/usr/share/mpqc/3.0.0-alpha/basis/cc-pwcvtz-dk.kv

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 Triple-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-pwCVTZ-DK": [
  (type: [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} = {
 2.715278E+06  1.060000E-04 -6.100000E-05  1.200000E-05 -3.000000E-06 -5.000000E-06 -8.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 4.065984E+05  3.170000E-04 -1.820000E-04  3.600000E-05 -9.000000E-06 -1.500000E-05 -2.400000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 9.253004E+04  9.050000E-04 -5.200000E-04  1.020000E-04 -2.500000E-05 -4.300000E-05 -6.700000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.620792E+04  2.464000E-03 -1.417000E-03  2.800000E-04 -6.800000E-05 -1.190000E-04 -1.900000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 8.549429E+03  6.780000E-03 -3.912000E-03  7.740000E-04 -1.870000E-04 -3.170000E-04 -4.920000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 3.085975E+03  1.867900E-02 -1.085300E-02  2.163000E-03 -5.230000E-04 -9.330000E-04 -1.512000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.203172E+03  4.941800E-02 -2.915500E-02  5.883000E-03 -1.424000E-03 -2.369000E-03 -3.616000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 4.984869E+02  1.172100E-01 -7.160000E-02  1.488700E-02 -3.597000E-03 -6.551000E-03 -1.079000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.167360E+02  2.280410E-01 -1.504450E-01  3.313200E-02 -8.033000E-03 -1.299800E-02 -1.935100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.787476E+01  3.098720E-01 -2.435420E-01  6.028500E-02 -1.459800E-02 -2.788900E-02 -4.767600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.520433E+01  2.175500E-01 -2.334530E-01  6.745900E-02 -1.651400E-02 -2.265200E-02 -2.815800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.021187E+01  7.248600E-02  4.499700E-02 -2.501500E-02  6.289000E-03 -4.673000E-03 -2.794700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.574751E+00  1.159500E-01  4.960340E-01 -2.708040E-01  6.826300E-02  1.586420E-01  3.104550E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.540346E+00  1.166380E-01  4.848560E-01 -4.320030E-01  1.165590E-01  1.412640E-01  1.769890E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.995687E+00  1.982300E-02  8.756700E-02  7.649300E-02 -2.994900E-02  9.343500E-02  2.158550E-01  0.000000E+00  0.000000E+00  0.000000E+00
 9.422150E-01 -4.880000E-04 -5.283000E-03  7.030970E-01 -2.308390E-01 -8.973280E-01 -2.388085E+00  0.000000E+00  0.000000E+00  0.000000E+00
 4.178450E-01  1.830000E-04  6.420000E-04  4.425890E-01 -3.023230E-01  5.970600E-02  2.387838E+00  0.000000E+00  0.000000E+00  0.000000E+00
 9.576100E-02 -7.000000E-05 -6.970000E-04  2.813800E-02  2.699030E-01  2.309726E+00  8.272680E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.135100E-02  6.300000E-05  5.790000E-04 -1.221900E-02  5.919260E-01 -1.286221E+00 -3.341786E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.387800E-02 -1.300000E-05 -1.410000E-04  4.231000E-03  3.036850E-01 -7.165160E-01  2.221675E+00  1.000000E+00  0.000000E+00  0.000000E+00
 2.647200E+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
 6.217000E-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 = 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} = {
 1.059219E+04  1.010000E-04 -3.300000E-05 -8.000000E-06  1.000000E-05  2.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.507533E+03  5.310000E-04 -1.740000E-04 -4.200000E-05  5.200000E-05  9.900000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 8.144571E+02  2.612000E-03 -8.600000E-04 -2.100000E-04  2.530000E-04  5.400000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 3.115195E+02  1.062400E-02 -3.515000E-03 -8.550000E-04  1.051000E-03  1.976000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.319617E+02  3.597500E-02 -1.205400E-02 -2.952000E-03  3.555000E-03  7.619000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 5.998718E+01  9.924200E-02 -3.406900E-02 -8.312000E-03  1.021800E-02  1.893500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.866250E+01  2.117340E-01 -7.521300E-02 -1.853100E-02  2.220400E-02  4.886500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.410851E+01  3.300720E-01 -1.224250E-01 -3.003300E-02  3.728600E-02  6.486100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 7.103706E+00  3.297560E-01 -1.293380E-01 -3.264100E-02  3.782400E-02  1.074880E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.609200E+00  1.568380E-01  1.627400E-02  8.348000E-03 -4.972000E-03 -6.075800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.776070E+00  2.180500E-02  3.101820E-01  8.799200E-02 -1.112850E-01 -1.669220E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.547600E-01 -1.797000E-03  4.626890E-01  1.519130E-01 -1.627100E-01 -7.590390E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.022390E-01 -1.435000E-03  3.035190E-01  9.640600E-02 -1.826910E-01  6.295020E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.546800E-01 -3.000000E-04  5.051500E-02 -2.563870E-01  3.998710E-01  1.163794E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.488800E-02  3.700000E-05 -4.393000E-03 -5.874490E-01  6.854100E-01 -1.023917E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.630100E-02 -1.400000E-05  1.807000E-03 -3.062660E-01  7.519500E-02 -1.794770E-01  1.000000E+00  0.000000E+00  0.000000E+00
 3.441800E+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
 8.084000E-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
   })
  (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)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
 5.065420E+01  4.252000E-03 -4.396000E-03  5.763000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.473250E+01  2.746500E-02 -2.826300E-02  3.643600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.180460E+00  9.922700E-02 -1.047920E-01  1.387320E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.019590E+00  2.299670E-01 -2.343530E-01  3.008260E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.992190E-01  3.442870E-01 -3.255090E-01  3.149790E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.053160E-01  3.736260E-01 -6.999500E-02 -7.436330E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.104440E-01  2.680210E-01  5.949220E-01 -2.346380E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.706500E-02  6.616800E-02  3.975880E-01  8.027730E-01  1.000000E+00  0.000000E+00  0.000000E+00
 1.852000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 7.875000E-01  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)]
   {exp coef:0 coef:1 coef:2} = {
 2.104800E+00  1.000000E+00  0.000000E+00  0.000000E+00
 6.587000E-01  0.000000E+00  1.000000E+00  0.000000E+00
 1.636000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1} = {
 1.785000E+00  1.000000E+00  0.000000E+00
 4.112000E-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 Triple-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-pwCVTZ-DK": [
  (type: [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} = {
 3.014643E+06  1.120000E-04 -6.300000E-05  1.300000E-05 -3.000000E-06 -6.000000E-06 -9.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 4.514329E+05  3.320000E-04 -1.890000E-04  3.800000E-05 -9.000000E-06 -1.700000E-05 -2.700000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.027338E+05  9.400000E-04 -5.350000E-04  1.090000E-04 -2.600000E-05 -4.800000E-05 -7.500000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.909817E+04  2.532000E-03 -1.443000E-03  2.940000E-04 -7.000000E-05 -1.310000E-04 -2.080000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 9.492330E+03  6.879000E-03 -3.933000E-03  8.030000E-04 -1.910000E-04 -3.460000E-04 -5.370000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 3.426346E+03  1.874900E-02 -1.079600E-02  2.220000E-03 -5.260000E-04 -1.009000E-03 -1.617000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.335896E+03  4.929400E-02 -2.882900E-02  5.999000E-03 -1.424000E-03 -2.532000E-03 -3.887000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 5.535026E+02  1.166940E-01 -7.067400E-02  1.514900E-02 -3.593000E-03 -7.042000E-03 -1.141900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.406925E+02  2.273250E-01 -1.487780E-01  3.373300E-02 -8.022000E-03 -1.382900E-02 -2.087800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.087293E+02  3.105540E-01 -2.420600E-01  6.156300E-02 -1.464600E-02 -3.022100E-02 -5.039700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.026457E+01  2.205840E-01 -2.347210E-01  6.946200E-02 -1.666100E-02 -2.398100E-02 -3.209300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.258004E+01  7.324700E-02  4.220600E-02 -2.415500E-02  5.889000E-03 -7.185000E-03 -2.694600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.071432E+01  1.131540E-01  4.983350E-01 -2.789840E-01  6.934700E-02  1.758840E-01  3.275740E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.093546E+00  1.136590E-01  4.868870E-01 -4.386710E-01  1.159210E-01  1.462460E-01  2.147230E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.244183E+00  1.931600E-02  8.790400E-02  9.090600E-02 -3.271700E-02  9.718400E-02  1.170160E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.059570E+00 -4.650000E-04 -5.264000E-03  7.091310E-01 -2.334140E-01 -1.001736E+00 -2.408024E+00  0.000000E+00  0.000000E+00  0.000000E+00
 4.688490E-01  1.590000E-04  5.520000E-04  4.311640E-01 -2.869410E-01  1.999570E-01  2.593619E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.061430E-01 -5.900000E-05 -6.280000E-04  2.589800E-02  2.839540E-01  2.218104E+00  1.447480E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.526200E-02  6.200000E-05  5.530000E-04 -1.100700E-02  5.841130E-01 -1.342323E+00 -2.525312E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.546500E-02 -8.000000E-06 -1.180000E-04  3.889000E-03  2.949620E-01 -6.139360E-01  1.947680E+00  1.000000E+00  0.000000E+00  0.000000E+00
 2.969100E+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
 7.105000E-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 = 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} = {
 1.191203E+04  1.040000E-04 -3.500000E-05  8.000000E-06  1.000000E-05  2.100000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.819947E+03  5.330000E-04 -1.790000E-04  4.300000E-05  5.400000E-05  1.010000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 9.159479E+02  2.588000E-03 -8.700000E-04  2.090000E-04  2.610000E-04  5.360000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 3.503842E+02  1.047000E-02 -3.541000E-03  8.480000E-04  1.071000E-03  1.984000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.484825E+02  3.547100E-02 -1.215000E-02  2.925000E-03  3.639000E-03  7.529000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 6.753944E+01  9.816400E-02 -3.447100E-02  8.276000E-03  1.046100E-02  1.915100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.230332E+01  2.106310E-01 -7.659400E-02  1.855000E-02  2.298500E-02  4.867700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.592786E+01  3.301970E-01 -1.256220E-01  3.034000E-02  3.867200E-02  6.717900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 8.038035E+00  3.305000E-01 -1.320480E-01  3.271500E-02  3.949900E-02  1.039430E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.093916E+00  1.571860E-01  1.939600E-02 -8.720000E-03 -6.899000E-03 -5.556200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.022390E+00  2.196700E-02  3.164550E-01 -8.863600E-02 -1.146250E-01 -1.916650E-01  0.000000E+00  0.000000E+00  0.000000E+00
 9.761020E-01 -1.761000E-03  4.614890E-01 -1.491650E-01 -1.708870E-01 -6.969070E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.595950E-01 -1.430000E-03  2.980100E-01 -9.323200E-02 -1.652610E-01  5.747490E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.771950E-01 -2.900000E-04  4.951700E-02  2.507080E-01  4.058580E-01  1.170499E+00  0.000000E+00  0.000000E+00  0.000000E+00
 7.344200E-02  3.400000E-05 -4.108000E-03  5.861800E-01  6.742340E-01 -1.006377E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.933400E-02 -1.300000E-05  1.693000E-03  3.140930E-01  7.827900E-02 -2.004620E-01  1.000000E+00  0.000000E+00  0.000000E+00
 4.023400E+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
 9.417000E-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
   })
  (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)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
 6.434020E+01  3.883000E-03 -3.979000E-03  6.386000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.884180E+01  2.620400E-02 -2.676400E-02  4.330100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 6.719830E+00  9.688700E-02 -1.018940E-01  1.702500E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.656130E+00  2.316310E-01 -2.371110E-01  3.719460E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.073680E+00  3.519720E-01 -3.132860E-01  2.303500E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.205570E-01  3.725630E-01 -4.656300E-02 -7.820270E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.548170E-01  2.505630E-01  5.840720E-01 -1.235850E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.149000E-02  6.006200E-02  4.153220E-01  7.220380E-01  1.000000E+00  0.000000E+00  0.000000E+00
 2.383400E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.077500E+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)]
   {exp coef:0 coef:1 coef:2} = {
 2.837600E+00  1.000000E+00  0.000000E+00  0.000000E+00
 9.633000E-01  0.000000E+00  1.000000E+00  0.000000E+00
 2.788000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1} = {
 2.463900E+00  1.000000E+00  0.000000E+00
 7.092000E-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 Triple-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-pwCVTZ-DK": [
  (type: [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} = {
 3.321857E+06  1.180000E-04 -6.600000E-05  1.400000E-05 -3.000000E-06 -6.000000E-06 -1.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 4.974356E+05  3.490000E-04 -1.940000E-04  4.100000E-05 -1.000000E-05 -1.800000E-05 -2.900000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.132027E+05  9.820000E-04 -5.450000E-04  1.150000E-04 -2.700000E-05 -5.100000E-05 -8.100000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.206333E+04  2.618000E-03 -1.457000E-03  3.080000E-04 -7.200000E-05 -1.410000E-04 -2.240000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.045962E+04  7.032000E-03 -3.927000E-03  8.330000E-04 -1.940000E-04 -3.660000E-04 -5.750000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 3.775506E+03  1.896600E-02 -1.066800E-02  2.278000E-03 -5.300000E-04 -1.061000E-03 -1.702000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.472040E+03  4.954400E-02 -2.831600E-02  6.117000E-03 -1.425000E-03 -2.635000E-03 -4.097000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 6.099331E+02  1.170070E-01 -6.928800E-02  1.540800E-02 -3.589000E-03 -7.343000E-03 -1.189300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.652634E+02  2.280590E-01 -1.461110E-01  3.430100E-02 -8.003000E-03 -1.432700E-02 -2.202200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.198607E+02  3.128050E-01 -2.389450E-01  6.272200E-02 -1.466100E-02 -3.164100E-02 -5.240100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.544891E+01  2.243300E-01 -2.339170E-01  7.104700E-02 -1.670400E-02 -2.475000E-02 -3.499800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.498372E+01  7.358900E-02  4.210700E-02 -2.411900E-02  5.706000E-03 -8.638000E-03 -2.585100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.188056E+01  1.075150E-01  5.024910E-01 -2.872100E-01  7.035600E-02  1.872210E-01  3.416980E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.660311E+00  1.073700E-01  4.878150E-01 -4.426090E-01  1.145620E-01  1.479670E-01  2.399620E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.495703E+00  1.804800E-02  8.731200E-02  1.068750E-01 -3.595000E-02  9.330700E-02  3.100300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.177866E+00 -4.330000E-04 -5.353000E-03  7.133290E-01 -2.344200E-01 -1.056754E+00 -2.383583E+00  0.000000E+00  0.000000E+00  0.000000E+00
 5.200440E-01  1.240000E-04  4.350000E-04  4.194430E-01 -2.726820E-01  2.916520E-01  2.699287E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.159650E-01 -4.600000E-05 -5.700000E-04  2.383100E-02  2.965280E-01  2.133999E+00 -2.788310E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.893800E-02  5.900000E-05  5.410000E-04 -9.883000E-03  5.772100E-01 -1.354378E+00 -1.983653E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.694600E-02 -3.000000E-06 -9.700000E-05  3.633000E-03  2.866900E-01 -5.520240E-01  1.745272E+00  1.000000E+00  0.000000E+00  0.000000E+00
 3.325800E+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
 8.242000E-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 = 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} = {
 1.327320E+04  1.080000E-04 -3.700000E-05  9.000000E-06  1.100000E-05  2.300000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.142126E+03  5.390000E-04 -1.840000E-04  4.400000E-05  5.600000E-05  1.070000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.020588E+03  2.582000E-03 -8.830000E-04  2.140000E-04  2.660000E-04  5.570000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 3.904407E+02  1.039000E-02 -3.576000E-03  8.620000E-04  1.087000E-03  2.055000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.655043E+02  3.518900E-02 -1.226400E-02  2.972000E-03  3.688000E-03  7.788000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 7.532006E+01  9.758900E-02 -3.489100E-02  8.441000E-03  1.064000E-02  1.989100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.605503E+01  2.102360E-01 -7.788900E-02  1.899500E-02  2.346800E-02  5.075000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.780436E+01  3.306940E-01 -1.284150E-01  3.128900E-02  3.976300E-02  7.053300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.002929E+00  3.306980E-01 -1.338960E-01  3.333800E-02  4.018800E-02  1.081080E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.594544E+00  1.567000E-01  2.315900E-02 -1.007500E-02 -8.099000E-03 -6.067700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.276760E+00  2.185700E-02  3.220750E-01 -9.256200E-02 -1.183280E-01 -2.162910E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.101178E+00 -1.768000E-03  4.598860E-01 -1.488610E-01 -1.730030E-01 -6.786280E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.186380E-01 -1.457000E-03  2.931220E-01 -8.230200E-02 -1.539630E-01  6.035630E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.005740E-01 -2.830000E-04  4.844500E-02  2.504590E-01  4.118200E-01  1.114854E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.121700E-02  3.100000E-05 -3.703000E-03  5.799250E-01  6.696520E-01 -9.880720E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.173300E-02 -1.200000E-05  1.552000E-03  3.218540E-01  7.652100E-02 -1.855030E-01  1.000000E+00  0.000000E+00  0.000000E+00
 4.672400E+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
 1.086600E+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)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
 7.828410E+01  3.587000E-03 -3.818000E-03  5.980000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.301200E+01  2.497400E-02 -2.653100E-02  4.177900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 8.290160E+00  9.402900E-02 -1.030470E-01  1.689470E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.307910E+00  2.290420E-01 -2.466900E-01  3.831330E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.355550E+00  3.518030E-01 -3.129250E-01  2.118890E-01  0.000000E+00  1.000000E+00  0.000000E+00
 5.392580E-01  3.708890E-01 -2.758100E-02 -7.715530E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.012550E-01  2.485580E-01  5.660110E-01 -1.298600E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.714600E-02  6.290300E-02  4.242030E-01  7.325050E-01  1.000000E+00  0.000000E+00  0.000000E+00
 2.924000E+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)]
   {exp coef:0 coef:1 coef:2} = {
 3.618800E+00  1.000000E+00  0.000000E+00  0.000000E+00
 1.284600E+00  0.000000E+00  1.000000E+00  0.000000E+00
 4.057000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1} = {
 3.327200E+00  1.000000E+00  0.000000E+00
 1.112700E+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 Triple-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-pwCVTZ-DK": [
  (type: [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} = {
 6.177194E+06  8.400000E-05 -4.600000E-05  1.000000E-05 -2.000000E-06  4.000000E-06 -7.000000E-06  0.000000E+00  0.000000E+00  0.000000E+00
 9.249295E+05  2.410000E-04 -1.340000E-04  2.900000E-05 -7.000000E-06  1.300000E-05 -2.100000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 2.104865E+05  6.580000E-04 -3.640000E-04  7.800000E-05 -1.800000E-05  3.600000E-05 -5.800000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 5.962005E+04  1.673000E-03 -9.270000E-04  2.000000E-04 -4.500000E-05  8.800000E-05 -1.450000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.945076E+04  4.248000E-03 -2.361000E-03  5.110000E-04 -1.170000E-04  2.390000E-04 -3.840000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 7.022056E+03  1.088900E-02 -6.076000E-03  1.317000E-03 -2.980000E-04  5.570000E-04 -9.370000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 2.738763E+03  2.785900E-02 -1.572300E-02  3.447000E-03 -7.900000E-04  1.682000E-03 -2.648000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.135814E+03  6.788800E-02 -3.907800E-02  8.668000E-03 -1.957000E-03  3.490000E-03 -6.027000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 4.950923E+02  1.468020E-01 -8.871100E-02  2.049500E-02 -4.725000E-03  1.051200E-02 -1.620700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.247487E+02  2.556230E-01 -1.701120E-01  4.170100E-02 -9.368000E-03  1.539200E-02 -2.795500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.053836E+02  2.984080E-01 -2.472980E-01  6.930000E-02 -1.625000E-02  4.027700E-02 -5.934800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.019359E+01  1.745600E-01 -1.863810E-01  5.818900E-02 -1.254900E-02  7.394000E-03 -2.785900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.224957E+01  6.969000E-02  1.584390E-01 -7.618100E-02  1.555000E-02  1.405700E-02  1.706700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.098265E+01  1.141840E-01  5.481250E-01 -3.561380E-01  9.169100E-02 -2.936730E-01  4.205010E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.383665E+00  8.407000E-02  3.885790E-01 -3.726510E-01  8.542600E-02  3.010000E-03  2.026980E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.343685E+00  9.926000E-03  4.928100E-02  2.838030E-01 -6.625000E-02 -1.758500E-01 -4.517940E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.105202E+00 -3.160000E-04 -4.305000E-03  7.149340E-01 -2.868520E-01  1.500646E+00 -1.906791E+00  0.000000E+00  0.000000E+00  0.000000E+00
 4.878480E-01  5.900000E-05  1.110000E-04  2.908760E-01 -1.703030E-01 -1.126940E+00  2.895515E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.959900E-02  1.600000E-05 -2.700000E-05  6.909000E-03  6.967260E-01 -1.227088E+00 -2.237797E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.342300E-02  2.200000E-05  1.410000E-04  2.540000E-04  4.475590E-01  1.465239E+00  1.409665E+00  1.000000E+00  0.000000E+00  0.000000E+00
 4.828100E+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
 1.149900E+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]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7} = {
 1.445420E+04  1.150000E-04 -4.000000E-05  9.000000E-06  1.200000E-05  2.500000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.421676E+03  5.600000E-04 -1.940000E-04  4.600000E-05  5.900000E-05  1.160000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.111387E+03  2.653000E-03 -9.220000E-04  2.190000E-04  2.770000E-04  6.020000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.251918E+02  1.061200E-02 -3.711000E-03  8.780000E-04  1.121000E-03  2.198000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.802623E+02  3.586700E-02 -1.270600E-02  3.030000E-03  3.820000E-03  8.368000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 8.206117E+01  9.932400E-02 -3.612100E-02  8.568000E-03  1.094000E-02  2.121900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.929726E+01  2.135250E-01 -8.054000E-02  1.934300E-02  2.430100E-02  5.454500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.941959E+01  3.339970E-01 -1.323120E-01  3.156000E-02  4.059400E-02  7.467300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.828899E+00  3.282920E-01 -1.340350E-01  3.305600E-02  4.077300E-02  1.147010E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.016810E+00  1.505820E-01  3.470700E-02 -1.359000E-02 -1.344000E-02 -7.832100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.487091E+00  2.000200E-02  3.356300E-01 -9.400900E-02 -1.211060E-01 -2.465150E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.198780E+00 -1.563000E-03  4.612780E-01 -1.498470E-01 -1.827370E-01 -6.773230E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.586950E-01 -1.291000E-03  2.785730E-01 -6.571600E-02 -1.200720E-01  7.479410E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.093660E-01 -2.120000E-04  4.122100E-02  2.711740E-01  4.449520E-01  9.845060E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.472200E-02  2.400000E-05 -3.800000E-03  5.750590E-01  6.413430E-01 -1.029518E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.327800E-02 -9.000000E-06  1.465000E-03  3.013730E-01  5.792600E-02 -1.109680E-01  1.000000E+00  0.000000E+00  0.000000E+00
 5.271800E+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
 1.208300E+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)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
 8.947450E+01  3.617000E-03 -4.124000E-03  5.953000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.633680E+01  2.553900E-02 -2.909800E-02  4.222700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.534290E+00  9.683400E-02 -1.143160E-01  1.730970E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.821180E+00  2.351220E-01 -2.719580E-01  3.927110E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.571690E+00  3.574460E-01 -3.162730E-01  1.544870E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.264220E-01  3.691600E-01  3.745700E-02 -8.070190E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.330550E-01  2.380780E-01  5.894820E-01  9.440000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 7.630300E-02  5.475200E-02  3.617680E-01  7.044040E-01  1.000000E+00  0.000000E+00  0.000000E+00
 3.409300E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.587400E+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)]
   {exp coef:0 coef:1 coef:2} = {
 4.362900E+00  1.000000E+00  0.000000E+00  0.000000E+00
 1.586400E+00  0.000000E+00  1.000000E+00  0.000000E+00
 5.231000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1} = {
 4.040600E+00  1.000000E+00  0.000000E+00
 1.419900E+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 Triple-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-pwCVTZ-DK": [
  (type: [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} = {
 3.960805E+06  1.350000E-04 -6.500000E-05  1.600000E-05 -4.000000E-06 -7.000000E-06 -1.100000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 5.931155E+05  3.950000E-04 -1.890000E-04  4.600000E-05 -1.000000E-05 -2.100000E-05 -3.400000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.349768E+05  1.096000E-03 -5.250000E-04  1.280000E-04 -2.900000E-05 -5.700000E-05 -9.300000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.823067E+04  2.871000E-03 -1.379000E-03  3.370000E-04 -7.500000E-05 -1.530000E-04 -2.500000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.247154E+04  7.554000E-03 -3.642000E-03  8.910000E-04 -1.990000E-04 -3.900000E-04 -6.340000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.501743E+03  1.997500E-02 -9.711000E-03  2.391000E-03 -5.330000E-04 -1.107000E-03 -1.819000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.755212E+03  5.150800E-02 -2.548900E-02  6.334000E-03 -1.413000E-03 -2.716000E-03 -4.392000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 7.273039E+02  1.210030E-01 -6.225900E-02  1.586600E-02 -3.542000E-03 -7.526000E-03 -1.243000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.163678E+02  2.360360E-01 -1.322860E-01  3.523600E-02 -7.871000E-03 -1.464300E-02 -2.358000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.430098E+02  3.264820E-01 -2.204590E-01  6.454500E-02 -1.446600E-02 -3.243400E-02 -5.430900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 6.621805E+01  2.393020E-01 -2.215130E-01  7.305700E-02 -1.642500E-02 -2.523900E-02 -3.935000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.991896E+01  7.182000E-02  4.933600E-02 -2.573700E-02  5.762000E-03 -8.668000E-03 -2.054400E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.430318E+01  7.595000E-02  5.165030E-01 -3.026850E-01  7.126600E-02  1.951750E-01  3.531150E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.839451E+00  7.503000E-02  4.900740E-01 -4.440650E-01  1.094140E-01  1.474640E-01  2.786720E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.012374E+00  1.183600E-02  8.458600E-02  1.409020E-01 -4.281300E-02  7.037500E-02 -1.195220E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.418808E+00 -3.590000E-04 -6.857000E-03  7.189900E-01 -2.293830E-01 -1.066777E+00 -2.246887E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.236240E-01 -6.200000E-05 -4.660000E-04  3.952070E-01 -2.461200E-01  3.723110E-01  2.702669E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.340980E-01 -1.400000E-05 -5.260000E-04  1.985100E-02  3.096530E-01  1.987207E+00 -5.973580E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.554800E-02  2.600000E-05  4.990000E-04 -7.783000E-03  5.658570E-01 -1.289393E+00 -1.494873E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.958400E-02  0.000000E+00 -8.700000E-05  3.175000E-03  2.782580E-01 -5.130850E-01  1.531065E+00  1.000000E+00  0.000000E+00  0.000000E+00
 4.171400E+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
 1.070100E+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]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7} = {
 1.620586E+04  1.180000E-04 -4.100000E-05 -9.000000E-06  1.300000E-05  2.700000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 3.836274E+03  5.550000E-04 -1.930000E-04 -4.400000E-05  6.000000E-05  1.220000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.246048E+03  2.591000E-03 -9.030000E-04 -2.080000E-04  2.790000E-04  6.140000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.767535E+02  1.029700E-02 -3.614000E-03 -8.320000E-04  1.127000E-03  2.265000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.021895E+02  3.481200E-02 -1.237300E-02 -2.857000E-03  3.818000E-03  8.477000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 9.209487E+01  9.681400E-02 -3.534100E-02 -8.164000E-03  1.106100E-02  2.201900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.414720E+01  2.099030E-01 -7.949900E-02 -1.845500E-02  2.458500E-02  5.578700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.185468E+01  3.319070E-01 -1.321930E-01 -3.077300E-02  4.203300E-02  7.992100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.108596E+01  3.311790E-01 -1.356890E-01 -3.199900E-02  4.181100E-02  1.168920E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.674108E+00  1.557000E-01  3.013300E-02  1.075100E-02 -1.084700E-02 -6.856800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.823170E+00  2.090600E-02  3.310290E-01  9.089400E-02 -1.265590E-01 -2.828210E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.368621E+00 -2.814000E-03  4.567780E-01  1.379450E-01 -1.789830E-01 -6.506830E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.444310E-01 -2.148000E-03  2.859100E-01  7.611200E-02 -1.260670E-01  7.151330E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.483460E-01 -3.790000E-04  4.658300E-02 -2.313460E-01  4.203830E-01  9.592410E-01  0.000000E+00  0.000000E+00  0.000000E+00
 9.717500E-02  3.600000E-05 -3.384000E-03 -5.751700E-01  6.578380E-01 -9.371570E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.656500E-02 -1.400000E-05  1.417000E-03 -3.477560E-01  7.482300E-02 -1.584630E-01  1.000000E+00  0.000000E+00  0.000000E+00
 6.056800E+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
 1.391100E+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)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
 1.019040E+02  3.575000E-03 -3.646000E-03  5.860000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.003370E+01  2.557500E-02 -2.607900E-02  4.214300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.092380E+01  9.774700E-02 -1.024550E-01  1.737480E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.397400E+00  2.370560E-01 -2.488950E-01  3.964200E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.815950E+00  3.579230E-01 -3.018870E-01  1.643200E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.257310E-01  3.658070E-01  8.369000E-03 -7.198750E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.699610E-01  2.362960E-01  5.397650E-01 -1.641420E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.776000E-02  5.835100E-02  4.497430E-01  7.446620E-01  1.000000E+00  0.000000E+00  0.000000E+00
 3.951100E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.848800E+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)]
   {exp coef:0 coef:1 coef:2} = {
 5.154100E+00  1.000000E+00  0.000000E+00  0.000000E+00
 1.904400E+00  0.000000E+00  1.000000E+00  0.000000E+00
 6.438000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1} = {
 4.716300E+00  1.000000E+00  0.000000E+00
 1.702200E+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 Triple-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-pwCVTZ-DK": [
  (type: [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} = {
 4.316265E+06  1.400000E-04 -7.200000E-05  1.700000E-05 -4.000000E-06 -7.000000E-06 -1.200000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 6.463424E+05  4.050000E-04 -2.090000E-04  4.900000E-05 -1.100000E-05 -2.100000E-05 -3.600000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.470897E+05  1.119000E-03 -5.790000E-04  1.350000E-04 -2.900000E-05 -5.800000E-05 -9.900000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 4.166152E+04  2.907000E-03 -1.506000E-03  3.520000E-04 -7.700000E-05 -1.550000E-04 -2.630000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.359077E+04  7.571000E-03 -3.939000E-03  9.230000E-04 -2.010000E-04 -3.930000E-04 -6.640000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.905750E+03  1.981800E-02 -1.039600E-02  2.452000E-03 -5.350000E-04 -1.101000E-03 -1.869000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.912746E+03  5.073400E-02 -2.707400E-02  6.451000E-03 -1.408000E-03 -2.693000E-03 -4.542000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 7.926043E+02  1.187290E-01 -6.577700E-02  1.610600E-02 -3.518000E-03 -7.404000E-03 -1.260100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.448065E+02  2.311640E-01 -1.390820E-01  3.574200E-02 -7.814000E-03 -1.448400E-02 -2.442300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.558999E+02  3.193220E-01 -2.301500E-01  6.552800E-02 -1.437200E-02 -3.185300E-02 -5.465200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 7.223091E+01  2.336480E-01 -2.296630E-01  7.443000E-02 -1.638300E-02 -2.535200E-02 -4.254100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.272506E+01  7.402200E-02  4.609100E-02 -2.571100E-02  5.643000E-03 -7.887000E-03 -1.598900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.566762E+01  9.095200E-02  5.150510E-01 -3.086450E-01  7.122100E-02  1.914700E-01  3.459640E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.503483E+00  8.889800E-02  4.871750E-01 -4.465440E-01  1.078000E-01  1.482420E-01  3.206410E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.312223E+00  1.430200E-02  8.438000E-02  1.489850E-01 -4.426200E-02  5.076100E-02 -2.021250E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.558471E+00 -3.870000E-04 -5.911000E-03  7.203950E-01 -2.259990E-01 -1.012246E+00 -2.160673E+00  0.000000E+00  0.000000E+00  0.000000E+00
 6.839140E-01  8.000000E-06 -4.400000E-05  3.896980E-01 -2.376280E-01  3.423390E-01  2.627486E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.467570E-01 -2.500000E-05 -4.870000E-04  1.918400E-02  2.977800E-01  1.857266E+00 -4.754520E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.058300E-02  3.200000E-05  4.370000E-04 -7.023000E-03  5.654970E-01 -1.063679E+00 -1.566613E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.144900E-02 -1.000000E-06 -8.600000E-05  3.124000E-03  2.879370E-01 -6.168730E-01  1.512776E+00  1.000000E+00  0.000000E+00  0.000000E+00
 4.684400E+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
 1.220400E+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]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7} = {
 1.774569E+04  1.230000E-04 -4.300000E-05  9.000000E-06  1.400000E-05  3.000000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 4.200721E+03  5.660000E-04 -2.000000E-04  4.400000E-05  6.600000E-05  1.340000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.364429E+03  2.608000E-03 -9.230000E-04  2.010000E-04  3.030000E-04  6.590000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 5.220806E+02  1.029500E-02 -3.668000E-03  8.000000E-04  1.219000E-03  2.447000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.214595E+02  3.475100E-02 -1.253900E-02  2.738000E-03  4.120000E-03  9.014000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.009096E+02  9.669000E-02 -3.584800E-02  7.848000E-03  1.195300E-02  2.382300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.840115E+01  2.100300E-01 -8.082200E-02  1.773900E-02  2.662000E-02  5.936400E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.398536E+01  3.324570E-01 -1.346970E-01  2.974900E-02  4.569900E-02  8.758000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.218250E+01  3.307710E-01 -1.369120E-01  3.038900E-02  4.503300E-02  1.222860E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.242298E+00  1.547330E-01  3.371300E-02 -1.076500E-02 -1.301100E-02 -6.811200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.110944E+00  2.096400E-02  3.356700E-01 -8.768900E-02 -1.413750E-01 -3.519070E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.509958E+00 -2.346000E-03  4.554960E-01 -1.284700E-01 -1.941480E-01 -6.237060E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.108450E-01 -1.854000E-03  2.817600E-01 -7.399600E-02 -1.017700E-01  8.414480E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.725980E-01 -3.170000E-04  4.515000E-02  2.154550E-01  4.678640E-01  7.920700E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.039720E-01  3.000000E-05 -3.165000E-03  5.720050E-01  6.242180E-01 -9.175100E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.816600E-02 -1.200000E-05  1.331000E-03  3.680790E-01  5.622500E-02 -1.226150E-01  1.000000E+00  0.000000E+00  0.000000E+00
 6.878800E+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
 1.574800E+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)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
 1.148840E+02  3.532000E-03 -3.896000E-03  5.703000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.388780E+01  2.555000E-02 -2.820700E-02  4.169100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.237300E+01  9.835700E-02 -1.115730E-01  1.720430E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.999250E+00  2.379190E-01 -2.728390E-01  4.086070E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.070430E+00  3.565390E-01 -3.171520E-01  1.195250E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.281830E-01  3.628480E-01  5.206200E-02 -7.660380E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.075470E-01  2.388030E-01  5.612690E-01 -4.308100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.945500E-02  6.190400E-02  3.891550E-01  7.169350E-01  1.000000E+00  0.000000E+00  0.000000E+00
 4.530500E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.120500E+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)]
   {exp coef:0 coef:1 coef:2} = {
 6.006600E+00  1.000000E+00  0.000000E+00  0.000000E+00
 2.252200E+00  0.000000E+00  1.000000E+00  0.000000E+00
 7.758000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1} = {
 5.506800E+00  1.000000E+00  0.000000E+00
 2.051500E+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 Triple-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-pwCVTZ-DK": [
  (type: [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} = {
 4.675675E+06  1.460000E-04 -7.700000E-05  1.800000E-05 -4.000000E-06 -7.000000E-06 -1.300000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 7.001615E+05  4.220000E-04 -2.220000E-04  5.200000E-05 -1.100000E-05 -2.200000E-05 -3.900000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.593373E+05  1.157000E-03 -6.100000E-04  1.420000E-04 -3.000000E-05 -5.900000E-05 -1.060000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.513046E+04  2.982000E-03 -1.576000E-03  3.670000E-04 -7.800000E-05 -1.550000E-04 -2.790000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.472238E+04  7.695000E-03 -4.085000E-03  9.540000E-04 -2.040000E-04 -3.910000E-04 -7.010000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 5.314222E+03  1.995300E-02 -1.067800E-02  2.512000E-03 -5.360000E-04 -1.081000E-03 -1.942000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.072018E+03  5.071700E-02 -2.761300E-02  6.564000E-03 -1.402000E-03 -2.638000E-03 -4.723000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 8.586188E+02  1.182300E-01 -6.681600E-02  1.633100E-02 -3.490000E-03 -7.186000E-03 -1.294000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.735497E+02  2.298040E-01 -1.409790E-01  3.618600E-02 -7.740000E-03 -1.414100E-02 -2.534300E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.689229E+02  3.172830E-01 -2.329210E-01  6.635200E-02 -1.424000E-02 -3.080100E-02 -5.581900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 7.829639E+01  2.323250E-01 -2.320460E-01  7.534300E-02 -1.622700E-02 -2.503000E-02 -4.496600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.552123E+01  7.486300E-02  4.655300E-02 -2.648700E-02  5.692000E-03 -6.499000E-03 -1.330600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.704144E+01  9.464900E-02  5.169650E-01 -3.148050E-01  7.113600E-02  1.848310E-01  3.496310E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.173000E+00  9.162500E-02  4.848400E-01 -4.467120E-01  1.054210E-01  1.464850E-01  3.478650E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.610318E+00  1.466000E-02  8.328900E-02  1.601200E-01 -4.618700E-02  3.025500E-02 -2.728950E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.697047E+00 -4.140000E-04 -5.811000E-03  7.213240E-01 -2.220020E-01 -9.422380E-01 -2.093243E+00  0.000000E+00  0.000000E+00  0.000000E+00
 7.435320E-01  5.000000E-06 -5.400000E-05  3.823570E-01 -2.286240E-01  3.006350E-01  2.571184E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.583440E-01 -2.800000E-05 -4.680000E-04  1.818800E-02  2.913320E-01  1.741418E+00 -3.869540E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.503600E-02  2.900000E-05  3.890000E-04 -6.415000E-03  5.630580E-01 -8.549780E-01 -1.589674E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.309100E-02 -3.000000E-06 -8.900000E-05  2.987000E-03  2.942770E-01 -7.178920E-01  1.471871E+00  1.000000E+00  0.000000E+00  0.000000E+00
 5.225500E+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
 1.363800E+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]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7} = {
 1.926778E+04  1.300000E-04 -4.600000E-05 -1.000000E-05  1.600000E-05  3.300000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 4.560986E+03  5.820000E-04 -2.080000E-04 -4.600000E-05  7.200000E-05  1.460000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.481436E+03  2.648000E-03 -9.470000E-04 -2.090000E-04  3.260000E-04  6.970000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 5.668671E+02  1.038100E-02 -3.738000E-03 -8.250000E-04  1.298000E-03  2.605000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.404910E+02  3.496300E-02 -1.275000E-02 -2.817000E-03  4.392000E-03  9.450000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.096105E+02  9.722900E-02 -3.644700E-02 -8.068000E-03  1.270000E-02  2.535600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.259491E+01  2.112480E-01 -8.223500E-02 -1.826800E-02  2.842400E-02  6.212200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.608361E+01  3.338520E-01 -1.369990E-01 -3.058600E-02  4.853300E-02  9.393800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.326143E+01  3.297510E-01 -1.371210E-01 -3.088300E-02  4.775200E-02  1.254080E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.799778E+00  1.522940E-01  3.932100E-02  1.230300E-02 -1.665200E-02 -6.925600E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.393414E+00  2.026500E-02  3.412260E-01  9.043100E-02 -1.536670E-01 -4.148930E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.648766E+00 -2.285000E-03  4.536340E-01  1.308200E-01 -2.056630E-01 -5.713060E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.762820E-01 -1.811000E-03  2.761140E-01  6.921100E-02 -7.218000E-02  9.059860E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.972090E-01 -2.960000E-04  4.366500E-02 -2.248820E-01  4.831410E-01  6.871310E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.133520E-01  2.800000E-05 -3.070000E-03 -5.696560E-01  5.994720E-01 -8.901150E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.151000E-02 -1.100000E-05  1.292000E-03 -3.618730E-01  5.600000E-02 -1.180650E-01  1.000000E+00  0.000000E+00  0.000000E+00
 7.741100E+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
 1.767200E+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)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
 1.283920E+02  3.505000E-03 -4.065000E-03  5.472000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.789380E+01  2.558300E-02 -2.972900E-02  4.045500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.387980E+01  9.908400E-02 -1.184660E-01  1.672810E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.625440E+00  2.391390E-01 -2.897200E-01  4.079820E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.335390E+00  3.561510E-01 -3.203480E-01  9.378000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.351920E-01  3.604140E-01  8.568000E-02 -7.662770E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.469530E-01  2.392120E-01  5.591230E-01 -8.306000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.117230E-01  6.416100E-02  3.634010E-01  7.214190E-01  1.000000E+00  0.000000E+00  0.000000E+00
 5.138400E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.405600E+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)]
   {exp coef:0 coef:1 coef:2} = {
 6.924000E+00  1.000000E+00  0.000000E+00  0.000000E+00
 2.624400E+00  0.000000E+00  1.000000E+00  0.000000E+00
 9.170000E-01  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1} = {
 6.324800E+00  1.000000E+00  0.000000E+00
 2.422900E+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 Triple-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-pwCVTZ-DK": [
  (type: [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} = {
 5.045991E+06  1.570000E-04 -7.100000E-05  1.900000E-05 -4.000000E-06 -8.000000E-06 -1.400000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 7.556142E+05  4.530000E-04 -2.060000E-04  5.400000E-05 -1.100000E-05 -2.300000E-05 -4.100000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.719568E+05  1.237000E-03 -5.620000E-04  1.480000E-04 -3.100000E-05 -6.200000E-05 -1.120000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 4.870479E+04  3.165000E-03 -1.442000E-03  3.810000E-04 -8.100000E-05 -1.630000E-04 -2.930000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.588841E+04  8.095000E-03 -3.706000E-03  9.810000E-04 -2.080000E-04 -4.080000E-04 -7.340000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 5.735123E+03  2.080400E-02 -9.611000E-03  2.559000E-03 -5.430000E-04 -1.112000E-03 -1.996000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.236137E+03  5.253400E-02 -2.473600E-02  6.641000E-03 -1.408000E-03 -2.709000E-03 -4.885000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 9.266468E+02  1.221290E-01 -5.990300E-02  1.646000E-02 -3.493000E-03 -7.309000E-03 -1.310800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.031743E+02  2.376390E-01 -1.273860E-01  3.641900E-02 -7.733000E-03 -1.446500E-02 -2.622200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.823476E+02  3.303120E-01 -2.141810E-01  6.673200E-02 -1.422300E-02 -3.118200E-02 -5.595200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 8.454885E+01  2.459140E-01 -2.183240E-01  7.573900E-02 -1.618100E-02 -2.583500E-02 -4.809800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.839634E+01  7.227600E-02  5.259800E-02 -2.751000E-02  5.841000E-03 -5.347000E-03 -7.457000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.845859E+01  6.351200E-02  5.249320E-01 -3.190460E-01  7.157900E-02  1.860150E-01  3.403920E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.863548E+00  6.188400E-02  4.880070E-01 -4.449190E-01  1.037370E-01  1.546580E-01  3.967560E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.916227E+00  9.400000E-03  8.248400E-02  1.724220E-01 -4.831500E-02  1.149700E-02 -3.814920E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.838870E+00 -2.190000E-04 -6.795000E-03  7.155720E-01 -2.193040E-01 -9.445660E-01 -1.991380E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.043620E-01 -7.900000E-05 -6.430000E-04  3.791720E-01 -2.208170E-01  3.343100E-01  2.535279E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.697970E-01 -5.000000E-06 -4.920000E-04  1.993600E-02  2.869700E-01  1.641871E+00 -4.325800E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.930600E-02  3.000000E-06  3.540000E-04 -7.476000E-03  5.599800E-01 -7.399980E-01 -1.486952E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.467700E-02  0.000000E+00 -1.060000E-04  3.271000E-03  2.994010E-01 -7.532470E-01  1.411511E+00  1.000000E+00  0.000000E+00  0.000000E+00
 5.833000E+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
 1.523100E+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]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7} = {
 2.102792E+04  1.350000E-04 -4.800000E-05  1.000000E-05  2.000000E-05  3.600000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 4.977560E+03  5.920000E-04 -2.120000E-04  4.300000E-05  8.800000E-05  1.550000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.616740E+03  2.656000E-03 -9.520000E-04  1.930000E-04  3.950000E-04  7.280000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 6.186718E+02  1.033700E-02 -3.733000E-03  7.600000E-04  1.556000E-03  2.725000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.625183E+02  3.475200E-02 -1.270700E-02  2.582000E-03  5.282000E-03  9.781000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.196907E+02  9.670400E-02 -3.637100E-02  7.428000E-03  1.521300E-02  2.654700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 5.746585E+01  2.106590E-01 -8.228200E-02  1.679800E-02  3.437300E-02  6.444400E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.852829E+01  3.338280E-01 -1.376490E-01  2.839500E-02  5.843400E-02  9.947100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.452148E+01  3.302200E-01 -1.371660E-01  2.816200E-02  5.896900E-02  1.302080E-01  0.000000E+00  0.000000E+00  0.000000E+00
 7.453850E+00  1.528010E-01  4.028700E-02 -1.114600E-02 -2.293700E-02 -7.070700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.723553E+00  2.014900E-02  3.422120E-01 -8.334900E-02 -1.978840E-01 -4.819430E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.809813E+00 -2.709000E-03  4.496570E-01 -1.160880E-01 -2.473250E-01 -5.056470E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.513360E-01 -2.110000E-03  2.777700E-01 -7.006000E-02  9.569000E-03  1.001649E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.234058E-01 -3.520000E-04  4.641500E-02  1.995030E-01  5.450030E-01  4.887760E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.190210E-01  3.600000E-05 -2.949000E-03  5.660100E-01  5.235180E-01 -8.793020E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.216200E-02 -1.200000E-05  1.292000E-03  3.926790E-01  3.570300E-02 -8.929800E-02  1.000000E+00  0.000000E+00  0.000000E+00
 8.740900E+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
 2.007300E+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)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
 1.425904E+02  3.389000E-03 -3.527000E-03  5.076000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 4.210219E+01  2.492800E-02 -2.594700E-02  3.785700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.546337E+01  9.705600E-02 -1.036600E-01  1.549620E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.283810E+00  2.338120E-01 -2.523870E-01  3.852530E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.614170E+00  3.466580E-01 -2.967270E-01  1.775600E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.048020E+00  3.517990E-01 -5.790000E-04 -6.259900E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.886520E-01  2.521850E-01  4.403890E-01 -3.418510E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.246640E-01  1.015510E-01  5.415980E-01  7.912730E-01  1.000000E+00  0.000000E+00  0.000000E+00
 5.776700E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.695600E+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)]
   {exp coef:0 coef:1 coef:2} = {
 7.916400E+00  1.000000E+00  0.000000E+00  0.000000E+00
 3.023500E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.068000E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1} = {
 7.301700E+00  1.000000E+00  0.000000E+00
 2.928400E+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 Triple-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-pwCVTZ-DK": [
  (type: [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} = {
 5.430321E+06  1.580000E-04 -8.900000E-05  2.000000E-05 -4.000000E-06 -8.000000E-06 -1.500000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 8.131665E+05  4.520000E-04 -2.550000E-04  5.700000E-05 -1.200000E-05 -2.200000E-05 -4.400000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.850544E+05  1.229000E-03 -6.940000E-04  1.560000E-04 -3.200000E-05 -5.900000E-05 -1.200000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 5.241466E+04  3.120000E-03 -1.766000E-03  3.990000E-04 -8.200000E-05 -1.520000E-04 -3.110000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.709868E+04  7.912000E-03 -4.498000E-03  1.019000E-03 -2.080000E-04 -3.780000E-04 -7.720000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 6.171994E+03  2.014200E-02 -1.154500E-02  2.636000E-03 -5.390000E-04 -1.018000E-03 -2.089000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.406481E+03  5.046200E-02 -2.941800E-02  6.792000E-03 -1.388000E-03 -2.473000E-03 -5.051000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 9.972584E+02  1.166160E-01 -7.051700E-02  1.677200E-02 -3.430000E-03 -6.614000E-03 -1.359900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.339289E+02  2.255430E-01 -1.477880E-01  3.702400E-02 -7.579000E-03 -1.315200E-02 -2.687500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.962869E+02  3.101520E-01 -2.423800E-01  6.783200E-02 -1.393400E-02 -2.808300E-02 -5.813800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.104280E+01  2.261390E-01 -2.390600E-01  7.676800E-02 -1.582500E-02 -2.366100E-02 -4.833100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.138425E+01  7.699200E-02  4.769300E-02 -2.858800E-02  5.891000E-03 -3.658000E-03 -9.916000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.993278E+01  1.087550E-01  5.194670E-01 -3.262330E-01  7.064800E-02  1.674510E-01  3.623720E-01  0.000000E+00  0.000000E+00  0.000000E+00
 9.581891E+00  1.029690E-01  4.781070E-01 -4.451460E-01  1.003460E-01  1.378490E-01  3.778960E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.234516E+00  1.629900E-02  8.055800E-02  1.815320E-01 -4.946100E-02  1.695000E-03 -3.717270E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.985814E+00 -5.390000E-04 -5.628000E-03  7.219160E-01 -2.136180E-01 -7.988610E-01 -1.991129E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.670830E-01 -2.000000E-06 -7.200000E-05  3.686320E-01 -2.122030E-01  2.036390E-01  2.468236E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.813390E-01 -3.800000E-05 -4.330000E-04  1.639500E-02  2.812990E-01  1.549691E+00 -2.144460E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.365700E-02  2.600000E-05  3.080000E-04 -5.526000E-03  5.560680E-01 -4.950240E-01 -1.634714E+00  0.000000E+00  0.000000E+00  0.000000E+00
 3.626700E-02 -9.000000E-06 -9.900000E-05  2.700000E-03  3.067010E-01 -8.961200E-01  1.393820E+00  1.000000E+00  0.000000E+00  0.000000E+00
 6.424600E+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
 1.653700E+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]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7} = {
 2.276057E+04  1.410000E-04 -5.100000E-05  1.000000E-05  1.900000E-05  3.900000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 5.387679E+03  6.050000E-04 -2.200000E-04  4.300000E-05  8.300000E-05  1.630000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.749945E+03  2.684000E-03 -9.770000E-04  1.900000E-04  3.680000E-04  7.550000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 6.696653E+02  1.037000E-02 -3.803000E-03  7.430000E-04  1.447000E-03  2.793000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.841948E+02  3.477600E-02 -1.291600E-02  2.515000E-03  4.866000E-03  1.004800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.296077E+02  9.672600E-02 -3.695200E-02  7.246000E-03  1.412100E-02  2.711500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 6.225415E+01  2.108770E-01 -8.370900E-02  1.637500E-02  3.164000E-02  6.632000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.092964E+01  3.341900E-01 -1.400770E-01  2.778100E-02  5.456700E-02  1.015580E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.575827E+01  3.295570E-01 -1.384230E-01  2.712000E-02  5.304500E-02  1.351580E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.094211E+00  1.519250E-01  4.348600E-02 -1.122600E-02 -1.994600E-02 -7.788100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.046921E+00  2.050700E-02  3.460780E-01 -8.147400E-02 -1.835090E-01 -4.991720E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.967869E+00 -1.966000E-03  4.512300E-01 -1.106180E-01 -2.173260E-01 -4.817090E-01  0.000000E+00  0.000000E+00  0.000000E+00
 9.252950E-01 -1.631000E-03  2.726370E-01 -6.866900E-02 -2.821700E-02  9.798640E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.510930E-01 -2.570000E-04  4.246400E-02  1.921350E-01  5.289300E-01  5.025340E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.267990E-01  2.500000E-05 -2.769000E-03  5.631450E-01  5.575620E-01 -8.457230E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.416200E-02 -9.000000E-06  1.137000E-03  4.044540E-01  3.662600E-02 -9.305500E-02  1.000000E+00  0.000000E+00  0.000000E+00
 9.754700E+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
 2.209600E+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)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
 1.776850E+02  2.709000E-03 -3.377000E-03  4.166000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 5.254040E+01  2.068500E-02 -2.581900E-02  3.287500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.947690E+01  8.362600E-02 -1.072400E-01  1.373620E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.001460E+00  2.129230E-01 -2.805410E-01  3.890960E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.398920E+00  3.355660E-01 -3.487320E-01  1.757660E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.405380E+00  3.581080E-01  2.160900E-02 -6.834990E-01  0.000000E+00  0.000000E+00  0.000000E+00
 5.453300E-01  2.664410E-01  4.916130E-01 -2.673480E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.881100E-01  1.059690E-01  4.408030E-01  8.351650E-01  1.000000E+00  0.000000E+00  0.000000E+00
 6.965500E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 3.340100E+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)]
   {exp coef:0 coef:1 coef:2} = {
 9.161800E+00  1.000000E+00  0.000000E+00  0.000000E+00
 3.511800E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.259400E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1} = {
 8.271500E+00  1.000000E+00  0.000000E+00
 3.409700E+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 Triple-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-pwCVTZ-DK": [
  (type: [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} = {
 5.820021E+06  1.810000E-04 -5.700000E-05  2.200000E-05  4.000000E-06 -1.200000E-05  1.700000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 8.715234E+05  5.170000E-04 -1.630000E-04  6.200000E-05  1.300000E-05 -3.400000E-05  4.900000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 1.983350E+05  1.398000E-03 -4.420000E-04  1.680000E-04  3.400000E-05 -9.200000E-05  1.340000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 5.617631E+04  3.527000E-03 -1.119000E-03  4.250000E-04  8.600000E-05 -2.360000E-04  3.390000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.832582E+04  8.875000E-03 -2.835000E-03  1.075000E-03  2.180000E-04 -5.790000E-04  8.570000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 6.614955E+03  2.241900E-02 -7.251000E-03  2.759000E-03  5.590000E-04 -1.567000E-03  2.209000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 2.579199E+03  5.587300E-02 -1.853100E-02  7.058000E-03  1.429000E-03 -3.711000E-03  5.623000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 1.068849E+03  1.290790E-01 -4.514100E-02  1.735900E-02  3.527000E-03 -1.013700E-02  1.396900E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.651045E+02  2.514150E-01 -9.830600E-02  3.819600E-02  7.743000E-03 -1.944100E-02  3.058800E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.104130E+02  3.533410E-01 -1.733870E-01  6.986600E-02  1.430600E-02 -4.350900E-02  5.733000E-02  0.000000E+00  0.000000E+00  0.000000E+00
 9.761629E+01  2.703150E-01 -1.868340E-01  7.856900E-02  1.600200E-02 -3.289700E-02  6.393100E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.438020E+01  6.522200E-02  6.522900E-02 -3.047700E-02 -5.993000E-03 -1.165400E-02 -2.049200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.142308E+01 -1.233000E-03  5.320160E-01 -3.364460E-01 -7.373400E-02  2.749530E-01 -3.330400E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.030891E+01  1.795000E-03  4.835280E-01 -4.468440E-01 -9.999000E-02  1.925200E-01 -5.856710E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.553645E+00 -8.220000E-04  8.157300E-02  1.925050E-01  5.031900E-02 -3.356800E-02  1.001728E+00  0.000000E+00  0.000000E+00  0.000000E+00
 2.132821E+00  3.480000E-04 -1.695000E-03  7.303950E-01  2.265840E-01 -1.373744E+00  1.420971E+00  0.000000E+00  0.000000E+00  0.000000E+00
 9.296970E-01 -1.310000E-04  1.829000E-03  3.557030E-01  2.085750E-01  8.944720E-01 -2.730899E+00  0.000000E+00  0.000000E+00  0.000000E+00
 1.921470E-01  4.400000E-05 -3.330000E-04  1.169800E-02 -3.426590E-01  1.652740E+00  2.187182E+00  0.000000E+00  0.000000E+00  0.000000E+00
 8.759500E-02 -3.400000E-05  2.590000E-04 -5.135000E-03 -5.537360E-01 -1.422437E+00 -7.685880E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.770200E-02  1.100000E-05 -8.200000E-05  1.319000E-03 -2.538460E-01 -1.849890E-01 -5.271990E-01  1.000000E+00  0.000000E+00  0.000000E+00
 7.155600E+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
 1.822900E+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]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5 coef:6 coef:7} = {
 2.441198E+04  1.480000E-04 -5.600000E-05  1.000000E-05  1.800000E-05  4.100000E-05  0.000000E+00  0.000000E+00  0.000000E+00
 5.778518E+03  6.240000E-04 -2.340000E-04  4.300000E-05  7.500000E-05  1.670000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 1.876862E+03  2.734000E-03 -1.030000E-03  1.900000E-04  3.250000E-04  7.710000E-04  0.000000E+00  0.000000E+00  0.000000E+00
 7.182361E+02  1.048400E-02 -3.978000E-03  7.360000E-04  1.280000E-03  2.818000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 3.048327E+02  3.505300E-02 -1.347200E-02  2.484000E-03  4.243000E-03  1.017700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 1.390453E+02  9.733000E-02 -3.846600E-02  7.154000E-03  1.244600E-02  2.719700E-02  0.000000E+00  0.000000E+00  0.000000E+00
 6.680417E+01  2.119030E-01 -8.702400E-02  1.613800E-02  2.746400E-02  6.711500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 3.320699E+01  3.346760E-01 -1.450960E-01  2.735100E-02  4.819100E-02  1.011510E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.692816E+01  3.270750E-01 -1.409790E-01  2.612600E-02  4.394600E-02  1.367580E-01  0.000000E+00  0.000000E+00  0.000000E+00
 8.696229E+00  1.493830E-01  4.872900E-02 -1.204900E-02 -1.632500E-02 -8.799500E-02  0.000000E+00  0.000000E+00  0.000000E+00
 4.350510E+00  2.238700E-02  3.525240E-01 -8.031200E-02 -1.593140E-01 -4.887840E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.116523E+00  1.556000E-03  4.523900E-01 -1.062960E-01 -1.756920E-01 -4.709370E-01  0.000000E+00  0.000000E+00  0.000000E+00
 9.953870E-01  4.640000E-04  2.638190E-01 -6.556100E-02 -7.478100E-02  9.185580E-01  0.000000E+00  0.000000E+00  0.000000E+00
 3.756390E-01  6.300000E-05  3.756800E-02  1.890660E-01  4.845400E-01  5.839990E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.338850E-01 -1.000000E-06 -2.473000E-03  5.603730E-01  6.147430E-01 -8.293170E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.602300E-02  0.000000E+00  1.002000E-03  4.113870E-01  4.292100E-02 -9.212300E-02  1.000000E+00  0.000000E+00  0.000000E+00
 1.026250E+01  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 2.353800E+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)]
   {exp coef:0 coef:1 coef:2 coef:3 coef:4 coef:5} = {
 2.109473E+02  2.353000E-03  3.289000E-03  3.791000E-03  0.000000E+00  0.000000E+00  0.000000E+00
 6.239151E+01  1.838400E-02  2.582700E-02  3.163200E-02  0.000000E+00  0.000000E+00  0.000000E+00
 2.326482E+01  7.627300E-02  1.099330E-01  1.315250E-01  0.000000E+00  0.000000E+00  0.000000E+00
 9.623342E+00  2.008410E-01  3.017170E-01  4.230030E-01  0.000000E+00  0.000000E+00  0.000000E+00
 4.139418E+00  3.289980E-01  3.873400E-01  1.330790E-01  0.000000E+00  0.000000E+00  0.000000E+00
 1.744079E+00  3.618560E-01 -5.039100E-02 -7.721180E-01  0.000000E+00  0.000000E+00  0.000000E+00
 6.953250E-01  2.736090E-01 -5.385100E-01 -1.077820E-01  0.000000E+00  0.000000E+00  0.000000E+00
 2.487240E-01  1.071070E-01 -3.501940E-01  8.015440E-01  1.000000E+00  0.000000E+00  0.000000E+00
 7.747500E+00  0.000000E+00  0.000000E+00  0.000000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 3.943800E+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)]
   {exp coef:0 coef:1 coef:2} = {
 1.025930E+01  1.000000E+00  0.000000E+00  0.000000E+00
 3.981000E+00  0.000000E+00  1.000000E+00  0.000000E+00
 1.461500E+00  0.000000E+00  0.000000E+00  1.000000E+00
   })
  (type: [(am = g puream = 1) (am = g puream = 1)]
   {exp coef:0 coef:1} = {
 9.247600E+00  1.000000E+00  0.000000E+00
 4.024300E+00  0.000000E+00  1.000000E+00
   })
 ]
)
mpqc3-data 0.0~git20160216-1 / usr / share / mpqc / 3.0.0-alpha / basis / cc-pwcvtz-dk.kv
