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/usr/share/mpqc/3.0.0-alpha/basis/cc-pwcvqz-dk.kv is in mpqc3-data 0.0~git20170114-4ubuntu1.

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The actual contents of the file can be viewed below.

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basis:(
% Correlation Consistent Basis Set for  Sc
% N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)
% Douglas-Kroll correlation consistent polarized weighted Core Valence Quadruple-zeta Basis Set for Sc
% Downloaded on 05/27/2006 from Kirk Peterson's web site:
% http://tyr0.chem.wsu.edu/~kipeters/basissets/tm3dbasis.html
 scandium: "cc-pwCVQZ-DK": [
  (type: [am = s am = s am = s am = s am = s am = s am = s am = s am = s am = s]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8 coef:9} = {
 8.417909E+06  4.500000E-05 -2.600000E-05  5.000000E-06 -1.000000E-06 -2.000000E-06 -3.000000E-06 -4.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 1.260312E+06  1.300000E-04 -7.500000E-05  1.500000E-05 -4.000000E-06 -6.000000E-06 -1.000000E-05 -1.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.867984E+05  3.520000E-04 -2.020000E-04  4.000000E-05 -1.000000E-05 -1.700000E-05 -2.600000E-05 -2.800000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 8.123469E+04  8.820000E-04 -5.070000E-04  1.000000E-04 -2.400000E-05 -4.200000E-05 -6.700000E-05 -7.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.650311E+04  2.199000E-03 -1.264000E-03  2.490000E-04 -6.000000E-05 -1.030000E-04 -1.600000E-04 -1.810000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 9.568701E+03  5.532000E-03 -3.191000E-03  6.330000E-04 -1.530000E-04 -2.720000E-04 -4.350000E-04 -4.320000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 3.732497E+03  1.408300E-02 -8.161000E-03  1.622000E-03 -3.920000E-04 -6.550000E-04 -1.005000E-03 -1.212000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.548422E+03  3.509300E-02 -2.060100E-02  4.149000E-03 -1.003000E-03 -1.821000E-03 -2.949000E-03 -2.752000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 6.755420E+02  8.143000E-02 -4.891600E-02  1.001500E-02 -2.421000E-03 -3.959000E-03 -5.972000E-03 -7.724000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.072522E+02  1.645690E-01 -1.043990E-01  2.240200E-02 -5.419000E-03 -1.010800E-02 -1.663700E-02 -1.429300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.446672E+02  2.626320E-01 -1.854760E-01  4.277100E-02 -1.036100E-02 -1.620100E-02 -2.368400E-02 -3.513500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 7.004387E+01  2.731620E-01 -2.443340E-01  6.514300E-02 -1.583200E-02 -3.189300E-02 -5.492300E-02 -3.681400E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.432250E+01  1.412160E-01 -1.538870E-01  4.507500E-02 -1.100300E-02 -1.023900E-02 -7.217000E-03 -5.596300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.561224E+01  7.046000E-02  1.868870E-01 -8.586500E-02  2.115900E-02  1.554500E-02  3.409000E-03  1.117600E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.743722E+00  1.249190E-01  5.333670E-01 -3.310660E-01  8.537500E-02  2.031530E-01  3.895120E-01  2.141660E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.844260E+00  8.816500E-02  3.687560E-01 -3.584680E-01  9.641500E-02  8.915000E-02  9.254700E-02  6.131590E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.719766E+00  1.132600E-02  4.950600E-02  2.210450E-01 -7.094100E-02  2.628400E-02 -1.644400E-02 -1.475876E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.325230E-01 -4.190000E-04 -3.972000E-03  6.853970E-01 -2.398400E-01 -9.642330E-01 -2.307839E+00 -6.976530E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.855640E-01  1.250000E-04  1.950000E-04  3.601480E-01 -2.720170E-01  2.264090E-01  2.717450E+00  2.976883E+00  0.000000E+00  0.000000E+00  0.000000E+00
 9.670000E-02 -4.300000E-05 -3.590000E-04  1.916900E-02  3.127010E-01  2.095571E+00  3.849800E-02 -5.746871E+00  0.000000E+00  0.000000E+00  0.000000E+00
 4.777800E-02  4.000000E-05  2.880000E-04 -5.864000E-03  6.137670E-01 -1.194284E+00 -2.529713E+00  6.953163E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.236300E-02 -7.000000E-06 -6.800000E-05  2.754000E-03  2.489400E-01 -6.425040E-01  1.999759E+00 -3.034417E+00  1.000000E+00  0.000000E+00  0.000000E+00
 3.167200E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.687900E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [am = p am = p am = p am = p am = p am = p am = p am = p am = p]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8} = {
 2.264097E+04  3.900000E-05 -1.300000E-05 -3.000000E-06  4.000000E-06  8.000000E-06 -9.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 5.357545E+03  1.730000E-04 -5.700000E-05 -1.400000E-05  1.700000E-05  3.300000E-05 -4.400000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.740373E+03  7.840000E-04 -2.570000E-04 -6.300000E-05  7.600000E-05  1.590000E-04 -1.670000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 6.666163E+02  3.141000E-03 -1.035000E-03 -2.520000E-04  3.070000E-04  5.920000E-04 -8.330000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 2.836384E+02  1.111500E-02 -3.679000E-03 -9.000000E-04  1.093000E-03  2.277000E-03 -2.350000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.297976E+02  3.381100E-02 -1.133600E-02 -2.761000E-03  3.372000E-03  6.462000E-03 -9.188000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 6.267956E+01  8.713000E-02 -2.984800E-02 -7.323000E-03  8.880000E-03  1.860800E-02 -1.854500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.150441E+01  1.810660E-01 -6.405400E-02 -1.565500E-02  1.912300E-02  3.600800E-02 -5.375500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.623525E+01  2.894700E-01 -1.060770E-01 -2.626600E-02  3.174600E-02  6.941800E-02 -5.965300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 8.518324E+00  3.269550E-01 -1.280140E-01 -3.156900E-02  3.876200E-02  7.076100E-02 -1.569490E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.519005E+00  2.089190E-01 -5.153800E-02 -1.208000E-02  1.464200E-02  5.758900E-02  1.293500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.366591E+00  5.418100E-02  1.753060E-01  5.278400E-02 -6.069000E-02 -1.767470E-01  8.944400E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.215235E+00  1.672000E-03  3.929150E-01  1.138130E-01 -1.356270E-01 -3.333020E-01  1.276811E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.143480E-01 -1.571000E-03  3.955600E-01  1.457620E-01 -1.751720E-01 -5.698890E-01 -1.059147E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.007450E-01 -1.016000E-03  1.755030E-01  1.320300E-02 -7.710000E-02  1.178258E+00 -1.324172E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.258340E-01 -5.900000E-05  1.902200E-02 -3.522610E-01  5.646910E-01  5.507190E-01  2.368099E+00  0.000000E+00  0.000000E+00  0.000000E+00
 5.471900E-02 -2.000000E-05  7.400000E-05 -5.500870E-01  5.410650E-01 -9.782210E-01 -1.175071E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.348800E-02  4.000000E-06  3.050000E-04 -2.263860E-01  3.560500E-02 -7.698600E-02 -1.929740E-01  1.000000E+00  0.000000E+00  0.000000E+00
 4.071900E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 9.994000E-01  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
 1.480280E+02  4.900000E-04 -5.030000E-04 -6.520000E-04  8.350000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.385280E+01  4.129000E-03 -4.244000E-03 -5.427000E-03  8.383000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.666460E+01  1.868600E-02 -1.928300E-02 -2.522500E-02  3.310200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 6.978930E+00  5.785400E-02 -6.035500E-02 -7.720000E-02  1.257230E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.123690E+00  1.370780E-01 -1.437060E-01 -1.898980E-01  2.477730E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.446870E+00  2.310160E-01 -2.301500E-01 -2.877690E-01  4.535390E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.674070E-01  2.956830E-01 -2.631470E-01 -1.763680E-01 -5.351160E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.016330E-01  3.047830E-01 -5.559900E-02  5.992450E-01 -8.932680E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.326740E-01  2.399250E-01  4.054920E-01  5.002360E-01  1.439658E+00  0.000000E+00  0.000000E+00  0.000000E+00
 5.673900E-02  1.100890E-01  4.846050E-01 -6.733890E-01 -4.547520E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.317500E-02  1.245100E-02  1.119220E-01 -2.904810E-01 -3.983930E-01  1.000000E+00  0.000000E+00  0.000000E+00
 2.128200E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 9.691000E-01  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3} = {
 2.759000E+00  1.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.049000E+00  0.000000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 3.989000E-01  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.106000E-01  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1 coef:2} = {
 2.485200E+00  1.000000E+00  0.000000E+00  0.000000E+00
 9.067000E-01  0.000000E+00  1.000000E+00  0.000000E+00
 2.530000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = h puream = 1) (am = h puream = 1)]
   {exp coef:0 coef:1} = {
 2.040500E+00  1.000000E+00  0.000000E+00
 4.934000E-01  0.000000E+00  1.000000E+00
   })
 ]
% Correlation Consistent Basis Set for  Ti
% N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)
% Douglas-Kroll correlation consistent polarized weighted Core Valence Quadruple-zeta Basis Set for Ti
% Downloaded on 05/27/2006 from Kirk Peterson's web site:
% http://tyr0.chem.wsu.edu/~kipeters/basissets/tm3dbasis.html
 titanium: "cc-pwCVQZ-DK": [
  (type: [am = s am = s am = s am = s am = s am = s am = s am = s am = s am = s]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8 coef:9} = {
 9.317034E+06  4.800000E-05 -2.700000E-05  6.000000E-06 -1.000000E-06 -2.000000E-06 -4.000000E-06 -4.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 1.394971E+06  1.370000E-04 -7.800000E-05  1.600000E-05 -4.000000E-06 -7.000000E-06 -1.100000E-05 -1.200000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.174531E+05  3.690000E-04 -2.090000E-04  4.300000E-05 -1.000000E-05 -1.900000E-05 -2.900000E-05 -3.300000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 8.992100E+04  9.180000E-04 -5.220000E-04  1.060000E-04 -2.500000E-05 -4.700000E-05 -7.400000E-05 -8.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.933816E+04  2.265000E-03 -1.290000E-03  2.630000E-04 -6.200000E-05 -1.140000E-04 -1.770000E-04 -2.080000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.059266E+04  5.637000E-03 -3.222000E-03  6.590000E-04 -1.560000E-04 -2.980000E-04 -4.720000E-04 -4.770000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.132056E+03  1.420600E-02 -8.158000E-03  1.672000E-03 -3.970000E-04 -7.100000E-04 -1.094000E-03 -1.380000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.714235E+03  3.516000E-02 -2.045900E-02  4.250000E-03 -1.008000E-03 -1.966000E-03 -3.132000E-03 -2.934000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 7.479151E+02  8.133600E-02 -4.844400E-02  1.022800E-02 -2.426000E-03 -4.239000E-03 -6.471000E-03 -8.836000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.401991E+02  1.643130E-01 -1.033990E-01  2.286300E-02 -5.431000E-03 -1.089100E-02 -1.753400E-02 -1.483500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.602060E+02  2.627320E-01 -1.841860E-01  4.371500E-02 -1.038600E-02 -1.731700E-02 -2.599500E-02 -4.123700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 7.758851E+01  2.747630E-01 -2.439660E-01  6.676000E-02 -1.594600E-02 -3.465200E-02 -5.748300E-02 -3.531300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.804489E+01  1.433810E-01 -1.550920E-01  4.662300E-02 -1.113600E-02 -1.069100E-02 -1.120000E-02 -7.456000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.735362E+01  6.992600E-02  1.879170E-01 -8.824700E-02  2.128100E-02  1.558100E-02  1.147000E-02  1.566220E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.642062E+00  1.217330E-01  5.361260E-01 -3.414970E-01  8.682000E-02  2.245120E-01  4.086420E-01  1.970970E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.304404E+00  8.540800E-02  3.679910E-01 -3.594440E-01  9.461900E-02  8.866400E-02  1.257640E-01  7.633560E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.937718E+00  1.095700E-02  4.940900E-02  2.370220E-01 -7.369700E-02  1.596900E-02 -1.612930E-01 -2.134411E+00  0.000000E+00  0.000000E+00  0.000000E+00
 9.365940E-01 -3.620000E-04 -3.825000E-03  6.874350E-01 -2.412180E-01 -1.051999E+00 -2.235015E+00  4.049510E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.326240E-01  9.500000E-05  8.700000E-05  3.500250E-01 -2.563650E-01  3.677290E-01  2.857385E+00  2.115322E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.073520E-01 -3.100000E-05 -3.080000E-04  1.790400E-02  3.168670E-01  2.002432E+00 -4.826880E-01 -5.082182E+00  0.000000E+00  0.000000E+00  0.000000E+00
 5.203400E-02  3.900000E-05  2.850000E-04 -5.438000E-03  6.062010E-01 -1.226314E+00 -1.878887E+00  6.442350E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.403800E-02 -3.000000E-06 -4.800000E-05  2.537000E-03  2.487200E-01 -5.667060E-01  1.743905E+00 -2.939856E+00  1.000000E+00  0.000000E+00  0.000000E+00
 4.051900E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.059200E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [am = p am = p am = p am = p am = p am = p am = p am = p am = p]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8} = {
 2.553733E+04  4.100000E-05 -1.400000E-05  3.000000E-06  4.000000E-06  8.000000E-06 -1.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 6.042243E+03  1.750000E-04 -5.900000E-05  1.400000E-05  1.800000E-05  3.400000E-05 -4.500000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.962653E+03  7.800000E-04 -2.620000E-04  6.300000E-05  7.900000E-05  1.610000E-04 -1.770000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 7.517338E+02  3.092000E-03 -1.041000E-03  2.490000E-04  3.140000E-04  5.930000E-04 -8.240000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 3.198833E+02  1.090900E-02 -3.691000E-03  8.880000E-04  1.113000E-03  2.283000E-03 -2.455000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.464300E+02  3.321100E-02 -1.138400E-02  2.725000E-03  3.432000E-03  6.463000E-03 -9.056000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 7.074861E+01  8.588300E-02 -3.008600E-02  7.265000E-03  9.094000E-03  1.876300E-02 -1.960300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.559088E+01  1.795240E-01 -6.500500E-02  1.561500E-02  1.966600E-02  3.644100E-02 -5.316800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.836893E+01  2.888880E-01 -1.085090E-01  2.645000E-02  3.304800E-02  7.101100E-02 -6.593100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.658655E+00  3.276960E-01 -1.312330E-01  3.176600E-02  4.020200E-02  7.109100E-02 -1.487020E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.136730E+00  2.100700E-01 -5.138000E-02  1.208000E-02  1.501200E-02  5.835000E-02 -2.246800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.698872E+00  5.492500E-02  1.797250E-01 -5.320400E-02 -6.409700E-02 -1.859340E-01  1.803870E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.389703E+00  1.824000E-03  3.962200E-01 -1.129400E-01 -1.398750E-01 -3.293680E-01  1.170471E+00  0.000000E+00  0.000000E+00  0.000000E+00
 7.031630E-01 -1.583000E-03  3.915750E-01 -1.429220E-01 -1.795270E-01 -5.446980E-01 -1.009187E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.441230E-01 -1.001000E-03  1.730820E-01 -9.627000E-03 -4.998800E-02  1.160392E+00 -1.280413E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.413750E-01 -6.000000E-05  1.881300E-02  3.540680E-01  5.710180E-01  5.310260E-01  2.283623E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.079100E-02 -1.600000E-05 -2.960000E-04  5.482170E-01  5.224460E-01 -9.673130E-01 -1.133533E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.583100E-02  3.000000E-06  3.680000E-04  2.256830E-01  3.485500E-02 -8.149500E-02 -2.007620E-01  1.000000E+00  0.000000E+00  0.000000E+00
 4.824100E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.221100E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
 1.999720E+02  3.870000E-04 -3.950000E-04 -6.270000E-04 -7.040000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 5.918690E+01  3.362000E-03 -3.433000E-03 -5.459000E-03 -7.029000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.260130E+01  1.613700E-02 -1.654600E-02 -2.667000E-02 -3.068100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.573910E+00  5.190500E-02 -5.384300E-02 -8.822500E-02 -1.179840E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.317710E+00  1.286240E-01 -1.356220E-01 -2.246980E-01 -2.736880E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.023730E+00  2.291190E-01 -2.281990E-01 -3.285440E-01 -3.822080E-01  0.000000E+00  0.000000E+00  0.000000E+00
 9.471690E-01  3.019170E-01 -2.563190E-01 -1.158350E-01  5.416700E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.338770E-01  3.096490E-01 -5.392100E-02  6.164880E-01  7.650710E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.921260E-01  2.346190E-01  3.874070E-01  4.178460E-01 -1.283436E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.140400E-02  1.048760E-01  4.995520E-01 -6.084680E-01  2.757400E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.223300E-02  1.252000E-02  1.318790E-01 -2.850030E-01  5.443000E-01  1.000000E+00  0.000000E+00  0.000000E+00
 2.782900E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.365700E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3} = {
 3.719200E+00  1.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.483800E+00  0.000000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 5.920000E-01  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.796000E-01  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1 coef:2} = {
 3.209900E+00  1.000000E+00  0.000000E+00  0.000000E+00
 1.265200E+00  0.000000E+00  1.000000E+00  0.000000E+00
 3.947000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = h puream = 1) (am = h puream = 1)]
   {exp coef:0 coef:1} = {
 2.767600E+00  1.000000E+00  0.000000E+00
 8.524000E-01  0.000000E+00  1.000000E+00
   })
 ]
% Correlation Consistent Basis Set for  V
% N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)
% Douglas-Kroll correlation consistent polarized weighted Core Valence Quadruple-zeta Basis Set for V
% Downloaded on 05/27/2006 from Kirk Peterson's web site:
% http://tyr0.chem.wsu.edu/~kipeters/basissets/tm3dbasis.html
 vanadium: "cc-pwCVQZ-DK": [
  (type: [am = s am = s am = s am = s am = s am = s am = s am = s am = s am = s]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8 coef:9} = {
 1.025178E+07  5.100000E-05 -2.800000E-05  6.000000E-06 -1.000000E-06 -3.000000E-06 -4.000000E-06 -5.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 1.534920E+06  1.450000E-04 -8.000000E-05  1.700000E-05 -4.000000E-06 -8.000000E-06 -1.200000E-05 -1.400000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.493009E+05  3.880000E-04 -2.150000E-04  4.500000E-05 -1.100000E-05 -2.000000E-05 -3.200000E-05 -3.700000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 9.894205E+04  9.590000E-04 -5.330000E-04  1.130000E-04 -2.600000E-05 -5.100000E-05 -8.100000E-05 -8.900000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.228136E+04  2.346000E-03 -1.305000E-03  2.760000E-04 -6.400000E-05 -1.220000E-04 -1.910000E-04 -2.320000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.165527E+04  5.778000E-03 -3.225000E-03  6.850000E-04 -1.590000E-04 -3.180000E-04 -5.020000E-04 -5.200000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.546548E+03  1.441800E-02 -8.089000E-03  1.722000E-03 -4.010000E-04 -7.480000E-04 -1.163000E-03 -1.518000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.886185E+03  3.544100E-02 -2.015200E-02  4.346000E-03 -1.012000E-03 -2.061000E-03 -3.271000E-03 -3.121000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 8.229417E+02  8.171500E-02 -4.758200E-02  1.042600E-02 -2.426000E-03 -4.415000E-03 -6.835000E-03 -9.688000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.743439E+02  1.649650E-01 -1.015860E-01  2.328200E-02 -5.431000E-03 -1.138100E-02 -1.818500E-02 -1.552900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.763069E+02  2.641750E-01 -1.814790E-01  4.454800E-02 -1.038400E-02 -1.800800E-02 -2.765300E-02 -4.571700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 8.540661E+01  2.776330E-01 -2.418400E-01  6.814700E-02 -1.599600E-02 -3.638800E-02 -5.933600E-02 -3.546000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.190435E+01  1.460600E-01 -1.546910E-01  4.778300E-02 -1.117600E-02 -1.091600E-02 -1.399100E-02 -8.714000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.915525E+01  6.832500E-02  1.906220E-01 -9.096400E-02  2.148500E-02  1.586600E-02  1.778100E-02  1.876050E-01  0.000000E+00  0.000000E+00  0.000000E+00
 9.571617E+00  1.153650E-01  5.397270E-01 -3.509110E-01  8.787900E-02  2.385610E-01  4.239440E-01  2.022650E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.780086E+00  8.027000E-02  3.667050E-01 -3.582080E-01  9.229200E-02  8.612700E-02  1.443250E-01  8.408220E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.161860E+00  1.020600E-02  4.893600E-02  2.523820E-01 -7.628400E-02  4.511000E-03 -2.717610E-01 -2.580707E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.042711E+00 -3.070000E-04 -3.757000E-03  6.881350E-01 -2.409190E-01 -1.093647E+00 -2.144841E+00  1.190346E+00  0.000000E+00  0.000000E+00  0.000000E+00
 4.802820E-01  6.100000E-05 -4.100000E-05  3.404340E-01 -2.425420E-01  4.530570E-01  2.906128E+00  1.473205E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.176380E-01 -2.000000E-05 -2.620000E-04  1.673200E-02  3.201900E-01  1.930909E+00 -7.881850E-01 -4.544161E+00  0.000000E+00  0.000000E+00  0.000000E+00
 5.617400E-02  3.700000E-05  2.880000E-04 -4.967000E-03  5.991660E-01 -1.232763E+00 -1.465906E+00  5.996761E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.566100E-02  1.000000E-06 -2.900000E-05  2.395000E-03  2.488470E-01 -5.215690E-01  1.567788E+00 -2.832839E+00  1.000000E+00  0.000000E+00  0.000000E+00
 4.463200E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.310700E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [am = p am = p am = p am = p am = p am = p am = p am = p am = p]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8} = {
 2.856332E+04  4.300000E-05 -1.500000E-05  4.000000E-06  4.000000E-06  9.000000E-06 -1.100000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 6.757191E+03  1.780000E-04 -6.100000E-05  1.500000E-05  1.800000E-05  3.600000E-05 -5.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.194652E+03  7.810000E-04 -2.670000E-04  6.500000E-05  8.100000E-05  1.680000E-04 -1.900000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 8.405257E+02  3.062000E-03 -1.049000E-03  2.520000E-04  3.180000E-04  6.150000E-04 -8.750000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 3.576666E+02  1.076800E-02 -3.707000E-03  8.980000E-04  1.124000E-03  2.356000E-03 -2.607000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.637534E+02  3.279200E-02 -1.143800E-02  2.756000E-03  3.468000E-03  6.677000E-03 -9.613000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 7.914466E+01  8.503600E-02 -3.032000E-02  7.376000E-03  9.214000E-03  1.944100E-02 -2.094600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.983858E+01  1.785820E-01 -6.587100E-02  1.593300E-02  2.004600E-02  3.802000E-02 -5.709500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.058536E+01  2.887830E-01 -1.106360E-01  2.719500E-02  3.388400E-02  7.439400E-02 -7.125000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.084307E+01  3.282520E-01 -1.337960E-01  3.259400E-02  4.128800E-02  7.466600E-02 -1.585200E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.777969E+00  2.104570E-01 -5.047000E-02  1.182100E-02  1.470000E-02  5.969800E-02 -1.879300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.043170E+00  5.519000E-02  1.841380E-01 -5.583700E-02 -6.621800E-02 -2.028460E-01  2.409470E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.570239E+00  1.883000E-03  3.986760E-01 -1.156350E-01 -1.436870E-01 -3.467910E-01  1.142385E+00  0.000000E+00  0.000000E+00  0.000000E+00
 7.949750E-01 -1.627000E-03  3.877830E-01 -1.386370E-01 -1.780180E-01 -4.971730E-01 -1.136620E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.889800E-01 -1.007000E-03  1.710070E-01  2.213000E-03 -3.358300E-02  1.159302E+00 -1.077488E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.573350E-01 -6.200000E-05  1.856500E-02  3.520420E-01  5.764400E-01  4.791120E-01  2.160207E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.658300E-02 -1.300000E-05 -5.590000E-04  5.411560E-01  5.110710E-01 -9.455920E-01 -1.131337E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.784400E-02  2.000000E-06  4.130000E-04  2.318380E-01  3.263200E-02 -7.011100E-02 -1.706590E-01  1.000000E+00  0.000000E+00  0.000000E+00
 5.650100E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.435000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
 2.443470E+02  3.510000E-04 -3.720000E-04 -5.750000E-04 -7.310000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 7.229260E+01  3.085000E-03 -3.277000E-03 -5.077000E-03 -7.095000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.764930E+01  1.525800E-02 -1.627900E-02 -2.551700E-02 -3.318600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.177780E+01  5.024500E-02 -5.431600E-02 -8.683400E-02 -1.269420E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.337310E+00  1.265230E-01 -1.399110E-01 -2.285650E-01 -3.250860E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.517600E+00  2.292800E-01 -2.390000E-01 -3.376560E-01 -3.625000E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.188810E+00  3.034060E-01 -2.538070E-01 -9.176600E-02  6.689130E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.499670E-01  3.088670E-01 -3.032200E-02  6.199220E-01  6.037430E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.457380E-01  2.310890E-01  3.839470E-01  3.937470E-01 -1.216481E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.045040E-01  1.037090E-01  4.879820E-01 -6.029800E-01  2.817010E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.114500E-02  1.356500E-02  1.379380E-01 -2.933000E-01  5.146800E-01  1.000000E+00  0.000000E+00  0.000000E+00
 3.443700E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.763800E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3} = {
 4.699900E+00  1.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.922100E+00  0.000000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 7.861000E-01  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.516000E-01  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1 coef:2} = {
 3.971800E+00  1.000000E+00  0.000000E+00  0.000000E+00
 1.635500E+00  0.000000E+00  1.000000E+00  0.000000E+00
 5.564000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = h puream = 1) (am = h puream = 1)]
   {exp coef:0 coef:1} = {
 3.643300E+00  1.000000E+00  0.000000E+00
 1.287500E+00  0.000000E+00  1.000000E+00
   })
 ]
% Correlation Consistent Basis Set for  Cr
% N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)
% Douglas-Kroll correlation consistent polarized weighted Core Valence Quadruple-zeta Basis Set for Cr
% Downloaded on 05/27/2006 from Kirk Peterson's web site:
% http://tyr0.chem.wsu.edu/~kipeters/basissets/tm3dbasis.html
 chromium: "cc-pwCVQZ-DK": [
  (type: [am = s am = s am = s am = s am = s am = s am = s am = s am = s am = s]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8 coef:9} = {
 1.101664E+07  5.400000E-05 -3.000000E-05  6.000000E-06 -1.000000E-06 -3.000000E-06 -5.000000E-06 -5.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 1.649423E+06  1.540000E-04 -8.600000E-05  1.800000E-05 -4.000000E-06 -8.000000E-06 -1.300000E-05 -1.500000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.753589E+05  4.120000E-04 -2.280000E-04  4.900000E-05 -1.100000E-05 -2.200000E-05 -3.500000E-05 -4.200000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.063236E+05  1.012000E-03 -5.620000E-04  1.210000E-04 -2.800000E-05 -5.500000E-05 -8.700000E-05 -9.900000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.468976E+04  2.460000E-03 -1.367000E-03  2.940000E-04 -6.700000E-05 -1.310000E-04 -2.080000E-04 -2.590000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.252483E+04  6.008000E-03 -3.352000E-03  7.250000E-04 -1.660000E-04 -3.380000E-04 -5.320000E-04 -5.660000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.885752E+03  1.487000E-02 -8.339000E-03  1.809000E-03 -4.120000E-04 -7.860000E-04 -1.254000E-03 -1.683000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.026918E+03  3.630900E-02 -2.064800E-02  4.540000E-03 -1.039000E-03 -2.166000E-03 -3.399000E-03 -3.308000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 8.843645E+02  8.330800E-02 -4.854300E-02  1.083700E-02 -2.463000E-03 -4.587000E-03 -7.361000E-03 -1.073900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.023170E+02  1.673620E-01 -1.032880E-01  2.415900E-02 -5.548000E-03 -1.190400E-02 -1.861000E-02 -1.603400E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.895271E+02  2.661030E-01 -1.836520E-01  4.596200E-02 -1.043800E-02 -1.849200E-02 -3.012800E-02 -5.115800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.186095E+01  2.761380E-01 -2.426780E-01  6.989700E-02 -1.623900E-02 -3.787200E-02 -5.872800E-02 -3.314300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.512476E+01  1.429680E-01 -1.497000E-01  4.669100E-02 -1.038500E-02 -9.363000E-03 -1.902700E-02 -1.014980E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.062512E+01  6.956900E-02  2.061910E-01 -9.992900E-02  2.242500E-02  1.770200E-02  3.884800E-02  2.332710E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.031973E+01  1.153580E-01  5.462950E-01 -3.685700E-01  9.247500E-02  2.547990E-01  4.187920E-01  2.014630E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.157723E+00  7.605000E-02  3.519330E-01 -3.424530E-01  8.336500E-02  7.072400E-02  1.853590E-01  8.803140E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.312628E+00  8.970000E-03  4.345100E-02  2.985130E-01 -8.214700E-02 -2.570700E-02 -5.215690E-01 -3.103087E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.103079E+00 -2.630000E-04 -3.487000E-03  6.976530E-01 -2.590250E-01 -1.136358E+00 -1.807587E+00  2.329039E+00  0.000000E+00  0.000000E+00  0.000000E+00
 4.980420E-01  7.100000E-05  5.200000E-05  2.956920E-01 -2.041760E-01  6.281400E-01  2.872505E+00  4.451650E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.182470E-01 -1.100000E-05 -1.960000E-04  9.590000E-03  3.777770E-01  1.883337E+00 -1.344882E+00 -3.888207E+00  0.000000E+00  0.000000E+00  0.000000E+00
 5.735600E-02  4.000000E-05  2.860000E-04 -1.075000E-03  5.588970E-01 -1.392949E+00 -7.200920E-01  5.561546E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.576000E-02  4.000000E-06 -1.300000E-05  1.277000E-03  2.276850E-01 -4.127350E-01  1.268857E+00 -2.723428E+00  1.000000E+00  0.000000E+00  0.000000E+00
 4.799100E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.428700E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [am = p am = p am = p am = p am = p am = p am = p am = p am = p]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8} = {
 3.153989E+04  4.600000E-05 -1.600000E-05  4.000000E-06  5.000000E-06  1.000000E-05 -1.300000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 7.460234E+03  1.840000E-04 -6.400000E-05  1.500000E-05  1.900000E-05  3.900000E-05 -5.400000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.422622E+03  7.930000E-04 -2.750000E-04  6.500000E-05  8.300000E-05  1.790000E-04 -2.070000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 9.277547E+02  3.074000E-03 -1.070000E-03  2.520000E-04  3.250000E-04  6.500000E-04 -9.320000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 3.948041E+02  1.076500E-02 -3.765000E-03  8.930000E-04  1.144000E-03  2.472000E-03 -2.799000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.808027E+02  3.274800E-02 -1.160700E-02  2.737000E-03  3.535000E-03  7.023000E-03 -1.019700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 8.742393E+01  8.499500E-02 -3.080300E-02  7.331000E-03  9.375000E-03  2.040500E-02 -2.258100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.403427E+01  1.788510E-01 -6.710200E-02  1.588600E-02  2.053100E-02  4.021000E-02 -6.085300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.277704E+01  2.896740E-01 -1.130240E-01  2.718000E-02  3.464800E-02  7.845800E-02 -7.796400E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.201547E+01  3.283500E-01 -1.359580E-01  3.242700E-02  4.238900E-02  7.947200E-02 -1.676820E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.411751E+00  2.090050E-01 -4.781500E-02  1.087100E-02  1.337300E-02  5.885100E-02 -1.077900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.381136E+00  5.439400E-02  1.907310E-01 -5.650600E-02 -6.840100E-02 -2.240270E-01  3.109570E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.747054E+00  2.005000E-03  4.011900E-01 -1.144660E-01 -1.487620E-01 -3.702630E-01  1.097624E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.850040E-01 -1.438000E-03  3.827710E-01 -1.329640E-01 -1.732490E-01 -4.376700E-01 -1.279556E+00  0.000000E+00  0.000000E+00  0.000000E+00
 4.330280E-01 -9.110000E-04  1.674310E-01  4.714000E-03 -2.076300E-02  1.164537E+00 -8.569200E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.739620E-01 -5.200000E-05  1.804000E-02  3.440550E-01  5.782720E-01  4.154860E-01  2.041165E+00  0.000000E+00  0.000000E+00  0.000000E+00
 7.282300E-02 -1.200000E-05 -6.540000E-04  5.412790E-01  5.031920E-01 -9.143280E-01 -1.120271E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.995200E-02  2.000000E-06  4.160000E-04  2.403980E-01  3.237400E-02 -6.277700E-02 -1.535980E-01  1.000000E+00  0.000000E+00  0.000000E+00
 6.455200E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.653100E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
 2.813120E+02  3.470000E-04 -3.940000E-04 -5.630000E-04  7.970000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 8.318850E+01  3.070000E-03 -3.494000E-03 -5.008000E-03  7.639000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.183960E+01  1.539500E-02 -1.759000E-02 -2.549200E-02  3.697000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.360260E+01  5.131900E-02 -5.962100E-02 -8.818200E-02  1.424390E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.182980E+00  1.296680E-01 -1.545140E-01 -2.353990E-01  3.758710E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.922700E+00  2.347810E-01 -2.603230E-01 -3.396410E-01  3.231850E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.382160E+00  3.080430E-01 -2.500610E-01 -3.761500E-02 -8.334330E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.394600E-01  3.080560E-01  2.278100E-02  6.602460E-01 -3.730540E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.848980E-01  2.239250E-01  4.192340E-01  2.965440E-01  1.213553E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.200450E-01  9.467900E-02  4.520610E-01 -6.557610E-01 -4.829450E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.622900E-02  1.068500E-02  1.033980E-01 -2.399970E-01 -3.748760E-01  1.000000E+00  0.000000E+00  0.000000E+00
 4.084800E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.140500E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3} = {
 5.663300E+00  1.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.336500E+00  0.000000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 9.639000E-01  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 3.142000E-01  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1 coef:2} = {
 4.669000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 1.953800E+00  0.000000E+00  1.000000E+00  0.000000E+00
 6.848000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = h puream = 1) (am = h puream = 1)]
   {exp coef:0 coef:1} = {
 4.413300E+00  1.000000E+00  0.000000E+00
 1.647200E+00  0.000000E+00  1.000000E+00
   })
 ]
% Correlation Consistent Basis Set for  Mn
% N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)
% Douglas-Kroll correlation consistent polarized weighted Core Valence Quadruple-zeta Basis Set for Mn
% Downloaded on 05/27/2006 from Kirk Peterson's web site:
% http://tyr0.chem.wsu.edu/~kipeters/basissets/tm3dbasis.html
 manganese: "cc-pwCVQZ-DK": [
  (type: [am = s am = s am = s am = s am = s am = s am = s am = s am = s am = s]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8 coef:9} = {
 1.221050E+07  5.800000E-05 -2.800000E-05  7.000000E-06 -2.000000E-06 -3.000000E-06 -5.000000E-06 -6.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 1.828157E+06  1.650000E-04 -7.900000E-05  1.900000E-05 -4.000000E-06 -9.000000E-06 -1.400000E-05 -1.600000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 4.160303E+05  4.380000E-04 -2.090000E-04  5.100000E-05 -1.100000E-05 -2.300000E-05 -3.700000E-05 -4.400000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.178436E+05  1.070000E-03 -5.120000E-04  1.250000E-04 -2.800000E-05 -5.700000E-05 -9.100000E-05 -1.040000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 3.844814E+04  2.576000E-03 -1.236000E-03  3.020000E-04 -6.700000E-05 -1.340000E-04 -2.130000E-04 -2.660000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.388171E+04  6.227000E-03 -3.000000E-03  7.350000E-04 -1.640000E-04 -3.410000E-04 -5.440000E-04 -5.870000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 5.415002E+03  1.525500E-02 -7.392000E-03  1.816000E-03 -4.050000E-04 -7.900000E-04 -1.254000E-03 -1.677000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.246460E+03  3.699300E-02 -1.819900E-02  4.520000E-03 -1.009000E-03 -2.145000E-03 -3.424000E-03 -3.407000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 9.801463E+02  8.470200E-02 -4.277500E-02  1.076300E-02 -2.399000E-03 -4.560000E-03 -7.240000E-03 -1.050600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.458952E+02  1.707500E-01 -9.167400E-02  2.396500E-02 -5.357000E-03 -1.173400E-02 -1.877400E-02 -1.675100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.100558E+02  2.743970E-01 -1.657000E-01  4.583800E-02 -1.022900E-02 -1.851800E-02 -2.945600E-02 -4.955500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.018046E+02  2.920430E-01 -2.259060E-01  7.017100E-02 -1.579300E-02 -3.758700E-02 -6.067800E-02 -3.814200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.001126E+01  1.562220E-01 -1.460020E-01  4.899200E-02 -1.094700E-02 -1.091900E-02 -1.724600E-02 -9.515200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.293939E+01  5.706200E-02  2.013410E-01 -9.694300E-02  2.189600E-02  1.729300E-02  2.783700E-02  2.112910E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.152264E+01  8.083500E-02  5.511090E-01 -3.667830E-01  8.815400E-02  2.491810E-01  4.339450E-01  2.315620E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.776338E+00  5.542400E-02  3.649400E-01 -3.506890E-01  8.583600E-02  8.036700E-02  1.645920E-01  8.752810E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.625959E+00  6.629000E-03  4.686200E-02  2.826890E-01 -8.057900E-02 -1.877000E-02 -4.097160E-01 -2.972955E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.260322E+00 -2.790000E-04 -4.910000E-03  6.877440E-01 -2.334220E-01 -1.096898E+00 -1.964560E+00  1.940533E+00  0.000000E+00  0.000000E+00  0.000000E+00
 5.771300E-01 -7.200000E-05 -8.110000E-04  3.208270E-01 -2.180350E-01  5.280050E-01  2.839549E+00  8.065440E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.365820E-01 -3.000000E-06 -2.310000E-04  1.429700E-02  3.213000E-01  1.805772E+00 -9.662380E-01 -3.865274E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.353500E-02  1.800000E-05  2.610000E-04 -3.961000E-03  5.871860E-01 -1.168371E+00 -1.139342E+00  5.365495E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.852100E-02  4.000000E-06 -1.900000E-05  2.153000E-03  2.516040E-01 -5.016020E-01  1.403915E+00 -2.645465E+00  1.000000E+00  0.000000E+00  0.000000E+00
 5.338900E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.601300E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [am = p am = p am = p am = p am = p am = p am = p am = p am = p]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8} = {
 3.500512E+04  4.800000E-05 -1.700000E-05 -4.000000E-06  5.000000E-06  1.100000E-05 -1.500000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 8.279462E+03  1.870000E-04 -6.500000E-05 -1.500000E-05  2.000000E-05  4.200000E-05 -6.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.688465E+03  7.950000E-04 -2.760000E-04 -6.400000E-05  8.700000E-05  1.890000E-04 -2.330000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.029490E+03  3.045000E-03 -1.063000E-03 -2.440000E-04  3.310000E-04  6.700000E-04 -9.920000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.380708E+02  1.062200E-02 -3.728000E-03 -8.620000E-04  1.168000E-03  2.572000E-03 -3.107000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.006153E+02  3.231200E-02 -1.149600E-02 -2.640000E-03  3.583000E-03  7.212000E-03 -1.081600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.700769E+01  8.410600E-02 -3.060300E-02 -7.104000E-03  9.614000E-03  2.133200E-02 -2.535000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.887052E+01  1.778670E-01 -6.706700E-02 -1.544900E-02  2.096300E-02  4.158200E-02 -6.475100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.529281E+01  2.896740E-01 -1.137030E-01 -2.667000E-02  3.609500E-02  8.329600E-02 -9.065700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.335382E+01  3.295160E-01 -1.370730E-01 -3.171200E-02  4.326000E-02  8.121400E-02 -1.700890E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.131786E+00  2.101060E-01 -4.677900E-02 -1.063800E-02  1.459300E-02  6.639000E-02 -3.862400E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.764365E+00  5.430900E-02  1.938100E-01  5.567500E-02 -7.391700E-02 -2.544520E-01  4.446210E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.946265E+00  9.210000E-04  4.032800E-01  1.103720E-01 -1.508130E-01 -3.788380E-01  1.059200E+00  0.000000E+00  0.000000E+00  0.000000E+00
 9.854550E-01 -2.545000E-03  3.802000E-01  1.279880E-01 -1.784340E-01 -3.911210E-01 -1.546378E+00  0.000000E+00  0.000000E+00  0.000000E+00
 4.818650E-01 -1.386000E-03  1.659910E-01 -5.925000E-03  7.863000E-03  1.172428E+00 -4.568530E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.882222E-01 -1.010000E-04  1.760600E-02 -3.403060E-01  5.895700E-01  3.433290E-01  1.798800E+00  0.000000E+00  0.000000E+00  0.000000E+00
 7.753957E-02 -6.000000E-06 -9.790000E-04 -5.399780E-01  4.812390E-01 -8.913400E-01 -1.096230E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.154945E-02  0.000000E+00  4.900000E-04 -2.463620E-01  2.783400E-02 -4.349800E-02 -1.078890E-01  1.000000E+00  0.000000E+00  0.000000E+00
 7.342300E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.934000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
 3.131090E+02  3.590000E-04 -3.660000E-04 -5.780000E-04 -7.350000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 9.252760E+01  3.183000E-03 -3.255000E-03 -5.170000E-03 -6.642000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.541910E+01  1.604700E-02 -1.644100E-02 -2.634400E-02 -3.388400E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.515770E+01  5.374800E-02 -5.586500E-02 -9.197500E-02 -1.226080E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.909640E+00  1.349810E-01 -1.438070E-01 -2.428130E-01 -3.500800E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.272560E+00  2.407980E-01 -2.453650E-01 -3.418720E-01 -3.191570E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.549360E+00  3.099540E-01 -2.370140E-01 -2.695400E-02  7.228530E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.170940E-01  3.033480E-01  1.682100E-02  6.038520E-01  4.559420E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.193100E-01  2.162990E-01  3.826800E-01  3.360190E-01 -1.058993E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.341570E-01  9.171800E-02  4.703680E-01 -5.511860E-01  1.545530E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.140000E-02  1.148600E-02  1.551630E-01 -3.272110E-01  5.780840E-01  1.000000E+00  0.000000E+00  0.000000E+00
 4.685100E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.421700E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3} = {
 6.654000E+00  1.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.767600E+00  0.000000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 1.151100E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 3.812000E-01  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1 coef:2} = {
 5.468300E+00  1.000000E+00  0.000000E+00  0.000000E+00
 2.332700E+00  0.000000E+00  1.000000E+00  0.000000E+00
 8.520000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = h puream = 1) (am = h puream = 1)]
   {exp coef:0 coef:1} = {
 5.118500E+00  1.000000E+00  0.000000E+00
 1.966000E+00  0.000000E+00  1.000000E+00
   })
 ]
% Correlation Consistent Basis Set for  Fe
% N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)
% Douglas-Kroll correlation consistent polarized weighted Core Valence Quadruple-zeta Basis Set for Fe
% Downloaded on 05/27/2006 from Kirk Peterson's web site:
% http://tyr0.chem.wsu.edu/~kipeters/basissets/tm3dbasis.html
 iron: "cc-pwCVQZ-DK": [
  (type: [am = s am = s am = s am = s am = s am = s am = s am = s am = s am = s]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8 coef:9} = {
 1.327714E+07  6.000000E-05 -3.100000E-05  7.000000E-06 -2.000000E-06 -3.000000E-06 -5.000000E-06 -6.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 1.987888E+06  1.700000E-04 -8.800000E-05  2.100000E-05 -4.000000E-06 -9.000000E-06 -1.500000E-05 -1.700000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 4.523871E+05  4.500000E-04 -2.320000E-04  5.400000E-05 -1.200000E-05 -2.400000E-05 -3.900000E-05 -4.500000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.281437E+05  1.093000E-03 -5.650000E-04  1.320000E-04 -2.900000E-05 -5.900000E-05 -9.600000E-05 -1.070000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.180917E+04  2.613000E-03 -1.353000E-03  3.160000E-04 -6.900000E-05 -1.370000E-04 -2.240000E-04 -2.720000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.509533E+04  6.260000E-03 -3.256000E-03  7.640000E-04 -1.670000E-04 -3.440000E-04 -5.620000E-04 -5.940000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 5.888438E+03  1.519500E-02 -7.948000E-03  1.869000E-03 -4.080000E-04 -7.940000E-04 -1.301000E-03 -1.690000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.442876E+03  3.657700E-02 -1.941300E-02  4.621000E-03 -1.009000E-03 -2.130000E-03 -3.475000E-03 -3.383000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.065857E+03  8.337500E-02 -4.538200E-02  1.096100E-02 -2.390000E-03 -4.544000E-03 -7.462000E-03 -1.050200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.849096E+02  1.676340E-01 -9.679900E-02  2.436400E-02 -5.329000E-03 -1.157000E-02 -1.887000E-02 -1.644000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.284585E+02  2.688600E-01 -1.739720E-01  4.659600E-02 -1.017800E-02 -1.848100E-02 -3.056800E-02 -4.962200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.107453E+02  2.852350E-01 -2.350940E-01  7.137400E-02 -1.572000E-02 -3.693300E-02 -6.028900E-02 -3.654100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.443116E+01  1.525320E-01 -1.511880E-01  4.989000E-02 -1.092000E-02 -1.152900E-02 -2.059200E-02 -9.690900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.501096E+01  6.338100E-02  2.012780E-01 -9.958800E-02  2.206300E-02  1.922900E-02  3.578600E-02  2.140750E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.259262E+01  9.672400E-02  5.494000E-01 -3.739230E-01  8.807500E-02  2.443040E-01  4.216870E-01  2.010450E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.323202E+00  6.547000E-02  3.609330E-01 -3.489040E-01  8.365000E-02  8.270200E-02  2.092330E-01  9.699410E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.883384E+00  7.963000E-03  4.656000E-02  2.920800E-01 -8.175000E-02 -3.994500E-02 -4.975030E-01 -3.142628E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.382868E+00 -2.530000E-04 -4.016000E-03  6.871120E-01 -2.293920E-01 -1.039704E+00 -1.868319E+00  2.126705E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.322010E-01 -3.200000E-05 -4.730000E-04  3.152790E-01 -2.098240E-01  4.953030E-01  2.754584E+00  6.989570E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.492380E-01 -7.000000E-06 -2.090000E-04  1.385500E-02  3.095030E-01  1.695744E+00 -8.331090E-01 -3.729889E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.849400E-02  1.900000E-05  2.150000E-04 -3.439000E-03  5.849850E-01 -9.636980E-01 -1.231152E+00  5.145733E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.038100E-02  3.000000E-06 -2.100000E-05  2.151000E-03  2.627910E-01 -6.036830E-01  1.398649E+00 -2.527598E+00  1.000000E+00  0.000000E+00  0.000000E+00
 5.790000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.733500E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [am = p am = p am = p am = p am = p am = p am = p am = p am = p]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8} = {
 3.828205E+04  5.100000E-05 -1.800000E-05  4.000000E-06  6.000000E-06  1.300000E-05 -1.600000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 9.061556E+03  1.930000E-04 -6.800000E-05  1.500000E-05  2.300000E-05  4.600000E-05 -6.500000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.944450E+03  8.070000E-04 -2.850000E-04  6.200000E-05  9.600000E-05  2.060000E-04 -2.560000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.128158E+03  3.054000E-03 -1.082000E-03  2.350000E-04  3.580000E-04  7.160000E-04 -1.040000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 4.803380E+02  1.059100E-02 -3.773000E-03  8.270000E-04  1.270000E-03  2.759000E-03 -3.370000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.201368E+02  3.214200E-02 -1.161100E-02  2.522000E-03  3.842000E-03  7.643000E-03 -1.124100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.065482E+02  8.364900E-02 -3.090300E-02  6.796000E-03  1.044100E-02  2.287300E-02 -2.758200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.374262E+01  1.771500E-01 -6.786100E-02  1.478200E-02  2.247900E-02  4.408100E-02 -6.702100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.786318E+01  2.890860E-01 -1.153490E-01  2.565300E-02  3.959900E-02  8.998400E-02 -1.006940E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.474382E+01  3.291570E-01 -1.389140E-01  3.031300E-02  4.598300E-02  8.534000E-02 -1.703110E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.893351E+00  2.104230E-01 -4.662500E-02  1.020100E-02  1.757900E-02  7.727800E-02 -7.832300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.179497E+00  5.517400E-02  1.946700E-01 -5.319300E-02 -8.502800E-02 -2.972450E-01  6.077450E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.165669E+00  1.511000E-03  4.040100E-01 -1.036780E-01 -1.609090E-01 -4.067180E-01  9.645760E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.097240E+00 -2.183000E-03  3.786780E-01 -1.209980E-01 -1.945280E-01 -3.121550E-01 -1.792773E+00  0.000000E+00  0.000000E+00  0.000000E+00
 5.360850E-01 -1.218000E-03  1.665960E-01  3.108000E-03  5.820500E-02  1.205255E+00 -2.628900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.024530E-01 -8.500000E-05  1.753400E-02  3.283150E-01  6.259810E-01  1.894990E-01  1.546099E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.169500E-02 -2.000000E-06 -1.355000E-03  5.422430E-01  4.271460E-01 -8.424540E-01 -1.094969E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.261400E-02 -1.000000E-06  5.780000E-04  2.594080E-01  1.738800E-02 -1.683700E-02 -5.481900E-02  1.000000E+00  0.000000E+00  0.000000E+00
 8.368700E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.260100E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
 3.509950E+02  3.590000E-04 -3.950000E-04 -5.700000E-04 -8.190000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.036670E+02  3.185000E-03 -3.530000E-03 -5.117000E-03 -7.013000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.970430E+01  1.617600E-02 -1.794100E-02 -2.623400E-02 -3.784700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.703100E+01  5.455300E-02 -6.146100E-02 -9.206900E-02 -1.314140E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.789020E+00  1.367300E-01 -1.583160E-01 -2.464400E-01 -4.094000E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.699550E+00  2.420240E-01 -2.693400E-01 -3.502150E-01 -2.893670E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.755320E+00  3.084870E-01 -2.412260E-01  3.073600E-02  9.175770E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.128450E-01  3.004030E-01  5.857000E-02  6.477360E-01  2.020840E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.614410E-01  2.164630E-01  4.116150E-01  2.400240E-01 -1.076167E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.513460E-01  9.433000E-02  4.361600E-01 -6.048030E-01  4.017690E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.751300E-02  1.240500E-02  1.168730E-01 -2.676860E-01  4.150380E-01  1.000000E+00  0.000000E+00  0.000000E+00
 5.496700E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.892500E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3} = {
 7.782800E+00  1.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.258400E+00  0.000000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 1.364100E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 4.564000E-01  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1 coef:2} = {
 6.381600E+00  1.000000E+00  0.000000E+00  0.000000E+00
 2.771700E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.050500E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = h puream = 1) (am = h puream = 1)]
   {exp coef:0 coef:1} = {
 5.896400E+00  1.000000E+00  0.000000E+00
 2.344800E+00  0.000000E+00  1.000000E+00
   })
 ]
% Correlation Consistent Basis Set for  Co
% N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)
% Douglas-Kroll correlation consistent polarized weighted Core Valence Quadruple-zeta Basis Set for Co
% Downloaded on 05/27/2006 from Kirk Peterson's web site:
% http://tyr0.chem.wsu.edu/~kipeters/basissets/tm3dbasis.html
 cobalt: "cc-pwCVQZ-DK": [
  (type: [am = s am = s am = s am = s am = s am = s am = s am = s am = s am = s]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8 coef:9} = {
 1.437022E+07  6.300000E-05 -3.300000E-05  8.000000E-06 -2.000000E-06 -3.000000E-06 -6.000000E-06 -6.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 2.151540E+06  1.780000E-04 -9.400000E-05  2.200000E-05 -5.000000E-06 -9.000000E-06 -1.600000E-05 -1.800000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 4.896257E+05  4.680000E-04 -2.460000E-04  5.700000E-05 -1.200000E-05 -2.400000E-05 -4.200000E-05 -4.700000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.386903E+05  1.130000E-03 -5.960000E-04  1.390000E-04 -3.000000E-05 -5.900000E-05 -1.020000E-04 -1.110000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.524989E+04  2.683000E-03 -1.418000E-03  3.300000E-04 -7.000000E-05 -1.380000E-04 -2.390000E-04 -2.800000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.633762E+04  6.374000E-03 -3.382000E-03  7.910000E-04 -1.690000E-04 -3.430000E-04 -5.910000E-04 -6.050000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 6.373073E+03  1.533800E-02 -8.185000E-03  1.920000E-03 -4.100000E-04 -7.880000E-04 -1.367000E-03 -1.714000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.643958E+03  3.665600E-02 -1.984900E-02  4.714000E-03 -1.007000E-03 -2.085000E-03 -3.583000E-03 -3.376000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.153614E+03  8.318300E-02 -4.619100E-02  1.113300E-02 -2.376000E-03 -4.467000E-03 -7.782000E-03 -1.057100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.248606E+02  1.668550E-01 -9.827200E-02  2.469900E-02 -5.286000E-03 -1.123700E-02 -1.927100E-02 -1.619400E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.473069E+02  2.672920E-01 -1.763040E-01  4.720600E-02 -1.009000E-02 -1.818500E-02 -3.201400E-02 -5.003700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.199063E+02  2.833740E-01 -2.377920E-01  7.229500E-02 -1.557900E-02 -3.566900E-02 -6.091200E-02 -3.494700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.896429E+01  1.517480E-01 -1.523860E-01  5.038300E-02 -1.079500E-02 -1.193200E-02 -2.361500E-02 -9.934100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.713616E+01  6.524900E-02  2.036220E-01 -1.023930E-01  2.222700E-02  2.123700E-02  4.374200E-02  2.194560E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.368912E+01  1.004050E-01  5.501680E-01 -3.802180E-01  8.765700E-02  2.348300E-01  4.195750E-01  1.784260E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.882771E+00  6.723100E-02  3.578070E-01 -3.454400E-01  8.092100E-02  8.484800E-02  2.454930E-01  1.040195E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.144647E+00  8.126000E-03  4.576600E-02  3.024920E-01 -8.276100E-02 -6.156400E-02 -5.913480E-01 -3.301482E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.506266E+00 -2.610000E-04 -3.890000E-03  6.860590E-01 -2.246610E-01 -9.633490E-01 -1.772308E+00  2.345495E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.872680E-01 -3.900000E-05 -4.840000E-04  3.089540E-01 -2.015800E-01  4.435460E-01  2.679020E+00  5.436570E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.609720E-01 -8.000000E-06 -2.010000E-04  1.320600E-02  3.017660E-01  1.599495E+00 -7.274990E-01 -3.576126E+00  0.000000E+00  0.000000E+00  0.000000E+00
 7.301700E-02  1.400000E-05  1.790000E-04 -3.117000E-03  5.810930E-01 -7.695260E-01 -1.274708E+00  4.942109E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.207100E-02  1.000000E-06 -2.600000E-05  2.083000E-03  2.715420E-01 -7.064190E-01  1.366760E+00 -2.427247E+00  1.000000E+00  0.000000E+00  0.000000E+00
 6.245100E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.775200E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [am = p am = p am = p am = p am = p am = p am = p am = p am = p]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8} = {
 4.196140E+04  5.300000E-05 -1.900000E-05  4.000000E-06  7.000000E-06  1.400000E-05  1.800000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 9.928306E+03  1.980000E-04 -7.100000E-05  1.600000E-05  2.500000E-05  4.900000E-05  6.800000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.224971E+03  8.160000E-04 -2.910000E-04  6.400000E-05  1.030000E-04  2.170000E-04  2.720000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.235293E+03  3.054000E-03 -1.094000E-03  2.400000E-04  3.800000E-04  7.530000E-04  1.065000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 5.258469E+02  1.054400E-02 -3.796000E-03  8.410000E-04  1.341000E-03  2.852000E-03  3.543000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.409762E+02  3.196300E-02 -1.166700E-02  2.564000E-03  4.053000E-03  8.000000E-03  1.143100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.166418E+02  8.327500E-02 -3.109500E-02  6.914000E-03  1.103300E-02  2.364100E-02  2.911600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.884834E+01  1.768010E-01 -6.847300E-02  1.509700E-02  2.382200E-02  4.645900E-02  6.810500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.052910E+01  2.892520E-01 -1.168130E-01  2.625600E-02  4.213200E-02  9.308400E-02  1.082440E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.616943E+01  3.294090E-01 -1.403400E-01  3.104800E-02  4.892600E-02  9.211300E-02  1.709700E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.664236E+00  2.103030E-01 -4.553100E-02  1.006400E-02  1.823700E-02  7.742200E-02  1.038320E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.591943E+00  5.514800E-02  1.979890E-01 -5.460200E-02 -9.277900E-02 -3.214270E-01 -7.477390E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.381048E+00  1.578000E-03  4.052460E-01 -1.063460E-01 -1.742910E-01 -4.386490E-01 -8.092780E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.206246E+00 -2.145000E-03  3.766180E-01 -1.210550E-01 -1.949580E-01 -2.191060E-01  1.837364E+00  0.000000E+00  0.000000E+00  0.000000E+00
 5.888220E-01 -1.188000E-03  1.642500E-01  6.313000E-03  8.664400E-02  1.179445E+00 -1.406610E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.248930E-01 -8.000000E-05  1.732600E-02  3.283220E-01  6.196070E-01  1.324390E-01 -1.439892E+00  0.000000E+00  0.000000E+00  0.000000E+00
 9.044800E-02 -3.000000E-06 -1.159000E-03  5.404380E-01  4.155170E-01 -8.109210E-01  1.049830E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.582000E-02  0.000000E+00  5.260000E-04  2.615400E-01  2.007600E-02 -2.504700E-02  6.708100E-02  1.000000E+00  0.000000E+00  0.000000E+00
 9.415000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.575800E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
 3.715660E+02  3.980000E-04 -4.600000E-04 -6.110000E-04 -9.190000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.101150E+02  3.481000E-03 -4.061000E-03 -5.416000E-03 -7.597000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 4.242550E+01  1.736200E-02 -2.025800E-02 -2.723500E-02 -4.101100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.833690E+01  5.768200E-02 -6.858200E-02 -9.420800E-02 -1.379990E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.457300E+00  1.418110E-01 -1.734630E-01 -2.495960E-01 -4.392740E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.041790E+00  2.456560E-01 -2.858720E-01 -3.440740E-01 -2.345360E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.926030E+00  3.075020E-01 -2.288420E-01  8.303200E-02  9.736790E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.942810E-01  2.955950E-01  1.000240E-01  6.510980E-01  7.504000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.979880E-01  2.121670E-01  4.213280E-01  1.778030E-01 -1.030668E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.665000E-01  9.289600E-02  4.054680E-01 -6.155820E-01  4.434900E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.302500E-02  1.244200E-02  1.025170E-01 -2.569250E-01  3.813660E-01  1.000000E+00  0.000000E+00  0.000000E+00
 6.274800E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 3.309700E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3} = {
 8.972400E+00  1.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.777300E+00  0.000000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 1.590200E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 5.363000E-01  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1 coef:2} = {
 7.337700E+00  1.000000E+00  0.000000E+00  0.000000E+00
 3.225400E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.251000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = h puream = 1) (am = h puream = 1)]
   {exp coef:0 coef:1} = {
 6.717200E+00  1.000000E+00  0.000000E+00
 2.748500E+00  0.000000E+00  1.000000E+00
   })
 ]
% Correlation Consistent Basis Set for  Ni
% N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)
% Douglas-Kroll correlation consistent polarized weighted Core Valence Quadruple-zeta Basis Set for Ni
% Downloaded on 05/27/2006 from Kirk Peterson's web site:
% http://tyr0.chem.wsu.edu/~kipeters/basissets/tm3dbasis.html
 nickel: "cc-pwCVQZ-DK": [
  (type: [am = s am = s am = s am = s am = s am = s am = s am = s am = s am = s]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8 coef:9} = {
 1.550302E+07  6.800000E-05 -3.100000E-05  8.000000E-06 -2.000000E-06 -4.000000E-06 -6.000000E-06 -7.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 2.321071E+06  1.920000E-04 -8.700000E-05  2.300000E-05 -5.000000E-06 -1.000000E-05 -1.700000E-05 -1.900000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 5.281802E+05  5.030000E-04 -2.280000E-04  6.000000E-05 -1.300000E-05 -2.600000E-05 -4.500000E-05 -5.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.496040E+05  1.208000E-03 -5.490000E-04  1.450000E-04 -3.100000E-05 -6.300000E-05 -1.080000E-04 -1.170000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.880907E+04  2.849000E-03 -1.297000E-03  3.430000E-04 -7.300000E-05 -1.460000E-04 -2.530000E-04 -2.940000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.762239E+04  6.715000E-03 -3.072000E-03  8.140000E-04 -1.730000E-04 -3.590000E-04 -6.140000E-04 -6.290000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 6.874201E+03  1.602600E-02 -7.379000E-03  1.960000E-03 -4.150000E-04 -8.240000E-04 -1.433000E-03 -1.769000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.851857E+03  3.804500E-02 -1.780500E-02  4.779000E-03 -1.013000E-03 -2.147000E-03 -3.647000E-03 -3.453000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.244334E+03  8.601600E-02 -4.138400E-02  1.124100E-02 -2.381000E-03 -4.630000E-03 -8.126000E-03 -1.081100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.661547E+02  1.724730E-01 -8.847700E-02  2.488000E-02 -5.286000E-03 -1.146600E-02 -1.933600E-02 -1.639700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.667873E+02  2.771470E-01 -1.605330E-01  4.752200E-02 -1.008200E-02 -1.888500E-02 -3.377800E-02 -5.113200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.293752E+02  2.968780E-01 -2.211450E-01  7.270800E-02 -1.555500E-02 -3.609100E-02 -5.973300E-02 -3.477300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 6.365161E+01  1.607220E-01 -1.429300E-01  5.048700E-02 -1.072800E-02 -1.319300E-02 -2.919500E-02 -1.020090E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.933302E+01  5.320900E-02  2.105090E-01 -1.049100E-01  2.258700E-02  2.493500E-02  5.767200E-02  2.248130E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.482212E+01  6.707800E-02  5.571780E-01 -3.841580E-01  8.782300E-02  2.351510E-01  3.962980E-01  1.666290E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.460513E+00  4.510400E-02  3.587470E-01 -3.405100E-01  7.875000E-02  9.955900E-02  3.262820E-01  1.150408E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.413576E+00  5.163000E-03  4.480500E-02  3.128690E-01 -8.413100E-02 -9.912500E-02 -7.659990E-01 -3.667760E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.632884E+00 -1.680000E-04 -4.771000E-03  6.787890E-01 -2.212350E-01 -9.520230E-01 -1.595111E+00  2.908906E+00  0.000000E+00  0.000000E+00  0.000000E+00
 7.435790E-01 -8.100000E-05 -9.710000E-04  3.074190E-01 -1.943700E-01  4.790000E-01  2.605156E+00  1.233070E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.725920E-01  0.000000E+00 -2.250000E-04  1.466500E-02  2.958150E-01  1.499728E+00 -7.647690E-01 -3.256887E+00  0.000000E+00  0.000000E+00  0.000000E+00
 7.742000E-02  0.000000E+00  1.450000E-04 -3.954000E-03  5.768850E-01 -6.533590E-01 -1.174913E+00  4.630344E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.370100E-02  1.000000E-06 -4.200000E-05  2.290000E-03  2.790590E-01 -7.461110E-01  1.304732E+00 -2.307264E+00  1.000000E+00  0.000000E+00  0.000000E+00
 6.751100E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.857800E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [am = p am = p am = p am = p am = p am = p am = p am = p am = p]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8} = {
 4.506662E+04  5.700000E-05 -2.000000E-05  4.000000E-06  9.000000E-06  1.500000E-05  2.100000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.066264E+04  2.080000E-04 -7.400000E-05  1.500000E-05  3.100000E-05  5.400000E-05  7.700000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.463431E+03  8.460000E-04 -3.020000E-04  6.200000E-05  1.290000E-04  2.330000E-04  3.040000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.326624E+03  3.134000E-03 -1.126000E-03  2.270000E-04  4.670000E-04  8.060000E-04  1.171000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 5.647414E+02  1.076500E-02 -3.886000E-03  7.940000E-04  1.669000E-03  3.023000E-03  3.902000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.588288E+02  3.254100E-02 -1.191800E-02  2.410000E-03  4.942000E-03  8.505000E-03  1.248900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.253115E+02  8.462000E-02 -3.170800E-02  6.501000E-03  1.370300E-02  2.497400E-02  3.201200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 6.324233E+01  1.792530E-01 -6.974900E-02  1.414200E-02  2.888200E-02  4.931000E-02  7.420300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.282406E+01  2.920770E-01 -1.185830E-01  2.460100E-02  5.250900E-02  9.771200E-02  1.186720E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.739692E+01  3.290800E-01 -1.405920E-01  2.848700E-02  5.752500E-02  9.782300E-02  1.888440E-01  0.000000E+00  0.000000E+00  0.000000E+00
 9.324394E+00  2.060500E-01 -3.918200E-02  7.973000E-03  2.334100E-02  7.479300E-02  1.042450E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.938839E+00  5.218000E-02  2.070370E-01 -5.247500E-02 -1.314790E-01 -3.728930E-01 -9.857230E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.562025E+00  7.930000E-04  4.068660E-01 -9.615000E-02 -2.125180E-01 -4.521070E-01 -5.224120E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.299294E+00 -2.497000E-03  3.672130E-01 -1.098910E-01 -2.149510E-01 -8.318100E-02  2.008485E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.346780E-01 -1.340000E-03  1.625320E-01  5.277000E-03  2.264290E-01  1.181081E+00 -6.516730E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.325994E-01 -9.600000E-05  1.794900E-02  3.160560E-01  6.390330E-01 -9.963000E-02 -1.091067E+00  0.000000E+00  0.000000E+00  0.000000E+00
 9.152300E-02  5.000000E-06 -1.610000E-03  5.414170E-01  3.129740E-01 -7.437020E-01  1.009808E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.557400E-02 -2.000000E-06  6.620000E-04  2.756610E-01  1.200400E-02  4.090000E-04  8.265000E-03  1.000000E+00  0.000000E+00  0.000000E+00
 1.045400E+01  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.915600E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
 4.322742E+02  3.510000E-04 -3.600000E-04  5.070000E-04 -7.300000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.274570E+02  3.116000E-03 -3.219000E-03  4.577000E-03 -6.277000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 4.883096E+01  1.601100E-02 -1.654800E-02  2.354900E-02 -3.406300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.101675E+01  5.461400E-02 -5.727100E-02  8.318700E-02 -1.184390E-01  0.000000E+00  0.000000E+00  0.000000E+00
 9.657103E+00  1.364950E-01 -1.468730E-01  2.210890E-01 -3.663900E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.603053E+00  2.389110E-01 -2.479010E-01  3.398130E-01 -3.205530E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.189244E+00  3.000020E-01 -2.234890E-01  3.907800E-02  6.939770E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.014393E+00  2.906960E-01  1.323900E-02 -5.221520E-01  4.623840E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.503525E-01  2.209770E-01  3.104770E-01 -3.950570E-01 -8.214790E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.876531E-01  1.203230E-01  4.522510E-01  3.656590E-01 -1.860170E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.047793E-02  3.336900E-02  2.588190E-01  4.874920E-01  6.643020E-01  1.000000E+00  0.000000E+00  0.000000E+00
 6.886800E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 3.569600E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3} = {
 1.023600E+01  1.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
 4.345800E+00  0.000000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 1.845000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 6.302000E-01  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1 coef:2} = {
 8.480300E+00  1.000000E+00  0.000000E+00  0.000000E+00
 3.787500E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.521500E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = h puream = 1) (am = h puream = 1)]
   {exp coef:0 coef:1} = {
 7.595300E+00  1.000000E+00  0.000000E+00
 3.194800E+00  0.000000E+00  1.000000E+00
   })
 ]
% Correlation Consistent Basis Set for  Cu
% N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)
% Douglas-Kroll correlation consistent polarized weighted Core Valence Quadruple-zeta Basis Set for Cu
% Downloaded on 05/27/2006 from Kirk Peterson's web site:
% http://tyr0.chem.wsu.edu/~kipeters/basissets/tm3dbasis.html
 copper: "cc-pwCVQZ-DK": [
  (type: [am = s am = s am = s am = s am = s am = s am = s am = s am = s am = s]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8 coef:9} = {
 1.666549E+07  6.900000E-05 -3.900000E-05  9.000000E-06 -2.000000E-06 -3.000000E-06 -7.000000E-06 -7.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 2.495213E+06  1.920000E-04 -1.080000E-04  2.400000E-05 -5.000000E-06 -9.000000E-06 -1.900000E-05 -2.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 5.678507E+05  5.020000E-04 -2.830000E-04  6.400000E-05 -1.300000E-05 -2.400000E-05 -4.900000E-05 -5.200000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.608531E+05  1.200000E-03 -6.760000E-04  1.530000E-04 -3.100000E-05 -5.900000E-05 -1.170000E-04 -1.210000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 5.248186E+04  2.812000E-03 -1.588000E-03  3.590000E-04 -7.300000E-05 -1.370000E-04 -2.720000E-04 -3.000000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.894885E+04  6.576000E-03 -3.730000E-03  8.470000E-04 -1.730000E-04 -3.320000E-04 -6.580000E-04 -6.410000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 7.391655E+03  1.556300E-02 -8.880000E-03  2.024000E-03 -4.130000E-04 -7.580000E-04 -1.515000E-03 -1.783000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.066517E+03  3.666000E-02 -2.122300E-02  4.900000E-03 -1.002000E-03 -1.956000E-03 -3.859000E-03 -3.463000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.337994E+03  8.240100E-02 -4.889900E-02  1.147300E-02 -2.344000E-03 -4.214000E-03 -8.469000E-03 -1.077800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 6.087830E+02  1.643320E-01 -1.033220E-01  2.534100E-02 -5.192000E-03 -1.037200E-02 -2.039200E-02 -1.632200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.868980E+02  2.621450E-01 -1.841780E-01  4.832500E-02 -9.891000E-03 -1.714400E-02 -3.489600E-02 -5.082100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.391530E+02  2.764660E-01 -2.462790E-01  7.389200E-02 -1.524500E-02 -3.252600E-02 -6.340800E-02 -3.445100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 6.849455E+01  1.478900E-01 -1.557580E-01  5.091500E-02 -1.044900E-02 -1.201700E-02 -2.807800E-02 -1.011720E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.160108E+01  7.159900E-02  2.083890E-01 -1.083140E-01  2.256600E-02  2.396300E-02  5.705800E-02  2.246670E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.599158E+01  1.144220E-01  5.500740E-01 -3.914490E-01  8.644800E-02  2.119610E-01  4.302750E-01  1.699430E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.056510E+00  7.473300E-02  3.499800E-01 -3.369910E-01  7.533100E-02  8.428000E-02  2.973020E-01  1.113261E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.690329E+00  8.901000E-03  4.380900E-02  3.223440E-01 -8.421300E-02 -8.947200E-02 -7.723650E-01 -3.563214E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.762902E+00 -3.240000E-04 -3.669000E-03  6.829570E-01 -2.151650E-01 -8.091960E-01 -1.579862E+00  2.767509E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.012690E-01 -5.800000E-05 -5.070000E-04  2.970280E-01 -1.866230E-01  3.242170E-01  2.535085E+00  2.188800E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.842430E-01 -1.300000E-05 -1.860000E-04  1.197400E-02  2.899280E-01  1.447289E+00 -5.516530E-01 -3.266031E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.179300E-02  7.000000E-06  1.150000E-04 -2.692000E-03  5.722780E-01 -4.431320E-01 -1.312257E+00  4.560972E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.530300E-02 -3.000000E-06 -3.900000E-05  1.911000E-03  2.871010E-01 -8.818480E-01  1.281861E+00 -2.247963E+00  1.000000E+00  0.000000E+00  0.000000E+00
 7.231000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.908000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [am = p am = p am = p am = p am = p am = p am = p am = p am = p]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8} = {
 4.821841E+04  6.100000E-05 -2.200000E-05  4.000000E-06  9.000000E-06  1.700000E-05  2.100000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.142055E+04  2.180000E-04 -7.900000E-05  1.500000E-05  3.000000E-05  5.800000E-05  8.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.713569E+03  8.730000E-04 -3.170000E-04  6.200000E-05  1.240000E-04  2.460000E-04  2.990000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.423762E+03  3.199000E-03 -1.167000E-03  2.260000E-04  4.430000E-04  8.420000E-04  1.199000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 6.066041E+02  1.091500E-02 -4.002000E-03  7.840000E-04  1.574000E-03  3.131000E-03  3.744000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.782564E+02  3.286500E-02 -1.222800E-02  2.370000E-03  4.634000E-03  8.787000E-03  1.270800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.348449E+02  8.525800E-02 -3.246300E-02  6.388000E-03  1.284400E-02  2.570900E-02  3.033200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 6.812254E+01  1.802690E-01 -7.129400E-02  1.385900E-02  2.697000E-02  5.075200E-02  7.598300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.540088E+01  2.930290E-01 -1.210220E-01  2.411400E-02  4.912000E-02  1.002550E-01  1.085020E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.879029E+01  3.282030E-01 -1.421450E-01  2.757100E-02  5.299300E-02  1.005250E-01  2.051540E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.008356E+01  2.037720E-01 -3.636800E-02  7.097000E-03  2.061700E-02  7.335000E-02  5.701500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.346120E+00  5.146100E-02  2.125470E-01 -5.192400E-02 -1.226650E-01 -3.887260E-01 -9.117820E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.775228E+00  1.373000E-03  4.098670E-01 -9.260400E-02 -1.911910E-01 -4.495470E-01 -5.409620E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.407564E+00 -1.893000E-03  3.653240E-01 -1.055640E-01 -2.074430E-01 -7.661700E-02  1.949762E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.872130E-01 -1.034000E-03  1.559160E-01  6.378000E-03  1.926460E-01  1.182070E+00 -5.880390E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.473970E-01 -6.000000E-05  1.549700E-02  3.117760E-01  6.490010E-01 -9.965900E-02 -1.130224E+00  0.000000E+00  0.000000E+00  0.000000E+00
 9.618700E-02  0.000000E+00 -1.545000E-03  5.407510E-01  3.287320E-01 -7.171210E-01  1.044146E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.694800E-02 -1.000000E-06  5.930000E-04  2.820740E-01  1.000400E-02  5.455000E-03  1.280000E-04  1.000000E+00  0.000000E+00  0.000000E+00
 1.192180E+01  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 3.232500E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
 5.563170E+02  2.610000E-04 -3.240000E-04  3.890000E-04 -6.030000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.636920E+02  2.344000E-03 -2.918000E-03  3.534000E-03 -5.054000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 6.279730E+01  1.248600E-02 -1.559400E-02  1.893600E-02 -2.932000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.724780E+01  4.428200E-02 -5.596100E-02  6.892800E-02 -1.016320E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.262980E+01  1.159340E-01 -1.518160E-01  1.972720E-01 -3.526730E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.103410E+00  2.174500E-01 -2.797870E-01  3.487360E-01 -4.213890E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.965448E+00  2.914210E-01 -2.715330E-01  5.970300E-02  7.343300E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.412653E+00  2.983570E-01  1.809000E-02 -5.596990E-01  5.564940E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.498450E-01  2.379860E-01  3.562040E-01 -3.880260E-01 -9.765450E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.837010E-01  1.332530E-01  4.201600E-01  4.383270E-01 -8.991300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.133290E-01  3.512400E-02  1.937780E-01  4.888630E-01  6.543320E-01  1.000000E+00  0.000000E+00  0.000000E+00
 8.480400E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 4.455300E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3} = {
 1.194630E+01  1.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
 5.034500E+00  0.000000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 2.121700E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 7.284000E-01  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1 coef:2} = {
 9.593400E+00  1.000000E+00  0.000000E+00  0.000000E+00
 4.308300E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.749400E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = h puream = 1) (am = h puream = 1)]
   {exp coef:0 coef:1} = {
 8.570400E+00  1.000000E+00  0.000000E+00
 3.729300E+00  0.000000E+00  1.000000E+00
   })
 ]
% Correlation Consistent Basis Set for  Zn
% N.B. Balabanov and K.A. Peterson, J. Chem. Phys. 123, 064107 (2005)
% Douglas-Kroll correlation consistent polarized weighted Core Valence Quadruple-zeta Basis Set for Zn
% Downloaded on 05/27/2006 from Kirk Peterson's web site:
% http://tyr0.chem.wsu.edu/~kipeters/basissets/tm3dbasis.html
 zinc: "cc-pwCVQZ-DK": [
  (type: [am = s am = s am = s am = s am = s am = s am = s am = s am = s am = s]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8 coef:9} = {
 1.785293E+07  7.900000E-05 -2.500000E-05  9.000000E-06 -2.000000E-06 -5.000000E-06  7.000000E-06 -1.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.673038E+06  2.200000E-04 -6.900000E-05  2.600000E-05 -5.000000E-06 -1.500000E-05  2.100000E-05 -2.800000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 6.083244E+05  5.730000E-04 -1.810000E-04  6.900000E-05 -1.400000E-05 -3.900000E-05  5.400000E-05 -7.300000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.723176E+05  1.364000E-03 -4.320000E-04  1.640000E-04 -3.300000E-05 -9.300000E-05  1.270000E-04 -1.710000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 5.622269E+04  3.179000E-03 -1.008000E-03  3.820000E-04 -7.700000E-05 -2.130000E-04  2.990000E-04 -4.140000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 2.029985E+04  7.382000E-03 -2.358000E-03  8.950000E-04 -1.820000E-04 -5.170000E-04  6.950000E-04 -9.140000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 7.918871E+03  1.734300E-02 -5.588000E-03  2.122000E-03 -4.290000E-04 -1.158000E-03  1.670000E-03 -2.374000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.285340E+03  4.062900E-02 -1.337700E-02  5.103000E-03 -1.036000E-03 -3.017000E-03  3.940000E-03 -5.012000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.433524E+03  9.112800E-02 -3.110600E-02  1.188800E-02 -2.405000E-03 -6.328000E-03  9.446000E-03 -1.390700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 6.522889E+02  1.824150E-01 -6.758200E-02  2.618600E-02 -5.337000E-03 -1.599200E-02  2.015200E-02 -2.451700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.074360E+02  2.944610E-01 -1.266200E-01  4.980500E-02 -1.009000E-02 -2.538300E-02  4.047100E-02 -6.337000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.491466E+02  3.208580E-01 -1.842860E-01  7.596600E-02 -1.567100E-02 -5.087800E-02  5.821100E-02 -6.185200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 7.345108E+01  1.763940E-01 -1.210030E-01  5.176600E-02 -1.040000E-02 -1.479300E-02  4.809200E-02 -1.068480E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.392562E+01  2.695000E-02  2.220190E-01 -1.129780E-01  2.312600E-02  3.055700E-02 -1.061780E-01  2.254310E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.718947E+01 -1.462000E-03  5.609470E-01 -4.012980E-01  8.994500E-02  3.475700E-01 -3.822290E-01  5.674800E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.666595E+00  9.880000E-04  3.524860E-01 -3.347370E-01  7.351200E-02  1.094030E-01 -5.135870E-01  1.010752E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.972505E+00 -4.540000E-04  4.543300E-02  3.331000E-01 -8.500300E-02 -2.208400E-01  1.535796E+00 -5.561170E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.894665E+00  1.670000E-04  5.200000E-05  6.889720E-01 -2.289690E-01 -1.304411E+00  6.749030E-01  6.991500E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.593850E-01 -6.700000E-05  1.009000E-03  2.848640E-01 -1.810930E-01  1.066357E+00 -2.542236E+00 -3.542460E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.952560E-01  2.100000E-05 -1.180000E-04  8.244000E-03  3.479990E-01  1.427174E+00  2.336824E+00  3.952800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 8.585400E-02 -1.500000E-05  8.900000E-05 -3.093000E-03  5.700400E-01 -1.261361E+00 -9.072220E-01  1.626683E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.678100E-02  5.000000E-06 -2.800000E-05  7.950000E-04  2.366770E-01 -1.992220E-01 -4.593710E-01 -1.317716E+00  1.000000E+00  0.000000E+00  0.000000E+00
 8.575100E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 3.247500E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [am = p am = p am = p am = p am = p am = p am = p am = p am = p]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7 coef:8} = {
 5.286793E+04  6.300000E-05 -2.400000E-05  4.000000E-06  8.000000E-06  1.700000E-05 -2.200000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.251179E+04  2.210000E-04 -8.300000E-05  1.500000E-05  2.700000E-05  5.800000E-05 -8.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 4.065286E+03  8.710000E-04 -3.270000E-04  6.100000E-05  1.090000E-04  2.460000E-04 -2.860000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.557595E+03  3.155000E-03 -1.191000E-03  2.180000E-04  3.850000E-04  8.210000E-04 -1.185000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 6.632892E+02  1.071400E-02 -4.065000E-03  7.550000E-04  1.354000E-03  3.090000E-03 -3.493000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.041561E+02  3.222800E-02 -1.240200E-02  2.276000E-03  4.008000E-03  8.500000E-03 -1.253200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.473680E+02  8.377000E-02 -3.297600E-02  6.153000E-03  1.105500E-02  2.541700E-02 -2.813700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 7.445469E+01  1.778440E-01 -7.268300E-02  1.339000E-02  2.349100E-02  4.921000E-02 -7.600000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.871493E+01  2.905790E-01 -1.239840E-01  2.346700E-02  4.257700E-02  1.006690E-01 -9.850600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.057022E+01  3.275000E-01 -1.462900E-01  2.689200E-02  4.686100E-02  9.650900E-02 -2.143670E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.105425E+01  2.059230E-01 -4.022800E-02  7.442000E-03  1.772200E-02  8.192700E-02 -2.651100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.874661E+00  5.491400E-02  2.098190E-01 -4.977600E-02 -1.003030E-01 -3.834010E-01  7.728880E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.052936E+00  4.909000E-03  4.113650E-01 -8.906300E-02 -1.633930E-01 -4.182030E-01  6.874980E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.547225E+00  9.730000E-04  3.688220E-01 -1.028810E-01 -1.893930E-01 -1.677070E-01 -1.874844E+00  0.000000E+00  0.000000E+00  0.000000E+00
 7.541510E-01  1.840000E-04  1.542010E-01  4.221000E-03  1.172440E-01  1.194809E+00  3.864500E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.655530E-01  5.000000E-05  1.414200E-02  3.049800E-01  6.469500E-01 -1.921000E-03  1.243615E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.019080E-01 -1.200000E-05 -1.504000E-03  5.410500E-01  3.799520E-01 -7.337660E-01 -1.072597E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.862300E-02  3.000000E-06  5.700000E-04  2.914200E-01  9.021000E-03  1.051500E-02  3.215000E-03  1.000000E+00  0.000000E+00  0.000000E+00
 1.265890E+01  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 3.445200E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1) (am = d puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6} = {
 6.900847E+02  2.080000E-04 -2.900000E-04 -3.220000E-04  4.570000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 2.023066E+02  1.880000E-03 -2.630000E-03 -2.980000E-03  3.791000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 7.744594E+01  1.031500E-02 -1.453400E-02 -1.635300E-02  2.303600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.368378E+01  3.793400E-02 -5.393300E-02 -6.167300E-02  8.120200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.566998E+01  1.028900E-01 -1.524270E-01 -1.858900E-01  2.937930E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.622470E+00  2.026810E-01 -3.000970E-01 -3.750080E-01  4.477370E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.749978E+00  2.845300E-01 -3.103010E-01 -4.018200E-02 -6.033540E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.818151E+00  3.024300E-01  2.185700E-02  6.109590E-01 -6.904040E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.555970E-01  2.489250E-01  3.961220E-01  3.386520E-01  9.760680E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.838420E-01  1.422960E-01  3.968090E-01 -4.891340E-01  2.286070E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.579520E-01  3.782000E-02  1.396290E-01 -4.651830E-01 -8.074580E-01  1.000000E+00  0.000000E+00  0.000000E+00
 9.210600E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 5.196600E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = f puream = 1) (am = f puream = 1) (am = f puream = 1) (am = f puream = 1)]
   {exp coef:0 coef:1 coef:2 coef:3} = {
 1.314920E+01  1.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00
 5.620600E+00  0.000000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 2.402500E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 8.403000E-01  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1 coef:2} = {
 1.076220E+01  1.000000E+00  0.000000E+00  0.000000E+00
 4.901000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.037800E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = h puream = 1) (am = h puream = 1)]
   {exp coef:0 coef:1} = {
 9.605600E+00  1.000000E+00  0.000000E+00
 4.339600E+00  0.000000E+00  1.000000E+00
   })
 ]
)