!---------------------------------------------------------------------- ! Basis Set Exchange ! Version 0.11 ! https://www.basissetexchange.org !---------------------------------------------------------------------- ! Basis set: cc-pVDZ ! Description: cc-pVDZ ! Role: orbital ! Version: 1 (Data from ccRepo/Grant Hill) !---------------------------------------------------------------------- spherical basis={ ! ! copper (20s,16p,8d,2f) -> [6s,5p,3d,1f] s, CU , 5.430321E+06, 8.131665E+05, 1.850544E+05, 5.241466E+04, 1.709868E+04, 6.171994E+03, 2.406481E+03, 9.972584E+02, 4.339289E+02, 1.962869E+02, 9.104280E+01, 4.138425E+01, 1.993278E+01, 9.581891E+00, 4.234516E+00, 1.985814E+00, 8.670830E-01, 1.813390E-01, 8.365700E-02, 3.626700E-02 c, 1.20, 7.801026E-06, 6.065666E-05, 3.188964E-04, 1.344687E-03, 4.869050E-03, 1.561013E-02, 4.452077E-02, 1.103111E-01, 2.220342E-01, 3.133739E-01, 2.315121E-01, 7.640920E-02, 1.103818E-01, 1.094372E-01, 1.836311E-02, -6.043084E-04, 5.092245E-05, -5.540730E-05, 3.969482E-05, -1.269538E-05 c, 1.20, -4.404706E-06, -3.424801E-05, -1.801238E-04, -7.600455E-04, -2.759348E-03, -8.900970E-03, -2.579378E-02, -6.623861E-02, -1.445927E-01, -2.440110E-01, -2.504837E-01, 2.852577E-02, 5.115874E-01, 4.928061E-01, 8.788437E-02, -5.820281E-03, 2.013508E-04, -5.182553E-04, 3.731503E-04, -1.193171E-04 c, 1.20, 9.704682E-07, 7.549245E-06, 3.968892E-05, 1.677200E-04, 6.095101E-04, 1.978846E-03, 5.798049E-03, 1.534158E-02, 3.540484E-02, 6.702098E-02, 8.026945E-02, -1.927231E-02, -3.160129E-01, -4.573162E-01, 1.550841E-01, 7.202872E-01, 3.885122E-01, 1.924326E-02, -7.103807E-03, 3.272906E-03 c, 1.20, -1.959354E-07, -1.523472E-06, -8.014808E-06, -3.383992E-05, -1.231191E-04, -3.992085E-04, -1.171900E-03, -3.096141E-03, -7.171993E-03, -1.356621E-02, -1.643989E-02, 4.107628E-03, 6.693964E-02, 1.028221E-01, -4.422945E-02, -2.031191E-01, -2.230022E-01, 2.517975E-01, 5.650091E-01, 3.247243E-01 c, 1.20, -3.532229E-07, -2.798812E-06, -1.432517E-05, -6.270946E-05, -2.179490E-04, -7.474316E-04, -2.049271E-03, -5.885203E-03, -1.226885E-02, -2.683147E-02, -2.479261E-02, -5.984746E-03, 1.557124E-01, 1.436683E-01, 8.374103E-03, -7.460711E-01, 1.244367E-01, 1.510110E+00, -3.477122E-01, -9.774169E-01 c, 20.20, 1.000000E+00 p, CU , 2.276057E+04, 5.387679E+03, 1.749945E+03, 6.696653E+02, 2.841948E+02, 1.296077E+02, 6.225415E+01, 3.092964E+01, 1.575827E+01, 8.094211E+00, 4.046921E+00, 1.967869E+00, 9.252950E-01, 3.529920E-01, 1.273070E-01, 4.435600E-02 c, 1.16, 4.000000E-05, 3.610000E-04, 2.083000E-03, 9.197000E-03, 3.266000E-02, 9.379500E-02, 2.082740E-01, 3.339930E-01, 3.324930E-01, 1.547280E-01, 2.127100E-02, -1.690000E-03, -1.516000E-03, -2.420000E-04, 2.300000E-05, -9.000000E-06 c, 1.16, -1.500000E-05, -1.310000E-04, -7.550000E-04, -3.359000E-03, -1.208100E-02, -3.570300E-02, -8.250200E-02, -1.398900E-01, -1.407290E-01, 3.876600E-02, 3.426950E-01, 4.523100E-01, 2.770540E-01, 4.388500E-02, -2.802000E-03, 1.152000E-03 c, 1.16, 5.000000E-06, 4.900000E-05, 2.780000E-04, 1.253000E-03, 4.447000E-03, 1.337000E-02, 3.046900E-02, 5.344700E-02, 5.263900E-02, -1.688100E-02, -1.794480E-01, -2.095880E-01, -3.963300E-02, 5.021300E-01, 5.811110E-01, 4.566600E-02 c, 1.16, 3.000000E-06, 2.500000E-05, 1.470000E-04, 6.560000E-04, 2.351000E-03, 7.004000E-03, 1.613100E-02, 2.777000E-02, 2.756700E-02, -1.011500E-02, -8.100900E-02, -1.104090E-01, -7.173200E-02, 1.879300E-01, 5.646290E-01, 4.070000E-01 c, 16.16, 1.000000E+00 d, CU , 1.738970E+02, 5.188690E+01, 1.934190E+01, 7.975720E+00, 3.398230E+00, 1.409320E+00, 5.488580E-01, 1.901990E-01 c, 1.8, 2.700000E-03, 2.090900E-02, 8.440800E-02, 2.139990E-01, 3.359800E-01, 3.573010E-01, 2.645780E-01, 1.039720E-01 c, 1.8, -3.363000E-03, -2.607900E-02, -1.082310E-01, -2.822170E-01, -3.471900E-01, 2.671100E-02, 4.920470E-01, 4.384220E-01 c, 8.8, 1.000000E+00 f, CU , 5.028600E+00, 1.259400E+00 c, 1.2, 4.242800E-01, 7.630250E-01 }