nwchem-data 6.3+r1-1build1 / usr / share / nwchem / libraries / cc-pcv6zold

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#  cc-pCV6Z(old)  EMSL  Basis Set Exchange Library  3/15/13 10:18 AM
# Elements                             References
# --------                             ----------
# H:         K.A. Peterson, D.E. Woon and T. H. Dunning, Jr., (to be published).
# B - Ne:    A. K. Wilson, T. v. Mourik and T. H. Dunning, Jr., J. Mol. Struct.
# (THEOCHEM) 388, 339 (1997).
# S:         J.G. Hill, S. Mazumder, and K.A. Peterson, Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: the atoms B-Ne and Al-Ar, Journal of Chemical Physics 132, 054108 (2010).
# 


# Elements                             References
# --------                             ----------
# B - F:  A.K. Wilson and T.H. Dunning, Jr. (to be published)
# Ne   : D. Feller (to be published)
# 



basis "O_cc-pCV6Z(old)" SPHERICAL
O    S
 570800.0000000              0.00000555            -0.00000126       
  85480.0000000              0.00004311            -0.00000977       
  19460.0000000              0.00022667            -0.00005148       
   5512.0000000              0.00095637            -0.00021696       
   1798.0000000              0.00347320            -0.00079162       
    648.9000000              0.01119778            -0.00255900       
    253.1000000              0.03238766            -0.00753313       
    104.9000000              0.08285977            -0.01978897       
     45.6500000              0.17958381            -0.04606288       
     20.6200000              0.30522110            -0.08919560       
      9.5870000              0.34089349            -0.13754216       
O    S
      4.4930000              1.0000000        
O    S
      1.8370000              1.0000000        
O    S
      0.8349000              1.0000000        
O    S
      0.3658000              1.0000000        
O    S
      0.1570000              1.0000000        
O    S
    348.4406000              1.0000000        
O    S
    175.3001000              1.0000000        
O    S
     88.1933400              1.0000000        
O    S
     44.3699900              1.0000000        
O    S
     22.3225000              1.0000000        
O    P
    525.6000000              0.00016664       
    124.6000000              0.00143336       
     40.3400000              0.00754762       
     15.1800000              0.02859456       
      6.2450000              0.08438858       
O    P
      2.7320000              1.0000000        
O    P
      1.2270000              1.0000000        
O    P
      0.5492000              1.0000000        
O    P
      0.2418000              1.0000000        
O    P
      0.1025000              1.0000000        
O    P
    363.9568000              1.0000000        
O    P
    163.0141000              1.0000000        
O    P
     73.0130900              1.0000000        
O    P
     32.7021400              1.0000000        
O    P
     14.6471000              1.0000000        
O    D
      8.2530000              1.0000000        
O    D
      3.5970000              1.0000000        
O    D
      1.5680000              1.0000000        
O    D
      0.6840000              1.0000000        
O    D
      0.2980000              1.0000000        
O    D
    253.9252000              1.0000000        
O    D
    109.6239000              1.0000000        
O    D
     47.3265600              1.0000000        
O    D
     20.4317000              1.0000000        
O    F
      5.4300000              1.0000000        
O    F
      2.4160000              1.0000000        
O    F
      1.0750000              1.0000000        
O    F
      0.4780000              1.0000000        
O    F
    138.2648000              1.0000000        
O    F
     49.0034900              1.0000000        
O    F
     17.3677000              1.0000000        
O    G
      5.2110000              1.0000000        
O    G
      2.1900000              1.0000000        
O    G
      0.9200000              1.0000000        
O    G
     82.3645100              1.0000000        
O    G
     23.6764000              1.0000000        
O    H
      3.8720000              1.0000000        
O    H
      1.5050000              1.0000000        
O    H
     62.7153200              1.0000000        
O    I
      2.7730000              1.0000000        
end

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