373790  0.5566410
 0.4757970 -0.0328550
 0.3043240 -0.5452100
 0.0953710 -0.2765610
 
!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
!H - Ne:  P.O. Widmark, P.A. Malmqvist, B. Roos, Theor. Chim. Acta, 77,         
!         291 (1990).                                                           
!Na - Ar: P.O. Widmark, B. J. Persson and B. Roos Theor. Chim. Acta, 79,        
!         419 (1991).                                                           
!Sc - Zn: R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.O. Widmark and B. Roos,   
!         Theor. Chim. Acta, 92, 149 (1995).

H:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

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HE:ROOS-ADZP                                                                  
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LI:ROOS-ADZP                                                                  
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BE:ROOS-ADZP                                                                  
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B:ROOS-ADZP                                                                  
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C:ROOS-ADZP                                                                  
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N:ROOS-ADZP                                                                  
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O:ROOS-ADZP                                                                  
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F:ROOS-ADZP                                                                  
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NE:ROOS-ADZP                                                                  
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NA:ROOS-ADZP                                                                  
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 0.4925499  1.1090949
 

MG:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  3
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AL:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  3
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SI:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  3
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P:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  3
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    5    4    2
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S:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  3
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CL:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  3
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   17   12    5
 
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AR:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  3
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K:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  3
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CA:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  3
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SC:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  4
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TI:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  4
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V:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  4
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 0.0387876  0.1150943
 

CR:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

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MN:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

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FE:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

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CO:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

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NI:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

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   9148.796000   2167.171000    703.385700    268.134200    113.007800
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    258.866700     77.496040     29.589720     12.515270      5.624468
      2.551303      1.128060      0.475373      0.182128      0.072851
 
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 0.0081799 -0.0079244  0.0107482 -0.0157175
 0.0373082 -0.0366267  0.0495894 -0.0727320
 0.1132872 -0.1130537  0.1598774 -0.2541176
 0.2314757 -0.2326325  0.3192322 -0.4630912
 0.3161360 -0.2493503  0.1791901  0.3660276
 0.3108432 -0.0353269 -0.4130720  0.7561037
 0.2421024  0.3269474 -0.4749400 -0.6047182
 0.1229839  0.4196984  0.1711843 -0.5581049
 0.0351676  0.3181754  0.6397940  0.7818190
 
     14.215600      5.634500      2.233300      0.885200      0.350900
      0.139100
 
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 0.1679319 -0.3935911
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 0.2157909  0.4920107
 0.0513622  0.1648255
 

CU:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  4
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  10403.46000    4057.791000   1682.974000    733.754300    333.267700
    156.43380      74.697210     33.322620     16.622370      8.208260
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 0.0000177 -0.0001197  0.0057910  0.7953271 -1.2308780 -1.8284650
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 0.0840772  0.3070359  0.6027864  0.5428285
 0.0050438  0.0325397  0.1443810  0.3272240
 
     15.433300      6.117200      2.424600      0.961000      0.380900
      0.151000
 
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 0.0416518  0.1542376
 

ZN:ROOS-ADZP                                                                  
EMSL BASIS SET LIBRARY

  4
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 0.0000247 -0.0002165  0.0034484  0.1698573  0.7349184  1.5307360
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  10684.580000   2530.903000    821.482000    313.252200    132.109400
     59.587510     28.003990     13.504250      6.401881      2.985769
      1.336902      0.549961      0.219984      0.087994      0.035198
 
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    305.011500     91.400030     34.958290     14.836970      6.680748
      3.029026      1.334839      0.558608      0.211743      0.084697
 
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 0.3173635  0.2110472 -0.7039918  0.1240994
 0.2230148  0.5180431  0.1308419 -0.9362263
 0.0809221  0.2610813  0.5940125  0.3962795
 0.0035432  0.0202449  0.1801863  0.5183450
 
     16.574400      6.569500      2.603900      1.032100      0.409100
      0.162100
 
 0.0455715 -0.0941222
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!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
!H - Ne:  P.O. Widmark, P.A. Malmqvist, B. Roos, Theor. Chim. Acta, 77,         
!         291 (1990).                                                           
!Na - Ar: P.O. Widmark, B. J. Persson and B. Roos Theor. Chim. Acta, 79,        
!         419 (1991).                                                           
!Sc - Zn: R. Pou-Amerigo, M. Merchan, I. Nebot-Gil, P.O. Widmark and B. Roos,   
!         Theor. Chim. Acta, 92, 149 (1995).

H:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

  3
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      2.305000      0.806750      0.282362      0.098827
 
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      1.819000      0.727600      0.291040
 
 0.2705134 -0.7938035
 0.5510125 -0.0914252
 0.3310866  0.8620033
 

HE:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

  3
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      4.550000      1.592500      0.557375      0.195081
 
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      3.400000      1.360000      0.544000
 
 0.2805521 -0.9514716
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 0.3033297  0.6987400
 

LI:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

  4
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 0.3877783 -0.3795652
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 0.4461499  1.0900688
 

BE:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

  4
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 0.0630641  0.4307622  0.7770346  1.1633019
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B:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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C:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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N:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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O:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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F:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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NE:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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NA:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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MG:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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AL:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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SI:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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P:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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S:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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CL:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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AR:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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   1462.496200    354.067310    126.697790     49.989095     20.509295
      8.580464      3.630105      1.546528      0.661937      0.284243
      0.122346      0.048939
 
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 0.0002900  0.1712511  0.4633169  0.8912557  1.0925195
-0.0000934  0.0135131  0.0490871  0.0688977  0.3526672
 
      4.328842      1.774230      0.727191      0.298048      0.119219
 
 0.0400344 -0.0575340  0.1673536
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 0.3043728 -0.5696319  1.0041472
 0.0625881 -0.5510258 -1.1194440
 
      1.631174      0.820329      0.412549      0.165020
 
 0.2359750 -0.7659268
 0.5761880 -0.1737742
 0.2780082  0.8481047
 0.0401923  0.1663832
 

SC:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    8    7    5    3    2
   21   15   10    6    4
 
2715278.000000 406598.400000  92530.040000  26207.920000   8549.429000
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    110.219700     32.800410     12.313000      5.063819      2.225547
      0.992343      0.436361      0.185705      0.073441      0.029376
 
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 0.0988050  0.5100448  0.8953851  1.1614700  0.4427117
 
      2.841500      1.126300      0.446400      0.176900      0.070100
      0.027800
 
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 0.2305404  0.5750650  0.8152544
 0.0309622  0.2099214  0.2046911
 
      1.607100      0.631700      0.248300      0.097600
 
-0.0312478 -0.1712605
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-0.4351061  0.0551703
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TI:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    8    7    5    3    2
   21   15   10    6    4
 
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   3426.346000   1335.896000    553.502600    240.692500    108.729300
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 0.0000332 -0.0007664  0.0163869  0.2904509  0.6338804  0.9777475  1.4239416
 
    134.356500     40.041890     15.129760      6.276990      2.781410
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      4.246400      1.683100      0.667100      0.264400      0.104800
      0.041500
 
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      2.401700      0.944000      0.371000      0.145800
 
 0.1052200 -0.3879583
 0.3397169 -0.5519254
 0.5641176  0.1803736
 0.2853114  0.6041549
 

V:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    8    7    5    3    2
   21   15   10    6    4
 
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 0.0002144 -0.0016510  0.6800287 -0.2994418 -1.6682250 -0.1590524  2.7107390
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CR:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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MN:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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FE:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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CO:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

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 0.0000289 -0.0006972  0.0401845  0.2359969  0.7602001  0.9173830  1.1324392
 
    237.592800     71.088810     27.119030     11.448260      5.139542
      2.332694      1.034030      0.437899      0.168963      0.067585
 
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     12.840300      5.089400      2.017200      0.799600      0.316900
      0.125600
 
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      7.262100      2.854400      1.121900      0.441000
 
-0.0594147  0.3127987
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-0.5066564 -0.2105011
-0.2718922 -0.6000994
 

NI:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    8    7    5    3    2
   21   15   10    6    4
 
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     14.215600      5.634500      2.233300      0.885200      0.350900
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      8.039900      3.160100      1.242100      0.488200
 
 0.0644167  0.2337494
 0.3942264  0.4363882
 0.5455206 -0.1801696
 0.2687623 -0.4040997
 

CU:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    8    7    5    3    2
   21   15   10    6    4
 
9148883.00000 1369956.000000 311782.600000  88318.800000  28815.530000
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    249.349700     74.638370     28.376410     11.948930      5.317646
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     15.433300      6.117200      2.424600      0.961000      0.380900
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      8.728600      3.430800      1.348500      0.530000
 
 0.0694594 -0.3791541
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 0.5414751  0.3613781
 0.2174397  0.5126784
 

ZN:ROOS-ATZP                                                                  
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    8    7    5    3    2
   21   15   10    6    4
 
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 0.0015857  0.3967617 -0.1364279 -0.0399937  0.7452954 -1.9590820 -1.2389870
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 0.0001958 -0.0015306  0.5468360 -0.2206737 -1.1502840 -0.0494415  2.1021802
-0.0000878  0.0025479  0.4149079  0.5382072 -0.0568782 -1.2351860 -2.1510650
 0.0000274 -0.0006797  0.0795438  0.3628488  0.8428301  1.0061185  1.0853729
 
    305.011500     91.400030     34.958290     14.836970      6.680748
      3.029026      1.334839      0.558608      0.211743      0.084697
 
 0.0010250 -0.0013860  0.0015239 -0.0017946  0.0017850
 0.0088467 -0.0120163  0.0136362 -0.0175296  0.0261188
 0.0406831 -0.0559640  0.0625750 -0.0760590  0.0832537
 0.1232399 -0.1760541  0.2169856 -0.3077546  0.5297035
 0.2479330 -0.3491389  0.4015913 -0.4047826 -0.0462489
 0.3308668 -0.2730933 -0.1695897  0.8631571 -1.2273100
 0.3173635  0.2110472 -0.7039918  0.1240994  1.4455574
 0.2230148  0.5180431  0.1308419 -0.9362263 -0.4462594
 0.0809221  0.2610813  0.5940125  0.3962795 -0.7216395
 0.0035432  0.0202449  0.1801863  0.5183450  0.9250047
 
     16.574400      6.569500      2.603900      1.032100      0.409100
      0.162100
 
 0.0455715 -0.0941222  0.1873342
 0.2153603 -0.4366455  0.6545053
 0.4696477 -0.3740533 -0.4433802
 0.4040690  0.4286155 -0.5452492
 0.1630365  0.4724145  0.6677663
 0.0236161  0.0987123  0.2400460
 
      9.374000      3.684400      1.448200      0.569200
 
-0.0925447  0.4204175
-0.4764832  0.5515246
-0.5052273 -0.4297044
-0.1957453 -0.4738866
 


!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He    : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).      
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Na - Mg: D.E. Woon and T.H. Dunning, Jr.  (to be published)                    
!Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989) and D. E. Woon and   
!         T.H. Dunning, Jr. J. Chem. Phys. 103, 4572 (1995).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ---------                                 
! H    :  T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He   :  D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).     
! B - F:  R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 
!         6769 (1992).                                                          
!Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).

H:AUG-CC-PCVDZ                                                          
EMSL BASIS SET LIBRARY

  2
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 0.0196850  0.0000000
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 0.4781480  0.0000000
 0.5012400  1.0000000
 
      0.727000
 
 1.0000000
 

HE:AUG-CC-PCVDZ                                                          
EMSL BASIS SET LIBRARY

  2
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     38.360000      5.770000      1.240000      0.297600
 
 0.0238090  0.0000000
 0.1548910  0.0000000
 0.4699870  0.0000000
 0.5130270  1.0000000
 
      1.275000
 
 1.0000000
 

B:AUG-CC-PCVDZ                                                          
EMSL BASIS SET LIBRARY

  3
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   11    6    2
 
   4570.000000    685.900000    156.500000     44.470000     14.480000
      5.131000      1.898000      0.332900      0.104300      3.066000
      0.031050
 
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 0.2720550 -0.0597510  0.0000000  0.0000000  0.0000000
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 0.2901230 -0.1314820  0.0000000  0.0000000  0.0000000
 0.0143220  0.5395260  0.0000000  0.0000000  0.0000000
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      6.001000      1.241000      0.336400      0.095380      9.940000
      0.023780
 
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      0.343000      0.090400
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

C:AUG-CC-PCVDZ                                                          
EMSL BASIS SET LIBRARY

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      0.046900
 
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 0.4485640 -0.1499810  0.0000000  0.0000000  0.0000000
 0.2850740 -0.1272620  0.0000000  0.0000000  0.0000000
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      9.439000      2.002000      0.545600      0.151700     14.557000
      0.040410
 
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 0.4688420  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.550000      0.151000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

N:AUG-CC-PCVDZ                                                          
EMSL BASIS SET LIBRARY

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   9046.000000   1357.000000    309.300000     87.730000     28.560000
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      0.061240
 
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      0.817000      0.230000
 
 1.0000000  0.0000000
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O:AUG-CC-PCVDZ                                                          
EMSL BASIS SET LIBRARY

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   11    6    2
 
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 0.2709520 -0.1169550  0.0000000  0.0000000  0.0000000
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     17.700000      3.854000      1.046000      0.275300     26.056000
      0.068560
 
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 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      1.185000      0.332000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

F:AUG-CC-PCVDZ                                                          
EMSL BASIS SET LIBRARY

  3
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   11    6    2
 
  14710.000000   2207.000000    502.800000    142.600000     46.470000
     16.700000      6.356000      1.316000      0.389700     10.426000
      0.098630
 
 0.0007210 -0.0001650  0.0000000  0.0000000  0.0000000
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 0.0282670 -0.0064950  0.0000000  0.0000000  0.0000000
 0.1064440 -0.0266910  0.0000000  0.0000000  0.0000000
 0.2868140 -0.0736900  0.0000000  0.0000000  0.0000000
 0.4486410 -0.1707760  0.0000000  0.0000000  0.0000000
 0.2647610 -0.1123270  0.0000000  0.0000000  0.0000000
 0.0153330  0.5628140  0.0000000  0.0000000  0.0000000
-0.0023320  0.5687780  1.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     22.670000      4.977000      1.347000      0.347100     32.830000
      0.085020
 
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      1.640000      0.464000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 
!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He    : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).      
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Na - Mg: D.E. Woon and T.H. Dunning, Jr.  (to be published)                    
!Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989) and D. E. Woon and   
!         T.H. Dunning, Jr. J. Chem. Phys. 103, 4572 (1995).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ---------                                 
! H    :  T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He   :  D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).     
! B - F:  R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 
!         6769 (1992).                                                          
!Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).

H:AUG-CC-PCVTZ                                                          
EMSL BASIS SET LIBRARY

  3
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    3    2    1
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     33.870000      5.095000      1.159000      0.325800      0.102700
 
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      1.407000      0.388000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 
      1.057000
 
 1.0000000
 

HE:AUG-CC-PCVTZ                                                          
EMSL BASIS SET LIBRARY

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    234.000000     35.160000      7.989000      2.212000      0.666900
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      3.044000      0.758000
 
 1.0000000  0.0000000
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      1.965000
 
 1.0000000
 

B:AUG-CC-PCVTZ                                                          
EMSL BASIS SET LIBRARY

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C:AUG-CC-PCVTZ                                                          
EMSL BASIS SET LIBRARY

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N:AUG-CC-PCVTZ                                                          
EMSL BASIS SET LIBRARY

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O:AUG-CC-PCVTZ                                                          
EMSL BASIS SET LIBRARY

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 0.0791810 -0.0187240  0.0000000  0.0000000  0.0000000  0.0000000  
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 0.4331180 -0.1364630  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3502600 -0.1757400  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0427280  0.1609340  1.0000000  0.0000000  0.0000000  0.0000000  
-0.0081540  0.6034180  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0023810  0.3787650  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  

      0.073760

 1.0000000
 
     34.460000      7.749000      2.280000      0.715600      0.214000
     15.159000     57.437000      0.059740
 
 0.0159280  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0997400  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3104920  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4910260  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3363370  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      2.314000      0.645000     15.858000      0.214000
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      1.428000      0.500000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

F:AUG-CC-PCVTZ                                                          
EMSL BASIS SET LIBRARY

  5
    0    0    1    2    3
    6    1    6    4    2
   12    1    8    4    2
 
  19500.000000   2923.000000    664.500000    187.500000     60.620000
     21.420000      7.950000      2.257000      0.881500      0.304100
      9.812000     25.943000      
 
 0.0005070 -0.0001170  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0039230 -0.0009120  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0202000 -0.0047170  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0790100 -0.0190860  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2304390 -0.0596550  0.0000000  0.0000000  0.0000000  0.0000000  
 0.4328720 -0.1400100  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3499640 -0.1767820  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0432330  0.1716250  1.0000000  0.0000000  0.0000000  0.0000000  
-0.0078920  0.6050430  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0023840  0.3695120  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  

      0.091580

 1.0000000

     43.880000      9.926000      2.930000      0.913200      0.267200
     18.756000     71.348000      0.073610
 
 0.0166650  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1044720  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3172600  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4873430  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3346040  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      3.107000      0.855000     19.108000      0.292000
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      1.917000      0.724000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

NE:AUG-CC-PCVTZ                                                          
EMSL BASIS SET LIBRARY

  5
    0    0    1    2    3
    6    1    6    4    2
   12    1    8    4    2

  24350.000000   3650.000000    829.600000    234.000000     75.610000
     26.730000      9.927000      2.836000      1.102000      0.378200
     12.083000     31.947000      
 
 0.0005020 -0.0001180  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0038810 -0.0009150  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0199970 -0.0047370  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0784180 -0.0192330  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2296760 -0.0603690  0.0000000  0.0000000  0.0000000  0.0000000  
 0.4327220 -0.1425080  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3506420 -0.1777100  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0439110  0.1773520  1.0000000  0.0000000  0.0000000  0.0000000  
-0.0076450  0.6058360  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0023750  0.3651090  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  
 
      0.113300

  1.0000000

     54.700000     12.430000      3.679000      1.143000      0.330000
     22.827000     87.017000      0.091750
 
 0.0171510  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1076560  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3216810  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4852320  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3325840  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      4.014000      1.096000     23.168000      0.386000
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      2.544000      1.084000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 
!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He    : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).      
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Na - Mg: D.E. Woon and T.H. Dunning, Jr.  (to be published)                    
!Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989) and D. E. Woon and   
!         T.H. Dunning, Jr. J. Chem. Phys. 103, 4572 (1995).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ---------                                 
! H    :  T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He   :  D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).     
! B - F:  R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 
!         6769 (1992).                                                          
!Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).

H:AUG-CC-PCVQZ                                                          
EMSL BASIS SET LIBRARY

  4
    0    1    2    3
    4    3    2    1
    6    3    2    1
 
     82.640000     12.410000      2.824000      0.797700      0.258100
      0.089890
 
 0.0020060  0.0000000  0.0000000  0.0000000
 0.0153430  0.0000000  0.0000000  0.0000000
 0.0755790  0.0000000  0.0000000  0.0000000
 0.2568750  1.0000000  0.0000000  0.0000000
 0.4973680  0.0000000  1.0000000  0.0000000
 0.2961330  0.0000000  0.0000000  1.0000000
 
      2.292000      0.838000      0.292000
 
 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      2.062000      0.662000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 
      1.397000
 
 1.0000000
 

HE:AUG-CC-PCVQZ                                                          
EMSL BASIS SET LIBRARY

  4
    0    1    2    3
    4    3    2    1
    7    3    2    1
 
    528.500000     79.310000     18.050000      5.085000      1.609000
      0.536300      0.183300
 
 0.0009400  0.0000000  0.0000000  0.0000000
 0.0072140  0.0000000  0.0000000  0.0000000
 0.0359750  0.0000000  0.0000000  0.0000000
 0.1277820  0.0000000  0.0000000  0.0000000
 0.3084700  1.0000000  0.0000000  0.0000000
 0.4530520  0.0000000  1.0000000  0.0000000
 0.2388840  0.0000000  0.0000000  1.0000000
 
      5.994000      1.745000      0.560000
 
 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      4.299000      1.223000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 
      2.680000
 
 1.0000000
 

B:AUG-CC-PCVQZ                                                          
EMSL BASIS SET LIBRARY

  7
    0    0    1    1    2    3    4
    6    3    6    2    6    4    2
   13    3    8    2    6    4    2
 
  23870.000000   3575.000000    812.800000    229.700000     74.690000
     26.810000     10.320000      4.178000      1.727000      0.470400
      0.189600      0.073940      4.864000    

 0.0000880 -0.0000180  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0006870 -0.0001390  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0036000 -0.0007250  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0149490 -0.0030630  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0514350 -0.0105810  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1433020 -0.0313650  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3009350 -0.0710120  0.0000000  0.0000000  0.0000000  0.0000000  
 0.4035260 -0.1321030  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2253400 -0.1230720  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0154070  0.2618190  1.0000000  0.0000000  0.0000000  0.0000000  
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     13.288000     36.304000      0.027210

 1.0000000  0.0000000  0.0000000  
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 0.0000000  0.0000000  1.0000000


     22.260000      5.058000      1.487000      0.507100      0.181200
      0.064630      5.489000     16.302000   
 
 0.0050950  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000 
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000 

     48.418000      0.018780 

 1.0000000  0.0000000
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      1.110000      0.402000      0.145000      6.640000     24.462000
      0.046600
 
 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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      0.882000      0.311000     18.794000      0.113000
 
 1.0000000  0.0000000  0.0000000  0.0000000
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      0.673000      0.273000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

C:AUG-CC-PCVQZ                                                          
EMSL BASIS SET LIBRARY

  7
    0    0    1    1    2    3    4
    6    3    6    2    6    4    2
   13    3    8    2    6    4    2
 
  33980.000000   5089.000000   1157.000000    326.600000    106.100000
     38.110000     14.750000      6.035000      2.530000      0.735500
      0.290500      0.111100      7.216000    

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     19.570000     53.073000      0.041450

 1.0000000  0.0000000  0.0000000
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     34.510000      7.915000      2.368000      0.813200      0.289000
      0.100700      8.182000     24.186000    
 
 0.0053780  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
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     71.494000      0.032180

 1.0000000  0.0000000
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      1.848000      0.649000      0.228000      8.656000     33.213000
      0.076600
 
 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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      1.419000      0.485000     24.694000      0.187000
 
 1.0000000  0.0000000  0.0000000  0.0000000
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      1.011000      0.424000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

N:AUG-CC-PCVQZ                                                          
EMSL BASIS SET LIBRARY

  7
    0    0    1    1    2    3    4
    6    3    6    2    6    4    2
   13    3    8    2    6    4    2
 
  45840.000000   6868.000000   1563.000000    442.400000    144.300000
     52.180000     20.340000      8.381000      3.529000      1.054000
      0.411800      0.155200      9.862000    
 
 0.0000920 -0.0000200  0.0000000  0.0000000  0.0000000  0.0000000  
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     26.627000     71.894000      0.054640

 1.0000000  0.0000000  0.0000000 
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     49.330000     11.370000      3.435000      1.182000      0.417300
      0.142800     11.320000     33.349000     
 
 0.0055330  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
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      98.245000      0.044020

 1.0000000  0.0000000 
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      2.837000      0.968000      0.335000     11.828000     45.218000
      0.111000
 
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      2.027000      0.685000     28.364000      0.245000
 
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      1.427000      0.559000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

O:AUG-CC-PCVQZ                                                          
EMSL BASIS SET LIBRARY

  7
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    6    3    6    2    6    4    2
   13    3    8    2    6    4    2
 
  61420.000000   9199.000000   2091.000000    590.900000    192.300000
     69.320000     26.970000     11.100000      4.682000      1.428000
      0.554700      0.206700     12.974000    
 
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 0.2169800 -0.1153310  0.0000000  0.0000000  0.0000000  0.0000000  
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     34.900000     93.881000      0.069590

 1.0000000  0.0000000  0.0000000  
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     63.420000     14.660000      4.459000      1.531000      0.530200
      0.175000     14.475000     42.730000    
 
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    126.140000      0.053480

  1.0000000  0.0000000
  0.0000000  1.0000000

      3.775000      1.300000      0.444000     14.927000     57.544000
      0.154000
 
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 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      2.666000      0.859000     26.483000      0.324000
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      1.846000      0.714000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

F:AUG-CC-PCVQZ                                                          
EMSL BASIS SET LIBRARY

  7
    0    0    1    1    2    3    4
    6    3    6    2    6    4    2
   13    3    8    2    6    4    2
 
  74530.000000  11170.000000   2543.000000    721.000000    235.900000
     85.600000     33.550000     13.930000      5.915000      1.843000
      0.712400      0.263700     16.319000    
 
 0.0000950 -0.0000220  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0007380 -0.0001720  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0038580 -0.0008910  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0159260 -0.0037480  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0542890 -0.0128620  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1495130 -0.0380610  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3082520 -0.0862390  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3948530 -0.1558650  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2110310 -0.1109140  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0171510  0.2987610  1.0000000  0.0000000  0.0000000  0.0000000  
-0.0020150  0.5850130  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0008690  0.2711590  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  

     43.784000    117.472000      0.085940

 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000

     80.390000     18.630000      5.694000      1.953000      0.670200
      0.216600     18.119000     53.505000   
 
 0.0063470  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0442040  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1685140  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3615630  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4421780  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2434350  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000

    158.001000      0.065680

 1.0000000  0.0000000
 0.0000000  1.0000000

      5.014000      1.725000      0.586000     18.943000     72.798000
      0.207000
 
 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      3.562000      1.148000     25.161000      0.460000
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      2.376000      0.924000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

NE:AUG-CC-PCVQZ                                                          
EMSL BASIS SET LIBRARY

  7
    0    0    1    1    2    3    4
    6    3    6    2    6    4    2
   13    3    8    2    6    4    2
 
  99920.000000  14960.000000   3399.000000    958.900000    311.200000
    111.700000     43.320000     17.800000      7.503000      2.337000
      0.900100      0.330100     20.180000    
 
 0.0000860 -0.0000200  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0006690 -0.0001580  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0035180 -0.0008240  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0146670 -0.0035000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0509620 -0.0122330  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1437440 -0.0370170  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3045620 -0.0861130  0.0000000  0.0000000  0.0000000  0.0000000  
 0.4001050 -0.1583810  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2186440 -0.1142880  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0186640  0.2981910  1.0000000  0.0000000  0.0000000  0.0000000  
-0.0021670  0.5857840  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0009510  0.2724670  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  

     54.042000    144.725000      0.105400

 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000

     99.680000     23.150000      7.108000      2.441000      0.833900
      0.266200     22.222000     65.622000  
 
 0.0065660  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 
 0.0459790  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 
 0.1734190  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000 
 0.3645710  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000 
 0.4381850  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000 
 0.2416800  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000 
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000 
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000 

    193.780000      0.081780

 1.0000000  0.0000000 
 0.0000000  1.0000000 

     6.471000      2.213000      0.747000     23.613000     90.107000
      0.273000
 
 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      4.657000      1.524000     28.830000      0.689000
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      2.983000      1.224000
 
 1.0000000  0.0000000
 0.0000000  1.0000000

!
!  REFERENCE
!Elements                             References
!--------                             ----------
!H      : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
!He     : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).
!Li     : Unofficial set from D. Feller.
!B  - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
!Na - Mg: Unofficial set from D. Feller.
!Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ----------
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989) and D. E. Woon and
!         T.H. Dunning, Jr. J. Chem. Phys. 103, 4572 (1995).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References
!--------                             ---------
! H    :  T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
!         Diffuse s exponent - S. Mielke
! He   :  D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
! B - F:  R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96,
!         6769 (1992).
!Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
 
H:AUG-CC-PCV5Z                                                          
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    5    4    3    2    1
    8    4    3    2    1
 
    402.000000     60.240000     13.730000      3.905000      1.283000
      0.465500      0.181100      0.072790
 
 0.0002790  0.0000000  0.0000000  0.0000000  0.0000000
 0.0021650  0.0000000  0.0000000  0.0000000  0.0000000
 0.0112010  0.0000000  0.0000000  0.0000000  0.0000000
 0.0448780  0.0000000  0.0000000  0.0000000  0.0000000
 0.1422990  1.0000000  0.0000000  0.0000000  0.0000000
 0.3309790  0.0000000  1.0000000  0.0000000  0.0000000
 0.4362690  0.0000000  0.0000000  1.0000000  0.0000000
 0.1764400  0.0000000  0.0000000  0.0000000  1.0000000
 
      4.516000      1.712000      0.649000      0.246000
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      2.950000      1.206000      0.493000
 
 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      2.506000      0.875000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 
      2.358000
 
 1.0000000
 

HE:AUG-CC-PCV5Z                                                          
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    5    4    3    2    1
    8    4    3    2    1
 
   1145.000000    171.700000     39.070000     11.040000      3.566000
      1.240500      0.447300      0.164000
 
 0.0003590  0.0000000  0.0000000  0.0000000  0.0000000
 0.0027710  0.0000000  0.0000000  0.0000000  0.0000000
 0.0142510  0.0000000  0.0000000  0.0000000  0.0000000
 0.0555660  0.0000000  0.0000000  0.0000000  0.0000000
 0.1620910  1.0000000  0.0000000  0.0000000  0.0000000
 0.3321970  0.0000000  1.0000000  0.0000000  0.0000000
 0.4196150  0.0000000  0.0000000  1.0000000  0.0000000
 0.1861280  0.0000000  0.0000000  0.0000000  1.0000000
 
     10.153000      3.627000      1.296000      0.463000
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      7.666000      2.647000      0.914000
 
 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      5.411000      1.707000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 
      3.430000
 
 1.0000000
 

B:AUG-CC-PCV5Z                                                          
EMSL BASIS SET LIBRARY

  9
    0    0    1    1    2    2    3    4    5
    6    5    6    4    6    2    6    4    2
   14    5    9    4    6    2    6    4    2
 
  68260.000000  10230.000000   2328.000000    660.400000    216.200000
     78.600000     30.980000     12.960000      5.659000      2.556000
      1.175000      0.424900      0.171200      0.069130     
 
 0.0000240 -0.0000050  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0001850 -0.0000370  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0009700 -0.0001960  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0040560 -0.0008240  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0143990 -0.0029230  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0439010 -0.0091380  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1130570 -0.0241050  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2338250 -0.0547550  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3539600 -0.0969430  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3015470 -0.1374850  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0875210 -0.0445650  1.0000000  0.0000000  0.0000000  0.0000000  
 0.0028190  0.3243450  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000430  0.5704140  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000780  0.2434440  0.0000000  0.0000000  0.0000000  1.0000000  

      6.411000     14.521000     32.890000     74.496000      0.026100

 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  

     66.440000     15.710000      4.936000      1.770000      0.700800
      0.290100      0.121100      0.049730      5.172000     
 
 0.0008380  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0064090  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0280810  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0921520  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2241640  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3699150  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  
 0.3744410  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  
 0.1390860  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  
 
     13.225000     33.816000     86.467000      0.015700

 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000

      2.010000      0.796000      0.316000      0.125000      7.066000
     19.721000   
 
 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  

   55.042000      0.043100

 1.0000000  0.0000000  
 0.0000000  1.0000000  

      1.215000      0.525000      0.227000      9.994000     33.090000
      0.084300
 
 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      1.124000      0.461000     24.020000      0.202000
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.834000      0.384000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

C:AUG-CC-PCV5Z                                                          
EMSL BASIS SET LIBRARY

  9
    0    0    1    1    2    2    3    4    5
    6    5    6    4    6    2    6    4    2
   14    5    9    4    6    2    6    4    2
 
  96770.000000  14500.000000   3300.000000    935.800000    306.200000
    111.300000     43.900000     18.400000      8.054000      3.637000
      1.656000      0.633300      0.254500      0.101900      
 
 0.0000250 -0.0000050  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0001900 -0.0000410  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0010000 -0.0002130  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0041830 -0.0008970  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0148590 -0.0031870  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0453010 -0.0099610  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1165040 -0.0263750  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2402490 -0.0600010  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3587990 -0.1068250  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2939410 -0.1441660  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0776650 -0.0246442  1.0000000  0.0000000  0.0000000  0.0000000  
 0.0023330  0.3490090  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0005050  0.5587370  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000300  0.2281020  0.0000000  0.0000000  0.0000000  1.0000000  
 
      9.185000     20.795000     47.080000    106.588000      0.039400

 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  

    101.800000     24.040000      7.571000      2.732000      1.085000
      0.449600      0.187600      0.076060      7.668000    
 
 0.0008910  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0069760  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0316690  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1040060  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2416330  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3719460  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  
 0.3542000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  
 0.1315680  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  

     19.484000     49.510000    125.804000      0.027200

 1.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  1.0000000  

      3.134000      1.233000      0.485000      0.191000     10.009000
     28.065000    
 
 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  
 
     78.695000      0.070100

 1.0000000  0.0000000
 0.0000000  1.0000000 

      2.006000      0.838000      0.350000     11.693000     41.569000
      0.138000
 
 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      1.753000      0.678000     32.780000      0.319000
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      1.259000      0.586000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

N:AUG-CC-PCV5Z                                                          
EMSL BASIS SET LIBRARY

  9
    0    0    1    1    2    2    3    4    5
    6    5    6    4    6    2    6    4    2
   14    5    9    4    6    2    6    4    2
 
 129200.000000  19350.000000   4404.000000   1248.000000    408.000000
    148.200000     58.500000     24.590000     10.810000      4.882000
      2.195000      0.871500      0.350400      0.139700    
 
 0.0000250 -0.0000060  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0001970 -0.0000430  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0010320 -0.0002270  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0043250 -0.0009580  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0153800 -0.0034160  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0468670 -0.0106670  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1201160 -0.0282790  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2456950 -0.0640200  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3613790 -0.1139320  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2872830 -0.1469950  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0701710 -0.0072510  1.0000000  0.0000000  0.0000000  0.0000000  
 0.0018310  0.3661830  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0008350  0.5479080  0.0000000  0.0000000  1.0000000  0.0000000  
-0.0000060  0.2166450  0.0000000  0.0000000  0.0000000  1.0000000  

     12.275000     27.827000     63.085000    143.013000      0.051800 

 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000 
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000 
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000 
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000 
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000 

    147.000000     34.760000     11.000000      3.995000      1.587000
      0.653300      0.268600      0.106700     10.760000    
 
 0.0008920  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
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     39.081000  
 
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      2.942000      1.204000      0.493000     14.357000     52.690000
      0.192000
 
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O:AUG-CC-PCV5Z                                                          
EMSL BASIS SET LIBRARY

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F:AUG-CC-PCV5Z                                                          
EMSL BASIS SET LIBRARY

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      3.538000      1.458000      0.588700      0.232400    
 
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    241.900000     57.170000     18.130000      6.624000      2.622000
      1.057000      0.417600      0.157400     17.306000    
 
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     43.663000    110.162000    277.938000      0.055000

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      7.760000      3.032000      1.185000      0.463000     21.731000
     60.955000   
 
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    170.890000      0.172000

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      5.398000      2.078000      0.800000     22.337000     82.290000
      0.331000
 
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      4.338000      1.513000     49.727000      0.663000
 
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      2.995000      1.326000
 
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!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He    : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).      
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Na - Mg: D.E. Woon and T.H. Dunning, Jr.  (to be published)                    
!Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ---------                                 
! H    :  T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He   :  D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).     
! B - F:  R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 
!         6769 (1992).                                                          
!Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).

H:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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      0.727000      0.141000
 
 1.0000000  0.0000000
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HE:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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     38.360000      5.770000      1.240000      0.297600      0.072550
 
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      1.275000      0.247300
 
 1.0000000  0.0000000
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B:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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C:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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N:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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O:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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F:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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NE:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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AL:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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SI:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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P:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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S:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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CL:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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AR:AUG-CC-PVDZ                                                           
EMSL BASIS SET LIBRARY

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!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He    : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).      
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Na - Mg: D.E. Woon and T.H. Dunning, Jr.  (to be published)                    
!Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ---------                                 
! H    :  T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He   :  D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).     
! B - F:  R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 
!         6769 (1992).                                                          
!Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).

H:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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HE:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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B:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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C:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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N:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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O:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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F:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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NE:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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AL:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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SI:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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P:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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S:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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CL:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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AR:AUG-CC-PVTZ                                                           
EMSL BASIS SET LIBRARY

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!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He    : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).      
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Na - Mg: D.E. Woon and T.H. Dunning, Jr.  (to be published)                    
!Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ---------                                 
! H    :  T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He   :  D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).     
! B - F:  R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 
!         6769 (1992).                                                          
!Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).

H:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

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HE:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

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B:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

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      0.064630      0.018780
 
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C:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

  5
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    6    5    4    3    2
   13    7    4    3    2
 
  33980.000000   5089.000000   1157.000000    326.600000    106.100000
     38.110000     14.750000      6.035000      2.530000      0.735500
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     34.510000      7.915000      2.368000      0.813200      0.289000
      0.100700      0.032180
 
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 1.0000000  0.0000000
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N:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    6    5    4    3    2
   13    7    4    3    2
 
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     49.330000     11.370000      3.435000      1.182000      0.417300
      0.142800      0.044020
 
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 1.0000000  0.0000000
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O:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    6    5    4    3    2
   13    7    4    3    2
 
  61420.000000   9199.000000   2091.000000    590.900000    192.300000
     69.320000     26.970000     11.100000      4.682000      1.428000
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     63.420000     14.660000      4.459000      1.531000      0.530200
      0.175000      0.053480
 
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F:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

  5
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    6    5    4    3    2
   13    7    4    3    2
 
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NE:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

  5
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    6    5    4    3    2
   13    7    4    3    2
 
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AL:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

  6
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    6    1    6    4    3    2
   16    1   12    4    3    2
 
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 1.0000000

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SI:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

  6
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    6    1    6    4    3    2
   16    1   12    4    3    2
 
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 1.0000000

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 1.0000000  0.0000000
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P:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

  6
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    6    1    6    4    3    2
   16    1   12    4    3    2
 
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      7.056000      3.130000      1.394000      0.517900      0.203200
      0.076980      0.027200
 
 0.0004210 -0.0001008  0.0000000  0.0000000  0.0000000  0.0000000
 0.0036099 -0.0008545  0.0000000  0.0000000  0.0000000  0.0000000
 0.0189217 -0.0045712  0.0000000  0.0000000  0.0000000  0.0000000
 0.0705560 -0.0170327  0.0000000  0.0000000  0.0000000  0.0000000
 0.1881570 -0.0475204  0.0000000  0.0000000  0.0000000  0.0000000
 0.3387090 -0.0852786  0.0000000  0.0000000  0.0000000  0.0000000
 0.3819430 -0.1096760  0.0000000  0.0000000  0.0000000  0.0000000
 0.1952610 -0.0161181  0.0000000  0.0000000  0.0000000  0.0000000
 0.0199416  0.3228930  1.0000000  0.0000000  0.0000000  0.0000000
-0.0013512  0.5457380  0.0000000  1.0000000  0.0000000  0.0000000
 0.0005171  0.2685380  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      0.165000      0.413000      1.036000      0.059400
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.280000      0.703000      0.109000
 
 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.597000      0.250000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

S:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

  6
    0    0    1    2    3    4
    6    1    6    4    3    2
   16    1   12    4    3    2
 
 727800.000000 109000.000000  24800.000000   7014.000000   2278.000000
    814.700000    313.400000    127.700000     54.480000     23.850000
      9.428000      4.290000      1.909000      0.627000      0.287300
      0.117200    
 
 0.0000236 -0.0000065  0.0000019  0.0000000  0.0000000  0.0000000  
 0.0001835 -0.0000507  0.0000147  0.0000000  0.0000000  0.0000000  
 0.0009643 -0.0002668  0.0000775  0.0000000  0.0000000  0.0000000  
 0.0040654 -0.0011260  0.0003265  0.0000000  0.0000000  0.0000000  
 0.0146973 -0.0041119  0.0011969  0.0000000  0.0000000  0.0000000  
 0.0465081 -0.0132454  0.0038480  0.0000000  0.0000000  0.0000000  
 0.1255080 -0.0377004  0.0110539  0.0000000  0.0000000  0.0000000  
 0.2684330 -0.0898554  0.0264645  0.0000000  0.0000000  0.0000000  
 0.3848090 -0.1670980  0.0508771  0.0000000  0.0000000  0.0000000  
 0.2653720 -0.1693540  0.0530030  0.0000000  0.0000000  0.0000000  
 0.0437326  0.1278240 -0.0425518  0.0000000  0.0000000  0.0000000  
-0.0037881  0.5648620 -0.2508530  0.0000000  0.0000000  0.0000000  
 0.0021808  0.4317670 -0.3331520  0.0000000  0.0000000  0.0000000  
-0.0008369  0.0389398  0.2637960  1.0000000  0.0000000  0.0000000  
 0.0004481 -0.0073026  0.6668490  0.0000000  1.0000000  0.0000000  
-0.0001253  0.0019233  0.2884510  0.0000000  0.0000000  1.0000000  

      0.042800 

 1.0000000

   1546.000000    366.400000    118.400000     44.530000     18.380000
      7.965000      3.541000      1.591000      0.620500      0.242000
      0.090140      0.031700
 
 0.0004412 -0.0001131  0.0000000  0.0000000  0.0000000  0.0000000
 0.0037757 -0.0009586  0.0000000  0.0000000  0.0000000  0.0000000
 0.0198360 -0.0051347  0.0000000  0.0000000  0.0000000  0.0000000
 0.0742063 -0.0192641  0.0000000  0.0000000  0.0000000  0.0000000
 0.1973270 -0.0535980  0.0000000  0.0000000  0.0000000  0.0000000
 0.3518510 -0.0960333  0.0000000  0.0000000  0.0000000  0.0000000
 0.3786870 -0.1181830  0.0000000  0.0000000  0.0000000  0.0000000
 0.1709310  0.0092319  0.0000000  0.0000000  0.0000000  0.0000000
 0.0151587  0.3588410  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000672  0.5258180  0.0000000  1.0000000  0.0000000  0.0000000
 0.0004055  0.2488720  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      0.203000      0.504000      1.250000      0.074800
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.335000      0.869000      0.140000
 
 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.683000      0.297000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

CL:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

  6
    0    0    1    2    3    4
    6    1    6    4    3    2
   16    1   12    4    3    2
 
 834900.000000 125000.000000  28430.000000   8033.000000   2608.000000
    933.900000    360.000000    147.000000     62.880000     27.600000
     11.080000      5.075000      2.278000      0.777500      0.352700
      0.143100     
 
 0.0000232 -0.0000065  0.0000020  0.0000000  0.0000000  0.0000000  
 0.0001802 -0.0000505  0.0000153  0.0000000  0.0000000  0.0000000  
 0.0009478 -0.0002661  0.0000806  0.0000000  0.0000000  0.0000000  
 0.0040014 -0.0011250  0.0003400  0.0000000  0.0000000  0.0000000  
 0.0144629 -0.0041050  0.0012455  0.0000000  0.0000000  0.0000000  
 0.0456586 -0.0131987  0.0039961  0.0000000  0.0000000  0.0000000  
 0.1232480 -0.0375342  0.0114751  0.0000000  0.0000000  0.0000000  
 0.2643690 -0.0897233  0.0275504  0.0000000  0.0000000  0.0000000  
 0.3829890 -0.1676710  0.0532917  0.0000000  0.0000000  0.0000000  
 0.2709340 -0.1747630  0.0571246  0.0000000  0.0000000  0.0000000  
 0.0471404  0.1149090 -0.0395201  0.0000000  0.0000000  0.0000000  
-0.0037177  0.5636180 -0.2643430  0.0000000  0.0000000  0.0000000  
 0.0021916  0.4416060 -0.3492910  0.0000000  0.0000000  0.0000000  
-0.0008499  0.0426697  0.2696710  1.0000000  0.0000000  0.0000000  
 0.0004247 -0.0066723  0.6760730  0.0000000  1.0000000  0.0000000  
-0.0001200  0.0019073  0.2846790  0.0000000  0.0000000  1.0000000  

      0.051900

 1.0000000
 
   1703.000000    403.600000    130.300000     49.050000     20.260000
      8.787000      3.919000      1.765000      0.720700      0.283900
      0.106000      0.037600
 
 0.0004740 -0.0001283  0.0000000  0.0000000  0.0000000  0.0000000
 0.0040641 -0.0010936  0.0000000  0.0000000  0.0000000  0.0000000
 0.0213355 -0.0058343  0.0000000  0.0000000  0.0000000  0.0000000
 0.0794611 -0.0219258  0.0000000  0.0000000  0.0000000  0.0000000
 0.2089270 -0.0601385  0.0000000  0.0000000  0.0000000  0.0000000
 0.3649450 -0.1069290  0.0000000  0.0000000  0.0000000  0.0000000
 0.3717250 -0.1224540  0.0000000  0.0000000  0.0000000  0.0000000
 0.1462920  0.0383619  0.0000000  0.0000000  0.0000000  0.0000000
 0.0107906  0.3852560  1.0000000  0.0000000  0.0000000  0.0000000
 0.0011700  0.5072650  0.0000000  1.0000000  0.0000000  0.0000000
 0.0003394  0.2272180  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      0.254000      0.628000      1.551000      0.095200
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.423000      1.089000      0.217000
 
 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.827000      0.378000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

AR:AUG-CC-PVQZ                                                           
EMSL BASIS SET LIBRARY

  6
    0    0    1    2    3    4
    6    1    6    4    3    2
   16    1   12    4    3    2

 950600.000000 142300.000000  32360.000000   9145.000000   2970.000000
   1064.000000    410.800000    168.000000     71.990000     31.670000
     12.890000      5.929000      2.678000      0.941600      0.423900
      0.171400      
 
 0.0000228 -0.0000065  0.0000020  0.0000000  0.0000000  0.0000000  
 0.0001769 -0.0000502  0.0000157  0.0000000  0.0000000  0.0000000  
 0.0009313 -0.0002648  0.0000829  0.0000000  0.0000000  0.0000000  
 0.0039286 -0.0011190  0.0003493  0.0000000  0.0000000  0.0000000  
 0.0142064 -0.0040828  0.0012798  0.0000000  0.0000000  0.0000000  
 0.0448114 -0.0131216  0.0041037  0.0000000  0.0000000  0.0000000  
 0.1210010 -0.0372855  0.0117789  0.0000000  0.0000000  0.0000000  
 0.2605790 -0.0894709  0.0283868  0.0000000  0.0000000  0.0000000  
 0.3813640 -0.1680540  0.0552406  0.0000000  0.0000000  0.0000000  
 0.2760580 -0.1795940  0.0607492  0.0000000  0.0000000  0.0000000  
 0.0505179  0.1029530 -0.0362012  0.0000000  0.0000000  0.0000000  
-0.0035987  0.5626300 -0.2753980  0.0000000  0.0000000  0.0000000  
 0.0021880  0.4503550 -0.3628450  0.0000000  0.0000000  0.0000000  
-0.0008624  0.0460607  0.2731180  1.0000000  0.0000000  0.0000000  
 0.0004052 -0.0060369  0.6828990  0.0000000  1.0000000  0.0000000  
-0.0001162  0.0018874  0.2834170  0.0000000  0.0000000  1.0000000  

      0.061000
 
  1.000000

   1890.000000    447.800000    144.600000     54.460000     22.510000
      9.774000      4.368000      1.959000      0.826000      0.329700
      0.124200      0.043500
 
 0.0004958 -0.0001389  0.0000000  0.0000000  0.0000000  0.0000000
 0.0042517 -0.0011887  0.0000000  0.0000000  0.0000000  0.0000000
 0.0223277 -0.0063255  0.0000000  0.0000000  0.0000000  0.0000000
 0.0830878 -0.0238813  0.0000000  0.0000000  0.0000000  0.0000000
 0.2171100 -0.0649238  0.0000000  0.0000000  0.0000000  0.0000000
 0.3745070 -0.1154440  0.0000000  0.0000000  0.0000000  0.0000000
 0.3664450 -0.1236510  0.0000000  0.0000000  0.0000000  0.0000000
 0.1292450  0.0649055  0.0000000  0.0000000  0.0000000  0.0000000
 0.0069225  0.4036330  1.0000000  0.0000000  0.0000000  0.0000000
 0.0008361  0.4905920  0.0000000  1.0000000  0.0000000  0.0000000
-0.0001527  0.2085280  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      0.311000      0.763000      1.873000      0.116000
 
 1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      0.543000      1.325000      0.294000
 
 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      1.007000      0.459000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 
!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
!H      : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!He     : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).      
!Li     : Unofficial set from D. Feller.                                        
!B  - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Na - Mg: Unofficial set from D. Feller.                                        
!Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ---------                                 
! H    :  T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!         Diffuse s exponent - S. Mielke                                        
! He   :  D.E. Woon and T.H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).     
! B - F:  R.A. Kendall, T.H. Dunning, Jr. and R.J. Harrison, J. Chem. Phys. 96, 
!         6769 (1992).                                                          
!Al - Cl: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).

H:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    6    5    4    3    2
    9    5    4    3    2
 
    402.000000     60.240000     13.730000      3.905000      1.283000
      0.465500      0.181100      0.072790      0.020700
 
 0.0002790  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0021650  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0112010  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0448780  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1422990  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3309790  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.4362690  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.1764400  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      4.516000      1.712000      0.649000      0.246000      0.074400
 
 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      2.950000      1.206000      0.493000      0.156000
 
 1.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      2.506000      0.875000      0.274000
 
 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      2.358000      0.543000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

HE:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  5
    0    1    2    3    4
    6    5    4    3    2
    9    5    4    3    2
 
   1145.000000    171.700000     39.070000     11.040000      3.566000
      1.240500      0.447300      0.164000      0.031090
 
 0.0003590  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0027710  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0142510  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0555660  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1620910  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3321970  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.4196150  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.1861280  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     10.153000      3.627000      1.296000      0.463000      0.140000
 
 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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      7.666000      2.647000      0.914000      0.289200
 
 1.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
      5.411000      1.707000      0.534500
 
 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      3.430000      0.789900
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

B:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  7
    0    0    1    2    3    4    5
    6    1    6    5    4    3    2
   14    1    9    5    4    3    2
 
  68260.000000  10230.000000   2328.000000    660.400000    216.200000
     78.600000     30.980000     12.960000      5.659000      2.556000
      1.175000      0.424900      0.171200      0.069130      
 
 0.0000240 -0.0000050  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0001850 -0.0000370  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0009700 -0.0001960  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0040560 -0.0008240  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0143990 -0.0029230  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0439010 -0.0091380  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1130570 -0.0241050  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2338250 -0.0547550  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3539600 -0.0969430  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3015470 -0.1374850  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0875210 -0.0445650  1.0000000  0.0000000  0.0000000  0.0000000  
 0.0028190  0.3243450  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000430  0.5704140  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000780  0.2434440  0.0000000  0.0000000  0.0000000  1.0000000  

      0.026100

 1.0000000

     66.440000     15.710000      4.936000      1.770000      0.700800
      0.290100      0.121100      0.049730      0.015700
 
 0.0008380  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0064090  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0280810  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0921520  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2241640  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3699150  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.3744410  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.1390860  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      2.010000      0.796000      0.316000      0.125000      0.043100
 
 1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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      1.215000      0.525000      0.227000      0.084300
 
 1.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  1.0000000
 
      1.124000      0.461000      0.202000
 
 1.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      0.834000      0.384000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

C:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  7
    0    0    1    2    3    4    5
    6    1    6    5    4    3    2
   14    1    9    5    4    3    2
 
  96770.000000  14500.000000   3300.000000    935.800000    306.200000
    111.300000     43.900000     18.400000      8.054000      3.637000
      1.656000      0.633300      0.254500      0.101900      
 
 0.0000250 -0.0000050  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0001900 -0.0000410  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0010000 -0.0002130  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0041830 -0.0008970  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0148590 -0.0031870  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0453010 -0.0099610  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1165040 -0.0263750  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2402490 -0.0600010  0.0000000  0.0000000  0.0000000  0.0000000  
 0.3587990 -0.1068250  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2939410 -0.1441660  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0776650 -0.0246442  1.0000000  0.0000000  0.0000000  0.0000000  
 0.0023330  0.3490090  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0005050  0.5587370  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000300  0.2281020  0.0000000  0.0000000  0.0000000  1.0000000  

      0.039400

 1.0000000
 
    101.800000     24.040000      7.571000      2.732000      1.085000
      0.449600      0.187600      0.076060      0.027200
 
 0.0008910  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0069760  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0316690  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1040060  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2416330  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3719460  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.3542000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.1315680  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
      3.134000      1.233000      0.485000      0.191000      0.070100
 
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      2.006000      0.838000      0.350000      0.138000
 
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      1.753000      0.678000      0.319000
 
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      1.259000      0.586000
 
 1.0000000  0.0000000
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N:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  7
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    6    1    6    5    4    3    2
   14    1    9    5    4    3    2

 129200.000000  19350.000000   4404.000000   1248.000000    408.000000
    148.200000     58.500000     24.590000     10.810000      4.882000
      2.195000      0.871500      0.350400      0.139700      
 
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      0.653300      0.268600      0.106700      0.036900
 
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      1.768000      0.788000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

O:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  7
    0    0    1    2    3    4    5
    6    1    6    5    4    3    2
   14    1    9    5    4    3    2
 
 164200.000000  24590.000000   5592.000000   1582.000000    516.100000
    187.200000     73.930000     31.220000     13.810000      6.256000
      2.776000      1.138000      0.460000      0.182900      
 
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 1.0000000

    195.500000     46.160000     14.580000      5.296000      2.094000
      0.847100      0.336800      0.128500      0.044600
 
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      3.350000      1.189000      0.517000
 
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      2.319000      1.024000
 
 1.0000000  0.0000000
 0.0000000  1.0000000
 

F:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  7
    0    0    1    2    3    4    5
    6    1    6    5    4    3    2
   14    1    9    5    4    3    2
 
 211400.000000  31660.000000   7202.000000   2040.000000    666.400000
    242.000000     95.530000     40.230000     17.720000      8.005000
      3.538000      1.458000      0.588700      0.232400      
 
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 1.0000000

    241.900000     57.170000     18.130000      6.624000      2.622000
      1.057000      0.417600      0.157400      0.055000
 
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      2.995000      1.326000
 
 1.0000000  0.0000000
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NE:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  7
    0    0    1    2    3    4    5
    6    1    6    5    4    3    2
   14    1    9    5    4    3    2

 262700.000000  39350.000000   8955.000000   2538.000000    829.900000
    301.500000    119.000000     50.000000     21.980000      9.891000
      4.327000      1.804000      0.728800      0.286700      
 
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 1.000000

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      1.315000      0.515800      0.191800      0.065400
 
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      7.090000      2.738000      1.057000      0.425000
 
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      3.776000      1.628000
 
 1.0000000  0.0000000
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AL:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  6
    0    1    2    3    4    5
    8    7    5    4    3    2
   21   13    5    4    3    2
 
3269000.000000 489400.000000 111400.000000  31560.000000  10320.000000
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     56.320000     27.190000     13.260000      6.052000      2.981000
      1.476000      0.733400      0.244700      0.108800      0.046720
      0.017700

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      7.852000      3.571000      1.637000      0.738200      0.257700
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      0.446000      0.227000
 
 1.0000000  0.0000000
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SI:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  6
    0    1    2    3    4    5
    8    7    5    4    3    2
   21   13    5    4    3    2
 
3948000.000000 591100.000000 134500.000000  38120.000000  12460.000000
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     67.970000     32.820000     16.030000      7.396000      3.661000
      1.823000      0.914700      0.339300      0.150000      0.064380
      0.026000
 
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   1780.000000    421.800000    136.700000     51.810000     21.600000
      9.563000      4.350000      2.006000      0.920500      0.350000
      0.138100      0.053380      0.019200
 
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P:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  6
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    8    7    5    4    3    2
   21   13    5    4    3    2
 
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 1.0000000  0.0000000
 0.0000000  1.0000000
 

S:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  6
    0    1    2    3    4    5
    8    7    5    4    3    2
   21   13    5    4    3    2
 
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     93.920000     45.340000     22.150000     10.340000      5.119000
      2.553000      1.282000      0.545000      0.241100      0.103500
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 1.0000000  0.0000000
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CL:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  6
    0    1    2    3    4    5
    8    7    5    4    3    2
   21   13    5    4    3    2
 
6410000.000000 959600.000000 218300.000000  61810.000000  20140.000000
   7264.000000   2832.000000   1175.000000    512.600000    233.000000
    109.500000     52.860000     25.840000     12.170000      6.030000
      3.012000      1.511000      0.660400      0.292600      0.125400
      0.047900
 
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      0.320000      0.656000      1.345000      0.164000
 
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      1.053000      0.607000
 
 1.0000000  0.0000000
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AR:AUG-CC-PV5Z                                                           
EMSL BASIS SET LIBRARY

  6
    0    1    2    3    4    5
    8    7    5    4    3    2
   21   13    5    4    3    2
 
7401000.0000001108000.000000 252100.000000  71380.000000  23260.000000
   8390.000000   3271.000000   1357.000000    592.000000    269.100000
    126.500000     61.030000     29.860000     14.170000      7.022000
      3.511000      1.758000      0.784100      0.348000      0.149100
      0.053800
 
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   2927.000000    693.500000    224.700000     85.170000     35.530000
     15.730000      7.165000      3.322000      1.478000      0.655200
      0.275100      0.109700      0.040200
 
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      0.309000      0.770000      1.917000      4.776000      0.121000
 
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      0.408000      0.825000      1.668000      0.209000
 
 1.0000000  0.0000000  0.0000000  0.0000000
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      0.665000      1.562000      0.334000
 
 1.0000000  0.0000000  0.0000000
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      1.264000      0.742000
 
 1.0000000  0.0000000
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!
!  REFERENCE
!R. C. BINNING AND L. A. CURTISS-SV, J. COMP. CHEM. 11, 1206 (1990).
!T. H. DUNNING, JR. J. CHEM. PHYS. 66, 1382 (1977).

GA:BINNING/CURTISS-SV                                                       
EMSL BASIS SET LIBRARY

  3
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    6    4    1
   14   11    5
 
 457600.000000  68470.000000  15590.000000   4450.000000   1472.000000
    541.300000    214.800000     88.810000     27.180000     11.540000
      3.303000      1.334000      0.194700      0.071580
 
 0.0002210  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.2816300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4481000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   3274.000000    765.400000    241.600000     89.390000     36.360000
     15.600000      6.472000      2.748000      1.090000      0.220200
      0.061300
 
 0.0014740  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  1.0000000
 
     59.660000     17.100000      6.030000      2.171000      0.684400
 
 0.0319600
 0.1635800
 0.3672000
 0.4570400
 0.3047700
 

GE:BINNING/CURTISS-SV                                                       
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    4    1
   14   11    5
 
 489000.000000  73100.000000  16640.000000   4742.000000   1569.000000
    577.000000    229.000000     94.810000     29.220000     12.450000
      3.642000      1.502000      0.246200      0.092090
 
 0.0002220  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.1128400  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.4344900  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3068300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.4775900  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.1144500  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   3596.000000    843.700000    266.200000     98.280000     39.930000
     17.140000      7.157000      3.068000      1.246000      0.279500
      0.083400
 
 0.0014420  0.0000000  0.0000000  0.0000000
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 0.0000000  0.2889600  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
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     70.180000     20.070000      7.059000      2.553000      0.830100
 
 0.0287700
 0.1552500
 0.3681400
 0.4657800
 0.2864800
 

AS:BINNING/CURTISS-SV                                                       
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    4    1
   14   11    5
 
 526200.000000  78310.000000  17800.000000   5070.000000   1677.000000
    617.000000    245.000000    101.500000     31.390000     13.430000
      4.000000      1.683000      0.300300      0.113700
 
 0.0002200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.1122600  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2862500  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4340600  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3088000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.4729900  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.1237500  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   3909.000000    924.000000    291.800000    107.500000     43.620000
     18.730000      7.841000      3.391000      1.405000      0.344100
      0.106800
 
 0.0013300  0.0000000  0.0000000  0.0000000
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 0.0598100  0.0000000  0.0000000  0.0000000
 0.2051100  0.0000000  0.0000000  0.0000000
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 0.4214100  0.0000000  0.0000000  0.0000000
 0.0000000  0.2190100  0.0000000  0.0000000
 0.0000000  0.4295500  0.0000000  0.0000000
 0.0000000  0.2640000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     81.590000     23.260000      8.148000      2.954000      0.982700
 
 0.0255800
 0.1449200
 0.3604400
 0.4625500
 0.2681300
 

SE:BINNING/CURTISS-SV                                                       
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    4    1
   14   11    5
 
 560600.000000  84010.000000  19030.000000   5419.000000   1792.000000
    659.500000    262.000000    108.600000     33.660000     14.450000
      4.378000      1.876000      0.359200      0.136700
 
 0.0002200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0088300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0350800  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1126600  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2847100  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4334800  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3114000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.4682300  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0926100  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   4114.000000    980.400000    310.700000    114.200000     46.260000
     19.870000      8.309000      3.598000      1.522000      0.403200
      0.123100
 
 0.0011700  0.0000000  0.0000000  0.0000000
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 0.3250400  0.0000000  0.0000000  0.0000000
 0.3608900  0.0000000  0.0000000  0.0000000
 0.0000000  0.2148800  0.0000000  0.0000000
 0.0000000  0.3962900  0.0000000  0.0000000
 0.0000000  0.2250800  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     94.030000     26.790000      9.336000      3.383000      1.145000
 
 0.0206300
 0.1222700
 0.3197200
 0.4173800
 0.2318400
 

BR:BINNING/CURTISS-SV                                                       
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    4    1
   14   11    5
 
 574300.000000  89070.000000  20210.000000   5736.000000   1899.000000
    698.700000    277.800000    115.200000     35.970000     15.500000
      4.771000      2.077000      0.421100      0.161000
 
 0.0002200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0355970  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1135200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2797300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4493800  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3002300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.4572600  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.2297800  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   4406.000000   1042.000000    332.100000    121.900000     49.240000
     21.160000      8.836000      3.829000      1.643000      0.465000
      0.142700
 
 0.0013770  0.0000000  0.0000000  0.0000000
 0.0122070  0.0000000  0.0000000  0.0000000
 0.0601900  0.0000000  0.0000000  0.0000000
 0.2237000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.2724500  0.0000000  0.0000000
 0.0000000  0.4946900  0.0000000  0.0000000
 0.0000000  0.2568400  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
    108.400000     30.710000     10.660000      3.851000      1.317000
 
 0.0215210
 0.1337600
 0.3667300
 0.4903700
 0.2674900
 

KR:BINNING/CURTISS-SV                                                       
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    4    1
   14   11    5
 
 605700.000000  90300.000000  20920.000000   5889.000000   1950.000000
    718.200000    285.400000    118.600000     38.160000     16.450000
      5.211000      2.291000      0.483700      0.185500
 
 0.0002300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0369010  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.2861700  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4540800  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2850100  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.4646500  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.2444800  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   4678.000000   1120.000000    357.100000    131.400000     52.860000
     22.700000      9.547000      4.167000      1.811000      0.533700
      0.165400
 
 0.0013440  0.0000000  0.0000000  0.0000000
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 0.0582770  0.0000000  0.0000000  0.0000000
 0.2185400  0.0000000  0.0000000  0.0000000
 0.3975700  0.0000000  0.0000000  0.0000000
 0.4411900  0.0000000  0.0000000  0.0000000
 0.0000000  0.2688700  0.0000000  0.0000000
 0.0000000  0.4938100  0.0000000  0.0000000
 0.0000000  0.2506900  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
    125.600000     35.310000     12.150000      4.350000      1.494000
 
 0.0156950
 0.1030100
 0.2996800
 0.4117100
 0.2154800
 
!
!  REFERENCE
!R. C. BINNING AND L. A. CURTISS, J. COMP. CHEM. 11, 1206 (1990).
!T. H. DUNNING, JR. J. CHEM. PHYS. 66, 1382 (1977).

GA:BINNING/CURTISS-VTZ                                                       
EMSL BASIS SET LIBRARY

  4
    0    0    1    2
    6    3    6    2
   11    3   11    5
 
 457600.000000  68470.000000  15590.000000   4450.000000   1472.000000
    541.300000    214.800000     88.810000     27.180000     11.540000
      3.303000     
 
 0.0002210  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0017220  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0088660  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
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 0.1144600  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2816300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
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 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  

      1.334000      0.194700      0.071580

 1.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  1.0000000

   3274.000000    765.400000    241.600000     89.390000     36.360000
     15.600000      6.472000      2.748000      1.090000      0.220200
      0.061300
 
 0.0014740  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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     59.660000     17.100000      6.030000      2.171000      0.684400
 
 0.0319600  0.0000000
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 0.3672000  0.0000000
 0.4570400  0.0000000
 0.0000000  1.0000000
 

GE:BINNING/CURTISS-VTZ                                                       
EMSL BASIS SET LIBRARY

  4
    0    0    1    2
    6    3    6    2
   11    3   11    5
 
 489000.000000  73100.000000  16640.000000   4742.000000   1569.000000
    577.000000    229.000000     94.810000     29.220000     12.450000
      3.642000      
 
 0.0002220  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  
 
      1.502000      0.246200      0.092090

 1.0000000  0.0000000  0.0000000
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   3596.000000    843.700000    266.200000     98.280000     39.930000
     17.140000      7.157000      3.068000      1.246000      0.279500
      0.083400
 
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     70.180000     20.070000      7.059000      2.553000      0.830100
 
 0.0287700  0.0000000
 0.1552500  0.0000000
 0.3681400  0.0000000
 0.4657800  0.0000000
 0.0000000  1.0000000
 

AS:BINNING/CURTISS-VTZ                                                       
EMSL BASIS SET LIBRARY

  4
    0    0    1    2
    6    3    6    2
   11    3   11    5
 
 526200.000000  78310.000000  17800.000000   5070.000000   1677.000000
    617.000000    245.000000    101.500000     31.390000     13.430000
      4.000000     
 
 0.0002200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
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 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  

      1.683000      0.300300      0.113700
  
 1.0000000  0.0000000  0.0000000 
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   3909.000000    924.000000    291.800000    107.500000     43.620000
     18.730000      7.841000      3.391000      1.405000      0.344100
      0.106800
 
 0.0013300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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     81.590000     23.260000      8.148000      2.954000      0.982700
 
 0.0255800  0.0000000
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 0.3604400  0.0000000
 0.4625500  0.0000000
 0.0000000  1.0000000
 

SE:BINNING/CURTISS-VTZ                                                       
EMSL BASIS SET LIBRARY

  4
    0    0    1    2
    6    3    6    2
   11    3   11    5

 560600.000000  84010.000000  19030.000000   5419.000000   1792.000000
    659.500000    262.000000    108.600000     33.660000     14.450000
      4.378000      
 
 0.0002200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
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      1.876000      0.359200      0.136700

 1.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  1.0000000  

   4114.000000    980.400000    310.700000    114.200000     46.260000
     19.870000      8.309000      3.598000      1.522000      0.403200
      0.123100
 
 0.0011700  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.3250400  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3608900  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
     94.030000     26.790000      9.336000      3.383000      1.145000
 
 0.0206300  0.0000000
 0.1222700  0.0000000
 0.3197200  0.0000000
 0.4173800  0.0000000
 0.0000000  0.2318400
 

BR:BINNING/CURTISS-VTZ                                                       
EMSL BASIS SET LIBRARY

  4
    0    0    1    2
    6    3    6    2
   11    3   11    5

 574300.000000  89070.000000  20210.000000   5736.000000   1899.000000
    698.700000    277.800000    115.200000     35.970000     15.500000
      4.771000      
 
 0.0002200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0016870  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0087460  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0355970  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1135200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2797300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  
 
      2.077000      0.421100      0.161000

 1.0000000  0.0000000  0.0000000  
 0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  1.0000000  

   4406.000000   1042.000000    332.100000    121.900000     49.240000
     21.160000      8.836000      3.829000      1.643000      0.465000
      0.142700
 
 0.0013770  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0122070  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0601900  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2237000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4004700  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4445800  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
    108.400000     30.710000     10.660000      3.851000      1.317000
 
 0.0215210  0.0000000
 0.1337600  0.0000000
 0.3667300  0.0000000
 0.4903700  0.0000000
 0.0000000  1.0000000
 

KR:BINNING/CURTISS-VTZ                                                       
EMSL BASIS SET LIBRARY

  4
    0    0    1    2
    6    3    6    2
   11    3   11    5
 
 605700.000000  90300.000000  20920.000000   5889.000000   1950.000000
    718.200000    285.400000    118.600000     38.160000     16.450000
      5.211000      
 
 0.0002300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0017430  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0090460  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0369010  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1174300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2861700  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  
 
      2.291000      0.483700      0.185500

 1.0000000  0.0000000  0.0000000  
 0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  1.0000000  

   4678.000000   1120.000000    357.100000    131.400000     52.860000
     22.700000      9.547000      4.167000      1.811000      0.533700
      0.165400
 
 0.0013440  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0118210  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0582770  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2185400  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3975700  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4411900  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
    125.600000     35.310000     12.150000      4.350000      1.494000
 
 0.0156950  0.0000000
 0.1030100  0.0000000
 0.2996800  0.0000000
 0.4117100  0.0000000
 0.0000000  1.0000000
 
!
!  REFERENCE
!R. C. BINNING AND L. A. CURTISS, J. COMP. CHEM. 11, 1206 (1990).
!T. H. DUNNING, JR. J. CHEM. PHYS. 66, 1382 (1977).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!R. C. BINNING AND L. A. CURTISS, J. COMP. CHEM. 11, 1206 (1990).

GA:BINNING/CURTISS-SVP                                                       
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    4    2
   14   11    6
 
 457600.000000  68470.000000  15590.000000   4450.000000   1472.000000
    541.300000    214.800000     88.810000     27.180000     11.540000
      3.303000      1.334000      0.194700      0.071580
 
 0.0002210  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0017220  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0088660  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0359190  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1144600  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2816300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4481000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2955200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.4802500  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.1478000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   3274.000000    765.400000    241.600000     89.390000     36.360000
     15.600000      6.472000      2.748000      1.090000      0.220200
      0.061300
 
 0.0014740  0.0000000  0.0000000  0.0000000
 0.0132700  0.0000000  0.0000000  0.0000000
 0.0653840  0.0000000  0.0000000  0.0000000
 0.2296100  0.0000000  0.0000000  0.0000000
 0.3992900  0.0000000  0.0000000  0.0000000
 0.4359300  0.0000000  0.0000000  0.0000000
 0.0000000  0.2610500  0.0000000  0.0000000
 0.0000000  0.4834700  0.0000000  0.0000000
 0.0000000  0.2872100  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     59.660000     17.100000      6.030000      2.171000      0.684400
      0.141000
 
 0.0319600  0.0000000
 0.1635800  0.0000000
 0.3672000  0.0000000
 0.4570400  0.0000000
 0.3047700  0.0000000
 0.0000000  1.0000000
 

GE:BINNING/CURTISS-SVP                                                       
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    4    2
   14   11    6
 
 489000.000000  73100.000000  16640.000000   4742.000000   1569.000000
    577.000000    229.000000     94.810000     29.220000     12.450000
      3.642000      1.502000      0.246200      0.092090
 
 0.0002220  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0017280  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0089500  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0359050  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1128400  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2874800  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4344900  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3068300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.4775900  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.1144500  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   3596.000000    843.700000    266.200000     98.280000     39.930000
     17.140000      7.157000      3.068000      1.246000      0.279500
      0.083400
 
 0.0014420  0.0000000  0.0000000  0.0000000
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 0.0000000  0.2889600  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     70.180000     20.070000      7.059000      2.553000      0.830100
      0.202000
 
 0.0287700  0.0000000
 0.1552500  0.0000000
 0.3681400  0.0000000
 0.4657800  0.0000000
 0.2864800  0.0000000
 0.0000000  1.0000000
 

AS:BINNING/CURTISS-SVP                                                       
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    4    2
   14   11    6
 
 526200.000000  78310.000000  17800.000000   5070.000000   1677.000000
    617.000000    245.000000    101.500000     31.390000     13.430000
      4.000000      1.683000      0.300300      0.113700
 
 0.0002200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0353500  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1122600  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2862500  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4340600  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3088000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.4729900  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   3909.000000    924.000000    291.800000    107.500000     43.620000
     18.730000      7.841000      3.391000      1.405000      0.344100
      0.106800
 
 0.0013300  0.0000000  0.0000000  0.0000000
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 0.4214100  0.0000000  0.0000000  0.0000000
 0.0000000  0.2190100  0.0000000  0.0000000
 0.0000000  0.4295500  0.0000000  0.0000000
 0.0000000  0.2640000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     81.590000     23.260000      8.148000      2.954000      0.982700
      0.273000
 
 0.0255800  0.0000000
 0.1449200  0.0000000
 0.3604400  0.0000000
 0.4625500  0.0000000
 0.2681300  0.0000000
 0.0000000  1.0000000
 

SE:BINNING/CURTISS-SVP                                                       
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    4    2
   14   11    6
 
 560600.000000  84010.000000  19030.000000   5419.000000   1792.000000
    659.500000    262.000000    108.600000     33.660000     14.450000
      4.378000      1.876000      0.359200      0.136700
 
 0.0002200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0088300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0350800  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1126600  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2847100  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4334800  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3114000  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.4682300  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.0926100  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   4114.000000    980.400000    310.700000    114.200000     46.260000
     19.870000      8.309000      3.598000      1.522000      0.403200
      0.123100
 
 0.0011700  0.0000000  0.0000000  0.0000000
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 0.0000000  0.3962900  0.0000000  0.0000000
 0.0000000  0.2250800  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     94.030000     26.790000      9.336000      3.383000      1.145000
      0.315000
 
 0.0206300  0.0000000
 0.1222700  0.0000000
 0.3197200  0.0000000
 0.4173800  0.0000000
 0.2318400  0.0000000
 0.0000000  1.0000000
 

BR:BINNING/CURTISS-SVP                                                       
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    4    2
   14   11    6
 
 574300.000000  89070.000000  20210.000000   5736.000000   1899.000000
    698.700000    277.800000    115.200000     35.970000     15.500000
      4.771000      2.077000      0.421100      0.161000
 
 0.0002200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0016870  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0087460  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0355970  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1135200  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2797300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4493800  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.3002300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.4572600  0.0000000  0.0000000  0.0000000  0.0000000
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 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   4406.000000   1042.000000    332.100000    121.900000     49.240000
     21.160000      8.836000      3.829000      1.643000      0.465000
      0.142700
 
 0.0013770  0.0000000  0.0000000  0.0000000
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 0.0601900  0.0000000  0.0000000  0.0000000
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 0.4004700  0.0000000  0.0000000  0.0000000
 0.4445800  0.0000000  0.0000000  0.0000000
 0.0000000  0.2724500  0.0000000  0.0000000
 0.0000000  0.4946900  0.0000000  0.0000000
 0.0000000  0.2568400  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
    108.400000     30.710000     10.660000      3.851000      1.317000
      0.338000
 
 0.0215210  0.0000000
 0.1337600  0.0000000
 0.3667300  0.0000000
 0.4903700  0.0000000
 0.2674900  0.0000000
 0.0000000  1.0000000
 

KR:BINNING/CURTISS-SVP                                                       
EMSL BASIS SET LIBRARY

  3
    0    1    2
    6    4    2
   14   11    6
 
 605700.000000  90300.000000  20920.000000   5889.000000   1950.000000
    718.200000    285.400000    118.600000     38.160000     16.450000
      5.211000      2.291000      0.483700      0.185500
 
 0.0002300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0017430  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0090460  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0369010  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.1174300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2861700  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.4540800  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.2850100  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.4646500  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  1.2444800  0.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000
 
   4678.000000   1120.000000    357.100000    131.400000     52.860000
     22.700000      9.547000      4.167000      1.811000      0.533700
      0.165400
 
 0.0013440  0.0000000  0.0000000  0.0000000
 0.0118210  0.0000000  0.0000000  0.0000000
 0.0582770  0.0000000  0.0000000  0.0000000
 0.2185400  0.0000000  0.0000000  0.0000000
 0.3975700  0.0000000  0.0000000  0.0000000
 0.4411900  0.0000000  0.0000000  0.0000000
 0.0000000  0.2688700  0.0000000  0.0000000
 0.0000000  0.4938100  0.0000000  0.0000000
 0.0000000  0.2506900  0.0000000  0.0000000
 0.0000000  0.0000000  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
    125.600000     35.310000     12.150000      4.350000      1.494000
      0.318000
 
 0.0156950  0.0000000
 0.1030100  0.0000000
 0.2996800  0.0000000
 0.4117100  0.0000000
 0.2154800  0.0000000
 0.0000000  1.0000000
 
!
!  REFERENCE
!R. C. BINNING AND L. A. CURTISS-VTZP, J. COMP. CHEM. 11, 1206 (1990).
!T. H. DUNNING, JR. J. CHEM. PHYS. 66, 1382 (1977).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!R. C. BINNING AND L. A. CURTISS-VTZP, J. COMP. CHEM. 11, 1206 (1990).
!T. H. DUNNING, JR. J. CHEM. PHYS. 66, 1382 (1977).

GA:BINNING/CURTISS-VTZP                                                       
EMSL BASIS SET LIBRARY

  5
    0    0    1    2    3
    6    3    6    3    1
   11    3   11    6    1
 
 457600.000000  68470.000000  15590.000000   4450.000000   1472.000000
    541.300000    214.800000     88.810000     27.180000     11.540000
      3.303000      
 
 0.0002210  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0017220  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0088660  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0359190  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.1144600  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.2816300  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  0.0000000  
 0.0000000  0.0000000  0.0000000  0.0000000  0.0000000  1.0000000  
 
      1.334000      0.194700      0.071580

 1.0000000  0.0000000  0.0000000 
 0.0000000  1.0000000  0.0000000 
 0.0000000  0.0000000  1.0000000 

   3274.000000    765.400000    241.600000     89.390000     36.360000
     15.600000      6.472000      2.748000      1.090000      0.220200
      0.061300
 
 0.0014740  0.0000000  0.0000000  0.0000000  0.0000000  0.0000000
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      0.167000
 
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GE:BINNING/CURTISS-VTZP                                                       
EMSL BASIS SET LIBRARY

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AS:BINNING/CURTISS-VTZP                                                       
EMSL BASIS SET LIBRARY

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 1.0000000
 

SE:BINNING/CURTISS-VTZP                                                       
EMSL BASIS SET LIBRARY

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      0.400000
 
 1.0000000
 

BR:BINNING/CURTISS-VTZP                                                       
EMSL BASIS SET LIBRARY

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     21.160000      8.836000      3.829000      1.643000      0.465000
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    108.400000     30.710000     10.660000      3.851000      1.317000
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      0.401000
 
 1.0000000
 

KR:BINNING/CURTISS-VTZP                                                       
EMSL BASIS SET LIBRARY

  5
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 605700.000000  90300.000000  20920.000000   5889.000000   1950.000000
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      5.211000     
 
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   4678.000000   1120.000000    357.100000    131.400000     52.860000
     22.700000      9.547000      4.167000      1.811000      0.533700
      0.165400
 
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    125.600000     35.310000     12.150000      4.350000      1.494000
      0.318000
 
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      0.401000
 
 1.0000000
 


!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He    : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).      
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Na - Mg: D.E. Woon and T.H. Dunning, Jr.  (to be published)                    
!Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989) and D. E. Woon and   
!         T.H. Dunning, Jr. J. Chem. Phys. 103, 4572 (1995).

H:CC-PCVDZ                                                              
EMSL BASIS SET LIBRARY

  2
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 0.0196850  0.0000000
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 0.5012400  1.0000000
 
      0.727000
 
 1.0000000
 

HE:CC-PCVDZ                                                              
EMSL BASIS SET LIBRARY

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      1.275000
 
 1.0000000
 

B:CC-PCVDZ                                                              
EMSL BASIS SET LIBRARY

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C:CC-PCVDZ                                                              
EMSL BASIS SET LIBRARY

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 1.0000000
 

N:CC-PCVDZ                                                              
EMSL BASIS SET LIBRARY

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      0.817000
 
 1.0000000
 

O:CC-PCVDZ                                                              
EMSL BASIS SET LIBRARY

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F:CC-PCVDZ                                                              
EMSL BASIS SET LIBRARY

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 1.0000000
 

NE:CC-PCVDZ                                                              
EMSL BASIS SET LIBRARY

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-0.0021000  0.5652160  1.0000000  0.0000000
 0.0000000  0.0000000  0.0000000  1.0000000
 
     28.390000      6.270000      1.695000      0.431700     40.184000
 
 0.0460870  0.0000000  0.0000000
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 0.4556600  1.0000000  0.0000000
 0.0000000  0.0000000  1.0000000
 
      2.202000
 
 1.0000000
 
!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He    : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).      
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Na - Mg: D.E. Woon and T.H. Dunning, Jr.  (to be published)                    
!Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989) and D. E. Woon and   
!         T.H. Dunning, Jr. J. Chem. Phys. 103, 4572 (1995).

H:CC-PCVTZ                                                              
EMSL BASIS SET LIBRARY

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HE:CC-PCVTZ                                                              
EMSL BASIS SET LIBRARY

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    234.000000     35.160000      7.989000      2.212000      0.666900
      0.208900
 
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 1.0000000
 

B:CC-PCVTZ                                                              
EMSL BASIS SET LIBRARY

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   5473.000000    820.900000    186.800000     52.830000     17.080000
      5.999000      2.208000      0.587900      0.241500      0.086100
      2.940000      8.311000
 
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     12.050000      2.613000      0.747500      0.238500      0.076980
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      0.490000
 
 1.0000000
 

C:CC-PCVTZ                                                              
EMSL BASIS SET LIBRARY

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      8.997000      3.319000      0.905900      0.364300      0.128500
      4.292000     11.876000
 
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      8.778000     33.190000
 
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      0.761000
 
 1.0000000
 

N:CC-PCVTZ                                                              
EMSL BASIS SET LIBRARY

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     12.540000      4.644000      1.293000      0.511800      0.178700
      5.952000     16.201000
 
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     26.630000      5.948000      1.742000      0.555000      0.172500
     11.871000     44.849000
 
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      1.654000      0.469000     14.200000
 
 1.0000000  0.0000000  0.0000000
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      1.093000
 
 1.0000000
 

O:CC-PCVTZ                                                              
EMSL BASIS SET LIBRARY

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     16.760000      6.207000      1.752000      0.688200      0.238400
      7.845000     21.032000
 
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 0.0023810  0.3787650  0.0000000  1.0000000  0.0000000  0.0000000
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     34.460000      7.749000      2.280000      0.715600      0.214000
     15.159000     57.437000
 
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      2.314000      0.645000     15.858000
 
 1.0000000  0.0000000  0.0000000
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      1.428000
 
 1.0000000
 

F:CC-PCVTZ                                                              
EMSL BASIS SET LIBRARY

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     21.420000      7.950000      2.257000      0.881500      0.304100
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     43.880000      9.926000      2.930000      0.913200      0.267200
     18.756000     71.348000
 
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      3.107000      0.855000     19.108000
 
 1.0000000  0.0000000  0.0000000
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      1.917000
 
 1.0000000
 

NE:CC-PCVTZ                                                              
EMSL BASIS SET LIBRARY

  4
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  24350.000000   3650.000000    829.600000    234.000000     75.610000
     26.730000      9.927000      2.836000      1.102000      0.378200
     12.083000     31.947000
 
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     54.700000     12.430000      3.679000      1.143000      0.330000
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 1.0000000  0.0000000  0.0000000
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      2.544000
 
 1.0000000
 
!
!  REFERENCE
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
! He    : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).      
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Na - Mg: D.E. Woon and T.H. Dunning, Jr.  (to be published)                    
!Al - Ar: D.E. Woon and T.H. Dunning, Jr.  J. Chem. Phys. 98, 1358 (1993).
!
!  POLARIZATION AND/OR DIFFUSE FUNCTIONS
!Elements                             References                                
!--------                             ----------                                
! H     : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).                     
!Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989) and D. E. Woon and   
!         T.H. Dunning, Jr. J. Chem. Phys. 103, 4572 (1995).

H:CC-PCVQZ                                                              
EMSL BASIS SET LIBRARY

  4
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      2.062000      0.662000
 
 1.0000000  0.0000000
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      1.397000
 
 1.0000000
 

HE:CC-PCVQZ                                                              
EMSL BASIS SET LIBRARY

  4
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      5.994000      1.745000      0.560000
 
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 1.0000000  0.0000000
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      2.680000
 
 1.0000000
 

B:CC-PCVQZ                                                              
EMSL BASIS SET LIBRARY

  7
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      0.189600      0.073940      4.864000     
 
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 0.0514350 -0.0105810  0.0000000  0.0000000  0.0000000  0.0000000  
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 0.2253400 -0.1230720  0.0000000  0.0000000  0.0000000  0.0000000  
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     13.288000     36.304000

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     22.260000      5.058000      1.487000      0.507100      0.181200
      0.064630      5.489000     16.302000    
 
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      0.673000
 
 1.0000000
 

C:CC-PCVQZ                                                              
EMSL BASIS SET LIBRARY

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   13    2    8    1    5    3    1

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 0.3056310 -0.0771730  0.0000000  0.0000000  0.0000000  0.0000000  
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     71.494000

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N:CC-PCVQZ                                                              
EMSL BASIS SET LIBRARY

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O:CC-PCVQZ                                                              
EMSL BASIS SET LIBRARY

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F:CC-PCVQZ                                                              
EMSL BASIS SET LIBRARY

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