6-311G basis set for transition metals

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Gets Around
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As it happens I have recently worked on code for basis set conversion to NWChem from Gaussian 94 style basis data as used by Psi4: https://github.com/mattbernst/ebsel

Here's the converted output for NWChem/copper using your data above as input:

#BASIS SET reformatted: [9s,5p,3d,1f]
#origin: manually supplied data
basis "Cu_6-311G" spherical
Cu     S
  337200.0000000               0.0005987
   50072.9000000               0.0046399
   11373.4000000               0.0239904
    3239.8200000               0.0954056
    1071.9700000               0.2958388
     395.0990000               0.6682886
Cu     S
     158.3990000               1.0000000
Cu     S
      67.3591000               1.0000000
Cu     S
      22.2983000               1.0000000
Cu     S
       9.3935700               1.0000000
Cu     S
       2.5784800               1.0000000
Cu     S
       0.9640800               1.0000000
Cu     S
       0.1133030               1.0000000
Cu     S
       0.0407910               1.0000000
Cu     P
    2245.2900000               0.0031792
     532.1060000               0.0258978
     172.1950000               0.1216254
      65.3239000               0.3580115
      27.0551000               0.6107859
Cu     P
      11.7435000               1.0000000
Cu     P
       4.6938200               1.0000000
Cu     P
       1.9066700               1.0000000
Cu     P
       0.7114450               1.0000000
Cu     D
      53.6478000               0.0568358
      15.0747000               0.3080429
       5.1039200               0.7640422
Cu     D
       1.7274300               1.0000000
Cu     D
       0.5283220               1.0000000
Cu     F
       1.4400000               1.0000000


Edit: manually added basis .. spherical header.
Edited On 10:31:28 AM PDT - Tue, Jun 16th 2015 by Mernst


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