nwchem-data 6.3+r1-1build1 / usr / share / nwchem / libraries / cc-pvqzseg-opt

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#  cc-pVQZ(seg-opt)  EMSL  Basis Set Exchange Library  3/15/13 10:18 AM
# 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).
#   


basis "H_cc-pVQZ(seg-opt)" SPHERICAL
H    S
     82.6400000              0.0020060        
     12.4100000              0.0153430        
      2.8240000              0.0755790        
H    S
      0.7977000              1.0000000        
H    S
      0.2581000              1.0000000        
H    S
      0.0898900              1.0000000        
H    P
      2.2920000              1.0000000        
H    P
      0.8380000              1.0000000        
H    P
      0.2920000              1.0000000        
H    D
      2.0620000              1.0000000        
H    D
      0.6620000              1.0000000        
H    F
      1.3970000              1.0000000        
end
basis "He_cc-pVQZ(seg-opt)" SPHERICAL
He    S
    528.5000000              0.0009400        
     79.3100000              0.0072140        
     18.0500000              0.0359750        
      5.0850000              0.1277820        
He    S
      1.6090000              1.0000000        
He    S
      0.5363000              1.0000000        
He    S
      0.1833000              1.0000000        
He    P
      5.9940000              1.0000000        
He    P
      1.7450000              1.0000000        
He    P
      0.5600000              1.0000000        
He    D
      4.2990000              1.0000000        
He    D
      1.2230000              1.0000000        
He    F
      2.6800000              1.0000000        
end
basis "C_cc-pVQZ(seg-opt)" SPHERICAL
C    S
  33980.0000000              0.00009204       
   5089.0000000              0.00069991       
   1157.0000000              0.00369300       
    326.6000000              0.01518181       
    106.1000000              0.05214035       
     38.1100000              0.13827451       
     14.7500000              0.26877203       
      6.0350000              0.22841839       
C    S
  33980.0000000              0.00000034       
   5089.0000000             -0.00000135       
    326.6000000             -0.00005901       
    106.1000000             -0.00026118       
     38.1100000             -0.00290391       
     14.7500000             -0.01220675       
      6.0350000             -0.05660649       
      2.5300000             -0.07188168       
C    S
      0.7355000              1.0000000        
C    S
      0.2905000              1.0000000        
C    S
      0.1111000              1.0000000        
C    P
     34.5100000              0.0053780        
      7.9150000              0.0361320        
      2.3680000              0.1424930        
C    P
      0.8132000              1.0000000        
C    P
      0.2890000              1.0000000        
C    P
      0.1007000              1.0000000        
C    D
      1.8480000              1.0000000        
C    D
      0.6490000              1.0000000        
C    D
      0.2280000              1.0000000        
C    F
      1.4190000              1.0000000        
C    F
      0.4850000              1.0000000        
C    G
      1.0110000              1.0000000        
end
basis "O_cc-pVQZ(seg-opt)" SPHERICAL
O    S
  61420.0000000              0.00009156       
   9199.0000000              0.00069733       
   2091.0000000              0.00367901       
    590.9000000              0.01506706       
    192.3000000              0.05166742       
     69.3200000              0.13584352       
     26.9700000              0.26070442       
     11.1000000              0.19645692       
O    S
  61420.0000000              0.00000061       
   9199.0000000             -0.00000180       
    590.9000000             -0.00010861       
    192.3000000             -0.00049411       
     69.3200000             -0.00543605       
     26.9700000             -0.02332430       
     11.1000000             -0.10371938       
      4.6820000             -0.11094276       
O    S
      1.4280000              1.0000000        
O    S
      0.5547000              1.0000000        
O    S
      0.2067000              1.0000000        
O    P
     63.4200000              0.0060440        
     14.6600000              0.0417990        
      4.4590000              0.1611430        
O    P
      1.5310000              1.0000000        
O    P
      0.5302000              1.0000000        
O    P
      0.1750000              1.0000000        
O    D
      3.7750000              1.0000000        
O    D
      1.3000000              1.0000000        
O    D
      0.4440000              1.0000000        
O    F
      2.6660000              1.0000000        
O    F
      0.8590000              1.0000000        
O    G
      1.8460000              1.0000000        
end

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