************************************************************************
* This file is part of OpenMolcas.                                     *
*                                                                      *
* OpenMolcas is free software; you can redistribute it and/or modify   *
* it under the terms of the GNU Lesser General Public License, v. 2.1. *
* OpenMolcas is distributed in the hope that it will be useful, but it *
* is provided "as is" and without any express or implied warranties.   *
* For more details see the full text of the license in the file        *
* LICENSE or in <http://www.gnu.org/licenses/>.                        *
************************************************************************

/O.NB.cc-pVDZ.9s4p1d.3s2p1d
T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
O        (9s,4p,1d) -> [3s,2p,1d]

          8.000000   2
* S-type functions
    9    3
          11720.0000000        
           1759.0000000        
            400.8000000        
            113.7000000        
             37.0300000        
             13.2700000        
              5.0250000        
              1.0130000        
              0.3023000        
      0.0007100             -0.0001600              0.0000000        
      0.0054700             -0.0012630              0.0000000        
      0.0278370             -0.0062670              0.0000000        
      0.1048000             -0.0257160              0.0000000        
      0.2830620             -0.0709240              0.0000000        
      0.4487190             -0.1654110              0.0000000        
      0.2709520             -0.1169550              0.0000000        
      0.0154580              0.5573680              0.0000000        
     -0.0025850              0.5727590              1.0000000        
* P-type functions
    4    2
             17.7000000        
              3.8540000        
              1.0460000        
              0.2753000        
      0.0430180              0.0000000        
      0.2289130              0.0000000        
      0.5087280              0.0000000        
      0.4605310              1.0000000        
* D-type functions
    1    1
              1.1850000        
      1.0000000

/Cu.NB.cc-pVDZ.20s16p8d2f.6s5p3d1f
J. Chem. Phys. 123, 064107 (2005), J. Chem. Phys. 125, 074110 (2006)
CU       (20s,16p,8d,2f) -> [6s,5p,3d,1f]
          29.000000   3
* S-type functions
    20    6
              5.430321D+06     
              8.131665D+05     
              1.850544D+05     
              5.241466D+04     
              1.709868D+04     
              6.171994D+03     
              2.406481D+03     
              9.972584D+02     
              4.339289D+02     
              1.962869D+02     
              9.104280D+01     
              4.138425D+01     
              1.993278D+01     
              9.581891D+00     
              4.234516D+00     
              1.985814D+00     
              8.670830D-01     
              1.813390D-01     
              8.365700D-02     
              3.626700D-02     
      7.801026D-06          -4.404706D-06           9.704682D-07          -1.959354D-07          -3.532229D-07           0.000000D+00     
      6.065666D-05          -3.424801D-05           7.549245D-06          -1.523472D-06          -2.798812D-06           0.000000D+00     
      3.188964D-04          -1.801238D-04           3.968892D-05          -8.014808D-06          -1.432517D-05           0.000000D+00     
      1.344687D-03          -7.600455D-04           1.677200D-04          -3.383992D-05          -6.270946D-05           0.000000D+00     
      4.869050D-03          -2.759348D-03           6.095101D-04          -1.231191D-04          -2.179490D-04           0.000000D+00     
      1.561013D-02          -8.900970D-03           1.978846D-03          -3.992085D-04          -7.474316D-04           0.000000D+00     
      4.452077D-02          -2.579378D-02           5.798049D-03          -1.171900D-03          -2.049271D-03           0.000000D+00     
      1.103111D-01          -6.623861D-02           1.534158D-02          -3.096141D-03          -5.885203D-03           0.000000D+00     
      2.220342D-01          -1.445927D-01           3.540484D-02          -7.171993D-03          -1.226885D-02           0.000000D+00     
      3.133739D-01          -2.440110D-01           6.702098D-02          -1.356621D-02          -2.683147D-02           0.000000D+00     
      2.315121D-01          -2.504837D-01           8.026945D-02          -1.643989D-02          -2.479261D-02           0.000000D+00     
      7.640920D-02           2.852577D-02          -1.927231D-02           4.107628D-03          -5.984746D-03           0.000000D+00     
      1.103818D-01           5.115874D-01          -3.160129D-01           6.693964D-02           1.557124D-01           0.000000D+00     
      1.094372D-01           4.928061D-01          -4.573162D-01           1.028221D-01           1.436683D-01           0.000000D+00     
      1.836311D-02           8.788437D-02           1.550841D-01          -4.422945D-02           8.374103D-03           0.000000D+00     
     -6.043084D-04          -5.820281D-03           7.202872D-01          -2.031191D-01          -7.460711D-01           0.000000D+00     
      5.092245D-05           2.013508D-04           3.885122D-01          -2.230022D-01           1.244367D-01           0.000000D+00     
     -5.540730D-05          -5.182553D-04           1.924326D-02           2.517975D-01           1.510110D+00           0.000000D+00     
      3.969482D-05           3.731503D-04          -7.103807D-03           5.650091D-01          -3.477122D-01           0.000000D+00     
     -1.269538D-05          -1.193171D-04           3.272906D-03           3.247243D-01          -9.774169D-01           1.000000D+00     
* P-type functions
    16    5
              2.276057D+04     
              5.387679D+03     
              1.749945D+03     
              6.696653D+02     
              2.841948D+02     
              1.296077D+02     
              6.225415D+01     
              3.092964D+01     
              1.575827D+01     
              8.094211D+00     
              4.046921D+00     
              1.967869D+00     
              9.252950D-01     
              3.529920D-01     
              1.273070D-01     
              4.435600D-02     
      4.000000D-05          -1.500000D-05           3.000000D-06           5.000000D-06           0.000000D+00     
      3.610000D-04          -1.310000D-04           2.500000D-05           4.900000D-05           0.000000D+00     
      2.083000D-03          -7.550000D-04           1.470000D-04           2.780000D-04           0.000000D+00     
      9.197000D-03          -3.359000D-03           6.560000D-04           1.253000D-03           0.000000D+00     
      3.266000D-02          -1.208100D-02           2.351000D-03           4.447000D-03           0.000000D+00     
      9.379500D-02          -3.570300D-02           7.004000D-03           1.337000D-02           0.000000D+00     
      2.082740D-01          -8.250200D-02           1.613100D-02           3.046900D-02           0.000000D+00     
      3.339930D-01          -1.398900D-01           2.777000D-02           5.344700D-02           0.000000D+00     
      3.324930D-01          -1.407290D-01           2.756700D-02           5.263900D-02           0.000000D+00     
      1.547280D-01           3.876600D-02          -1.011500D-02          -1.688100D-02           0.000000D+00     
      2.127100D-02           3.426950D-01          -8.100900D-02          -1.794480D-01           0.000000D+00     
     -1.690000D-03           4.523100D-01          -1.104090D-01          -2.095880D-01           0.000000D+00     
     -1.516000D-03           2.770540D-01          -7.173200D-02          -3.963300D-02           0.000000D+00     
     -2.420000D-04           4.388500D-02           1.879300D-01           5.021300D-01           0.000000D+00     
      2.300000D-05          -2.802000D-03           5.646290D-01           5.811110D-01           0.000000D+00     
     -9.000000D-06           1.152000D-03           4.070000D-01           4.566600D-02           1.000000D+00     
* D-type functions
    8    3
              1.738970D+02     
              5.188690D+01     
              1.934190D+01     
              7.975720D+00     
              3.398230D+00     
              1.409320D+00     
              5.488580D-01     
              1.901990D-01     
      2.700000D-03          -3.363000D-03           0.000000D+00     
      2.090900D-02          -2.607900D-02           0.000000D+00     
      8.440800D-02          -1.082310D-01           0.000000D+00     
      2.139990D-01          -2.822170D-01           0.000000D+00     
      3.359800D-01          -3.471900D-01           0.000000D+00     
      3.573010D-01           2.671100D-02           0.000000D+00     
      2.645780D-01           4.920470D-01           0.000000D+00     
      1.039720D-01           4.384220D-01           1.000000D+00     
* F-type functions
    2    1
              5.028600D+00     
              1.259400D+00     
      4.242800D-01     
      7.630250D-01
*
***************************************
*
/Zn.NB.ECP.8s.1s.0e
Relativistic ECP for Cu(2+) Herman Stoll, private communication
ZN       (8s) -> [1s]
           2.0   0
* one s function from Cu ECP basis set
  8  1
                0.56008800E+03
                0.56648600E+02
                0.35425800E+02
                0.11054600E+02
                0.23068200E+01
                0.95142900E+00
                0.14518400E+00
                0.50325000E-01
     -0.33300000E-03
      0.59300000E-02
     -0.32549000E-01
      0.21107100E+00
     -0.73055600E+00
      0.17724200E+00
      0.17148730E+01
     -0.16045730E+01
PP,Zn,28,3;
1;
2,1.0,0.0;
2;
1,1.20,2.0;
3,1.20,2.40;
2;
1,1.38,2.0;
3,1.38,2.76;
2;
1,0.72,2.;
3,0.72,1.44;
*
Spectral Representation Operator
End of Spectral Representation Operator
***************************************
*
/Sr.NB.ECP.4s.1s.0e
Pseudopotential ECP36SDF for Sr J. Phys. B 18, 1287 (1985).
SR       (4s) -> [1s]
          2.000000   0
*  ECP36SDF_GUESS: Startorbitale fuer ECP36SDF mit Basis ECP36SDF
    4    1
    0.79174
    0.316178
    0.066565
    0.02699
      0.083513469
     -0.42923603
      0.5239681
      0.67373304
PP,Sr,36,3;
1;
2,1.000000,0.000000;
1;
2,0.796200,15.387000;
1;
2,0.421200,5.077000;
1;
2,0.492700,-2.248000;
*
Spectral Representation Operator
End of Spectral Representation Operator
*
***************************************
*
***************************************
*
/Zn.NB.ECP.8s7p6d1f.4s4p3d1f.19e
cc-pVDZ-PP COPPER K.A. Peterson and C. Puzzarini, Theor. Chem. Acc., 114, 283 (2005)
ZN       (8s,7p,6d,1f) -> [4s,4p,3d,1f]
           20.0   3
* S-type functions
    8    4
            560.0880000        
             56.6486000        
             35.4258000        
             11.0546000        
              2.3068200        
              0.9514290        
              0.1451840        
              0.0503250        
      0.0006370             -0.0001360             -0.0003330              0.0000000        
     -0.0097350              0.0014010              0.0059300              0.0000000        
      0.0657930             -0.0131740             -0.0325490              0.0000000        
     -0.4150350              0.0956950              0.2110710              0.0000000        
      0.7466110             -0.2118740             -0.7305560              0.0000000        
      0.4621730             -0.2359440              0.1772420              0.0000000        
      0.0159830              0.5081150              1.7148730              0.0000000        
     -0.0027670              0.6215190             -1.6045730              1.0000000        
* P-type functions
    7    4
             70.9739000        
             17.8510000        
              4.2467900        
              1.8776000        
              0.7933350        
              0.1934760        
              0.0573930        
      0.0036820             -0.0006280             -0.0009100              0.0000000        
     -0.0821280              0.0165630              0.0299140              0.0000000        
      0.3753790             -0.0845720             -0.1660940              0.0000000        
      0.5084090             -0.1412830             -0.2780000              0.0000000        
      0.2390950             -0.0035710              0.1575840              0.0000000        
      0.0158500              0.5190050              0.8304880              0.0000000        
     -0.0025270              0.5924750              0.1658690              1.0000000        
* D-type functions
    6    3
             60.3804000        
             19.1121000        
              6.9528800        
              2.6099400        
              0.9225670        
              0.2836420        
      0.0175640             -0.0222860              0.0000000        
      0.0991340             -0.1282740              0.0000000        
      0.2711710             -0.3627970              0.0000000        
      0.4061800             -0.3257220              0.0000000        
      0.3814270              0.3270870              0.0000000        
      0.2006260              0.6568090              1.0000000        
* F-type functions
    1    1
              2.7482000        
      1.0000000        
* D. Figgen, G. Rauhut, M. Dolg, H. Stoll, Chem. Phys. 311, 227 (2005)
PP,Zn,10,4; *,3;
1; 
2,1.000000,0.000000; 
2; 
2,30.110543,355.750512; 
2,13.076310,70.930906; 
4; 
2,32.692614,77.969931; 
2,32.770339,155.927448; 
2,13.751067,18.021132; 
2,13.322166,36.094372; 
4; 
2,38.996511,-12.343410; 
2,39.539788,-18.273362; 
2,12.287511,-0.984705; 
2,11.459300,-1.318747; 
2; 
2,6.190102,-0.227264; 
2,8.118780,-0.468773; 
*SOC part, doesn't work in molcas (??)
*4;
*2,32.692614,-155.939863; 
*2,32.770339,155.927448; 
*2,13.751067,-36.042265; 
*2,13.322166,36.094372; 
*4; 
*2,38.996511,12.343410; 
*2,39.539788,-12.182241; 
*2,12.287511,0.984705; 
*2,11.459300,-0.879165; 
*2; 
*2,6.190102,0.151509; 
*2,8.118780,-0.234387; 
*
Spectral Representation Operator
End of Spectral Representation Operator
***************************************
*
/Zn.NB.cc-pVDZ.20s16p8d2f.6s5p3d1f
J. Chem. Phys. 123, 064107 (2005), J. Chem. Phys. 125, 074110 (2006)
CU       (20s,16p,8d,2f) -> [6s,5p,3d,1f]
          30.000000   3
* S-type functions
    20    6
              5.430321D+06     
              8.131665D+05     
              1.850544D+05     
              5.241466D+04     
              1.709868D+04     
              6.171994D+03     
              2.406481D+03     
              9.972584D+02     
              4.339289D+02     
              1.962869D+02     
              9.104280D+01     
              4.138425D+01     
              1.993278D+01     
              9.581891D+00     
              4.234516D+00     
              1.985814D+00     
              8.670830D-01     
              1.813390D-01     
              8.365700D-02     
              3.626700D-02     
      7.801026D-06          -4.404706D-06           9.704682D-07          -1.959354D-07          -3.532229D-07           0.000000D+00     
      6.065666D-05          -3.424801D-05           7.549245D-06          -1.523472D-06          -2.798812D-06           0.000000D+00     
      3.188964D-04          -1.801238D-04           3.968892D-05          -8.014808D-06          -1.432517D-05           0.000000D+00     
      1.344687D-03          -7.600455D-04           1.677200D-04          -3.383992D-05          -6.270946D-05           0.000000D+00     
      4.869050D-03          -2.759348D-03           6.095101D-04          -1.231191D-04          -2.179490D-04           0.000000D+00     
      1.561013D-02          -8.900970D-03           1.978846D-03          -3.992085D-04          -7.474316D-04           0.000000D+00     
      4.452077D-02          -2.579378D-02           5.798049D-03          -1.171900D-03          -2.049271D-03           0.000000D+00     
      1.103111D-01          -6.623861D-02           1.534158D-02          -3.096141D-03          -5.885203D-03           0.000000D+00     
      2.220342D-01          -1.445927D-01           3.540484D-02          -7.171993D-03          -1.226885D-02           0.000000D+00     
      3.133739D-01          -2.440110D-01           6.702098D-02          -1.356621D-02          -2.683147D-02           0.000000D+00     
      2.315121D-01          -2.504837D-01           8.026945D-02          -1.643989D-02          -2.479261D-02           0.000000D+00     
      7.640920D-02           2.852577D-02          -1.927231D-02           4.107628D-03          -5.984746D-03           0.000000D+00     
      1.103818D-01           5.115874D-01          -3.160129D-01           6.693964D-02           1.557124D-01           0.000000D+00     
      1.094372D-01           4.928061D-01          -4.573162D-01           1.028221D-01           1.436683D-01           0.000000D+00     
      1.836311D-02           8.788437D-02           1.550841D-01          -4.422945D-02           8.374103D-03           0.000000D+00     
     -6.043084D-04          -5.820281D-03           7.202872D-01          -2.031191D-01          -7.460711D-01           0.000000D+00     
      5.092245D-05           2.013508D-04           3.885122D-01          -2.230022D-01           1.244367D-01           0.000000D+00     
     -5.540730D-05          -5.182553D-04           1.924326D-02           2.517975D-01           1.510110D+00           0.000000D+00     
      3.969482D-05           3.731503D-04          -7.103807D-03           5.650091D-01          -3.477122D-01           0.000000D+00     
     -1.269538D-05          -1.193171D-04           3.272906D-03           3.247243D-01          -9.774169D-01           1.000000D+00     
* P-type functions
    16    5
              2.276057D+04     
              5.387679D+03     
              1.749945D+03     
              6.696653D+02     
              2.841948D+02     
              1.296077D+02     
              6.225415D+01     
              3.092964D+01     
              1.575827D+01     
              8.094211D+00     
              4.046921D+00     
              1.967869D+00     
              9.252950D-01     
              3.529920D-01     
              1.273070D-01     
              4.435600D-02     
      4.000000D-05          -1.500000D-05           3.000000D-06           5.000000D-06           0.000000D+00     
      3.610000D-04          -1.310000D-04           2.500000D-05           4.900000D-05           0.000000D+00     
      2.083000D-03          -7.550000D-04           1.470000D-04           2.780000D-04           0.000000D+00     
      9.197000D-03          -3.359000D-03           6.560000D-04           1.253000D-03           0.000000D+00     
      3.266000D-02          -1.208100D-02           2.351000D-03           4.447000D-03           0.000000D+00     
      9.379500D-02          -3.570300D-02           7.004000D-03           1.337000D-02           0.000000D+00     
      2.082740D-01          -8.250200D-02           1.613100D-02           3.046900D-02           0.000000D+00     
      3.339930D-01          -1.398900D-01           2.777000D-02           5.344700D-02           0.000000D+00     
      3.324930D-01          -1.407290D-01           2.756700D-02           5.263900D-02           0.000000D+00     
      1.547280D-01           3.876600D-02          -1.011500D-02          -1.688100D-02           0.000000D+00     
      2.127100D-02           3.426950D-01          -8.100900D-02          -1.794480D-01           0.000000D+00     
     -1.690000D-03           4.523100D-01          -1.104090D-01          -2.095880D-01           0.000000D+00     
     -1.516000D-03           2.770540D-01          -7.173200D-02          -3.963300D-02           0.000000D+00     
     -2.420000D-04           4.388500D-02           1.879300D-01           5.021300D-01           0.000000D+00     
      2.300000D-05          -2.802000D-03           5.646290D-01           5.811110D-01           0.000000D+00     
     -9.000000D-06           1.152000D-03           4.070000D-01           4.566600D-02           1.000000D+00     
* D-type functions
    8    3
              1.738970D+02     
              5.188690D+01     
              1.934190D+01     
              7.975720D+00     
              3.398230D+00     
              1.409320D+00     
              5.488580D-01     
              1.901990D-01     
      2.700000D-03          -3.363000D-03           0.000000D+00     
      2.090900D-02          -2.607900D-02           0.000000D+00     
      8.440800D-02          -1.082310D-01           0.000000D+00     
      2.139990D-01          -2.822170D-01           0.000000D+00     
      3.359800D-01          -3.471900D-01           0.000000D+00     
      3.573010D-01           2.671100D-02           0.000000D+00     
      2.645780D-01           4.920470D-01           0.000000D+00     
      1.039720D-01           4.384220D-01           1.000000D+00     
* F-type functions
    2    1
              5.028600D+00     
              1.259400D+00     
      4.242800D-01     
      7.630250D-01
*
***************************************
*
/H.NB.cc-pVDZ.4s1p.2s
T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
HYDROGEN     (4s,1p) -> [2s,1p]

          1.   0
* S-type functions
    4    2
      13.01000000
       1.96200000
       0.44460000
       0.12200000
  0.01968500  0.00000000
  0.13797700  0.00000000
  0.47814800  0.00000000
  0.50124000  1.00000000

/O.NB.cc-pVTZ.10s5p2d1f.4s3p2d1f
T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
O        (10s,5p,2d,1f) -> [4s,3p,2d,1f]
          8.000000   3
* S-type functions
    10    4
          15330.0000000        
           2299.0000000        
            522.4000000        
            147.3000000        
             47.5500000        
             16.7600000        
              6.2070000        
              1.7520000        
              0.6882000        
              0.2384000        
      0.0005080             -0.0001150              0.0000000              0.0000000        
      0.0039290             -0.0008950              0.0000000              0.0000000        
      0.0202430             -0.0046360              0.0000000              0.0000000        
      0.0791810             -0.0187240              0.0000000              0.0000000        
      0.2306870             -0.0584630              0.0000000              0.0000000        
      0.4331180             -0.1364630              0.0000000              0.0000000        
      0.3502600             -0.1757400              0.0000000              0.0000000        
      0.0427280              0.1609340              1.0000000              0.0000000        
     -0.0081540              0.6034180              0.0000000              0.0000000        
      0.0023810              0.3787650              0.0000000              1.0000000        
* P-type functions
    5    3
             34.4600000        
              7.7490000        
              2.2800000        
              0.7156000        
              0.2140000        
      0.0159280              0.0000000              0.0000000        
      0.0997400              0.0000000              0.0000000        
      0.3104920              0.0000000              0.0000000        
      0.4910260              1.0000000              0.0000000        
      0.3363370              0.0000000              1.0000000        
* D-type functions
    2    2
              2.3140000        
              0.6450000        
      1.0000000              0.0000000        
      0.0000000              1.0000000        
* F-type functions
    1    1
              1.4280000        
      1.0000000        

/Cu.NB.cc-pVTZ.20s16p8d2f1g.7s6p4d2f1g
J. Chem. Phys. 123, 064107 (2005), J. Chem. Phys. 125, 074110 (2006)
CU       (20s,16p,8d,2f,1g) -> [7s,6p,4d,2f,1g]
          29.000000   4
* S-type functions
    20    7
         5430321.0000000       
         813166.5000000        
         185054.4000000        
          52414.6600000        
          17098.6800000        
           6171.9940000        
           2406.4810000        
            997.2584000        
            433.9289000        
            196.2869000        
             91.0428000        
             41.3842500        
             19.9327800        
              9.5818910        
              4.2345160        
              1.9858140        
              0.8670830        
              0.1813390        
              0.0836570        
              0.0362670        
      7.801026E-06          -4.404706E-06           9.704682E-07          -1.959354E-07          -3.532229E-07          -7.508267E-07           0.0000000        
      6.065666E-05          -3.424801E-05           7.549245E-06          -1.523472E-06          -2.798812E-06          -5.972018E-06           0.0000000        
      0.0003188964          -0.0001801238           3.968892E-05          -8.014808E-06          -1.432517E-05          -3.039682E-05           0.0000000        
      0.001344687           -0.0007600455           0.00016772            -3.383992E-05          -6.270946E-05          -0.0001340405           0.0000000        
      0.00486905            -0.002759348            0.0006095101          -0.0001231191          -0.000217949           -0.0004615778           0.0000000        
      0.01561013            -0.00890097             0.001978846           -0.0003992085          -0.0007474316          -0.001601064            0.0000000        
      0.04452077            -0.02579378             0.005798049           -0.0011719             -0.002049271           -0.004330942            0.0000000        
      0.1103111             -0.06623861             0.01534158            -0.003096141           -0.005885203           -0.01265434             0.0000000        
      0.2220342             -0.1445927              0.03540484            -0.007171993           -0.01226885            -0.02586864             0.0000000        
      0.3133739             -0.2440110              0.06702098            -0.01356621            -0.02683147            -0.05835428             0.0000000        
      0.2315121             -0.2504837              0.08026945            -0.01643989            -0.02479261            -0.05132322             0.0000000        
      0.0764092              0.02852577            -0.01927231             0.004107628           -0.005984746           -0.01908953             0.0000000        
      0.1103818              0.5115874             -0.3160129              0.06693964             0.1557124              0.3586116              0.0000000        
      0.1094372              0.4928061             -0.4573162              0.1028221              0.1436683              0.3885818              0.0000000        
      0.01836311             0.08788437             0.1550841             -0.04422945             0.008374103           -0.3057106              0.0000000        
     -0.0006043084          -0.005820281            0.7202872             -0.2031191             -0.7460711             -2.0698960              0.0000000        
      5.092245E-05           0.0002013508           0.3885122             -0.2230022              0.1244367              2.4317740              0.0000000        
     -5.54073E-05           -0.0005182553           0.01924326             0.2517975              1.5101100             -0.02121974             0.0000000        
      3.969482E-05           0.0003731503          -0.007103807            0.5650091             -0.3477122             -1.8202510              0.0000000        
     -1.269538E-05          -0.0001193171           0.003272906            0.3247243             -0.9774169              1.4345850              1.0000000        
* P-type functions
    16    6
          22760.5700000        
           5387.6790000        
           1749.9450000        
            669.6653000        
            284.1948000        
            129.6077000        
             62.2541500        
             30.9296400        
             15.7582700        
              8.0942110        
              4.0469210        
              1.9678690        
              0.9252950        
              0.3529920        
              0.1273070        
              0.0443560        
      0.0000400             -0.0000150              0.0000030              0.0000050              0.0000110              0.0000000        
      0.0003610             -0.0001310              0.0000250              0.0000490              0.0000960              0.0000000        
      0.0020830             -0.0007550              0.0001470              0.0002780              0.0005900              0.0000000        
      0.0091970             -0.0033590              0.0006560              0.0012530              0.0024840              0.0000000        
      0.0326600             -0.0120810              0.0023510              0.0044470              0.0094630              0.0000000        
      0.0937950             -0.0357030              0.0070040              0.0133700              0.0264530              0.0000000        
      0.2082740             -0.0825020              0.0161310              0.0304690              0.0656890              0.0000000        
      0.3339930             -0.1398900              0.0277700              0.0534470              0.1027320              0.0000000        
      0.3324930             -0.1407290              0.0275670              0.0526390              0.1370410              0.0000000        
      0.1547280              0.0387660             -0.0101150             -0.0168810             -0.0709610              0.0000000        
      0.0212710              0.3426950             -0.0810090             -0.1794480             -0.5047080              0.0000000        
     -0.0016900              0.4523100             -0.1104090             -0.2095880             -0.4780560              0.0000000        
     -0.0015160              0.2770540             -0.0717320             -0.0396330              0.9428920              0.0000000        
     -0.0002420              0.0438850              0.1879300              0.5021300              0.5446990              0.0000000        
      0.0000230             -0.0028020              0.5646290              0.5811110             -0.8327660              0.0000000        
     -0.0000090              0.0011520              0.4070000              0.0456660             -0.1084160              1.0000000        
* D-type functions
    8    4
            173.8970000        
             51.8869000        
             19.3419000        
              7.9757200        
              3.3982300        
              1.4093200        
              0.5488580        
              0.1901990        
      0.0027000             -0.0033630              0.0041330              0.0000000        
      0.0209090             -0.0260790              0.0330850              0.0000000        
      0.0844080             -0.1082310              0.1383360              0.0000000        
      0.2139990             -0.2822170              0.3901660              0.0000000        
      0.3359800             -0.3471900              0.1698420              0.0000000        
      0.3573010              0.0267110             -0.6830180              0.0000000        
      0.2645780              0.4920470             -0.2657970              0.0000000        
      0.1039720              0.4384220              0.8380630              1.0000000        
* F-type functions
    2    2
              5.0821000        
              1.2797000        
      1.0000000              0.0000000        
      0.0000000              1.0000000        
* G-type functions
    1    1
              3.4835000        
      1.0000000        

/O.NB.cc-pVQZ.12s6p3d2f1g.5s4p3d2f1g
T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
O        (12s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]

          8.000000   4
* S-type functions
    12    5
          61420.0000000        
           9199.0000000        
           2091.0000000        
            590.9000000        
            192.3000000        
             69.3200000        
             26.9700000        
             11.1000000        
              4.6820000        
              1.4280000        
              0.5547000        
              0.2067000        
      0.0000900             -0.0000200              0.0000000              0.0000000              0.0000000        
      0.0006980             -0.0001590              0.0000000              0.0000000              0.0000000        
      0.0036640             -0.0008290              0.0000000              0.0000000              0.0000000        
      0.0152180             -0.0035080              0.0000000              0.0000000              0.0000000        
      0.0524230             -0.0121560              0.0000000              0.0000000              0.0000000        
      0.1459210             -0.0362610              0.0000000              0.0000000              0.0000000        
      0.3052580             -0.0829920              0.0000000              0.0000000              0.0000000        
      0.3985080             -0.1520900              0.0000000              0.0000000              0.0000000        
      0.2169800             -0.1153310              0.0000000              0.0000000              0.0000000        
      0.0175940              0.2889790              1.0000000              0.0000000              0.0000000        
     -0.0025020              0.5861280              0.0000000              1.0000000              0.0000000        
      0.0009540              0.2776240              0.0000000              0.0000000              1.0000000        
* P-type functions
    6    4
             63.4200000        
             14.6600000        
              4.4590000        
              1.5310000        
              0.5302000        
              0.1750000        
      0.0060440              0.0000000              0.0000000              0.0000000        
      0.0417990              0.0000000              0.0000000              0.0000000        
      0.1611430              0.0000000              0.0000000              0.0000000        
      0.3567310              1.0000000              0.0000000              0.0000000        
      0.4483090              0.0000000              1.0000000              0.0000000        
      0.2449400              0.0000000              0.0000000              1.0000000        
* D-type functions
    3    3
              3.7750000        
              1.3000000        
              0.4440000        
      1.0000000              0.0000000              0.0000000        
      0.0000000              1.0000000              0.0000000        
      0.0000000              0.0000000              1.0000000        
* F-type functions
    2    2
              2.6660000        
              0.8590000        
      1.0000000              0.0000000        
      0.0000000              1.0000000        
* G-type functions
    1    1
              1.8460000        
      1.0000000        

/Cu.NB.cc-pVQZ.22s18p11d3f2g1h.8s7p5d3f2g1h
J. Chem. Phys. 123, 064107 (2005), J. Chem. Phys. 125, 074110 (2006)
CU       (22s,18p,11d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
          29.000000   5
* S-type functions
    22    8
         16665490.0000000      
         2495213.0000000       
         567850.7000000        
         160853.1000000        
          52481.8600000        
          18948.8500000        
           7391.6550000        
           3066.5170000        
           1337.9940000        
            608.7830000        
            286.8980000        
            139.1530000        
             68.4945500        
             31.6010800        
             15.9915800        
              8.0565100        
              3.6903290        
              1.7629020        
              0.8012690        
              0.1842430        
              0.0817930        
              0.0353030        
      1.92221E-06           -1.082642E-06           2.389605E-07          -4.823436E-08          -8.876635E-08          -1.849356E-07          -1.980951E-07           0.0000000        
      1.494655E-05          -8.420869E-06           1.860009E-06          -3.753858E-07          -7.032135E-07          -1.461905E-06          -1.446191E-06           0.0000000        
      7.863106E-05          -4.428625E-05           9.77258E-06           -1.972743E-06          -3.601366E-06          -7.510534E-06          -8.326308E-06           0.0000000        
      0.0003321189          -0.0001872071           4.137619E-05          -8.349961E-06          -1.576871E-05          -3.274989E-05          -3.11938E-05            0.0000000        
      0.001209649           -0.0006819265           0.0001505588          -3.039535E-05          -5.499726E-05          -0.0001148239          -0.0001320842           0.0000000        
      0.003936231           -0.002225485            0.0004932175          -9.95301E-05           -0.0001897055          -0.0003935903          -0.0003585362           0.0000000        
      0.01166031            -0.00661962             0.001469467           -0.0002967188          -0.0005311656          -0.001110617           -0.001333996            0.0000000        
      0.03149512            -0.0181140              0.004071487           -0.0008217293          -0.001584593           -0.003284174           -0.002824728            0.0000000        
      0.07646385            -0.04506622             0.01030091            -0.002081377           -0.003671316           -0.007697235           -0.009806333            0.0000000        
      0.1595162             -0.09955443             0.02381408            -0.004811149           -0.009458893           -0.01959013            -0.01529323             0.0000000        
      0.2618983             -0.1830558              0.04707008            -0.009537683           -0.01630134            -0.03444712            -0.04956573             0.0000000        
      0.2816708             -0.2510577              0.0742445             -0.01507351            -0.03145402            -0.06507176            -0.03583468             0.0000000        
      0.1509587             -0.1703417              0.05657657            -0.01161088            -0.01444712            -0.03269416            -0.1044906              0.0000000        
      0.07041955             0.1900077             -0.09760862             0.02032716             0.02037856             0.04738915             0.2105854              0.0000000        
      0.1180039              0.5507048             -0.3856399              0.08327403             0.1997307              0.4333712              0.1646732              0.0000000        
      0.08015187             0.3642532             -0.3540312              0.07953125             0.09475926             0.3189521              1.1505130              0.0000000        
      0.01020122             0.04868977             0.2983959             -0.07901524            -0.07935398            -0.7281955             -3.4837320              0.0000000        
     -0.0003720464          -0.003799993            0.6861809             -0.2054312             -0.7591353             -1.6631160              2.5166360              0.0000000        
     -2.206886E-05          -0.0003156308           0.3150989             -0.1985134              0.2365079              2.5132670              0.4429064              0.0000000        
     -2.401085E-05          -0.0002430411           0.01394564             0.2627133              1.4226040             -0.3736861             -3.4043100              0.0000000        
      1.529816E-05           0.0001553645          -0.00361164             0.5794031             -0.3066203             -1.4791020              4.6278500              0.0000000        
     -5.151167E-06          -5.180256E-05           0.002289115            0.3054149             -0.9619310              1.3158940             -2.2401200              1.0000000        
* P-type functions
    18    7
          48218.4100000        
          11420.5500000        
           3713.5690000        
           1423.7620000        
            606.6041000        
            278.2564000        
            134.8449000        
             68.1225400        
             35.4008800        
             18.7902900        
             10.0835600        
              5.3461200        
              2.7752280        
              1.4075640        
              0.6872130        
              0.2468220        
              0.0962200        
              0.0370370        
      0.0000110             -0.0000040              0.0000010              0.0000020              0.0000030              0.0000040              0.0000000        
      0.0000970             -0.0000350              0.0000070              0.0000130              0.0000250              0.0000370              0.0000000        
      0.0005690             -0.0002060              0.0000400              0.0000790              0.0001630              0.0001900              0.0000000        
      0.0025890             -0.0009410              0.0001820              0.0003490              0.0006760              0.0009780              0.0000000        
      0.0097420             -0.0035560              0.0006970              0.0013730              0.0028080              0.0033080              0.0000000        
      0.0309300             -0.0114610              0.0022200              0.0042610              0.0082550              0.0119800              0.0000000        
      0.0825300             -0.0313090              0.0061630              0.0121460              0.0249460              0.0292070              0.0000000        
      0.1777580             -0.0701390              0.0136310              0.0260640              0.0501600              0.0751220              0.0000000        
      0.2922250             -0.1205620              0.0240330              0.0479070              0.1002890              0.1078350              0.0000000        
      0.3303490             -0.1435520              0.0278620              0.0528290              0.1023190              0.2073790              0.0000000        
      0.2068630             -0.0403270              0.0079750              0.0215750              0.0772410              0.0604060              0.0000000        
      0.0527930              0.2084660             -0.0511330             -0.1177830             -0.3844490             -0.8949770              0.0000000        
      0.0017180              0.4087240             -0.0923050             -0.1883970             -0.4513540             -0.5584020              0.0000000        
     -0.0017010              0.3682010             -0.1064580             -0.2019160             -0.0947780              1.8997060              0.0000000        
     -0.0009760              0.1596530              0.0037380              0.1737430              1.1731180             -0.5022240              0.0000000        
     -0.0000540              0.0159550              0.3105410              0.6368480             -0.0541330             -1.1824130              0.0000000        
      0.0000000             -0.0016810              0.5419030              0.3515180             -0.7282440              1.0445070              0.0000000        
     -0.0000010              0.0006310              0.2825020              0.0123830              0.0004270              0.0122360              1.0000000        
* D-type functions
    11    5
            527.8860000        
            158.7330000        
             61.5556000        
             26.8834000        
             12.5175000        
              6.0697700        
              2.9583190        
              1.4141220        
              0.6533290        
              0.2866920        
              0.1150140        
      0.0002560             -0.0003160              0.0003790             -0.0005930              0.0000000        
      0.0023780             -0.0029580              0.0035730             -0.0051060              0.0000000        
      0.0127220             -0.0158770              0.0192290             -0.0299220              0.0000000        
      0.0450120             -0.0568640              0.0699030             -0.1032930              0.0000000        
      0.1171960             -0.1535840              0.1993800             -0.3595680              0.0000000        
      0.2185550             -0.2811390              0.3488480             -0.4128070              0.0000000        
      0.2914480             -0.2685180              0.0513940              0.7476890              0.0000000        
      0.2971380              0.0231300             -0.5596790              0.5425150              0.0000000        
      0.2360920              0.3566200             -0.3845810             -0.9777060              0.0000000        
      0.1314440              0.4184700              0.4389250             -0.0886030              0.0000000        
      0.0343450              0.1928270              0.4904980              0.6550700              1.0000000        
* F-type functions
    3    3
              7.7344000        
              2.3909000        
              0.7391000        
      1.0000000              0.0000000              0.0000000        
      0.0000000              1.0000000              0.0000000        
      0.0000000              0.0000000              1.0000000        
* G-type functions
    2    2
              6.0075000        
              1.7760000        
      1.0000000              0.0000000        
      0.0000000              1.0000000        
* H-type functions
    1    1
              3.7909000        
      1.0000000        
***************************************
*
/La.NB.ECP.4s4p.2s2p.11e
Ref 17: M. Dolg, H. Stoll, A. Savin, H. Preuss, Theor. Chim. Acta 75, 173 (1989) 
Here 2s2p
    11.0000   2
*s functions
  4  2
            0.50873990E+01
            0.42709780E+01
            0.19154580E+01
            0.52559600E+00  
 -0.41724300E+00             0.00000000E+00 
  0.88601000E+00             0.00000000E+00 
 -0.14197520E+01             0.00000000E+00 
  0.00000000E+00             0.10000000E+01 
*p functions
  4  2
             0.30251610E+01
             0.23820950E+01
             0.58442600E+00
             0.26036000E+00  
  0.53819600E+00             0.00000000E+00
 -0.98164000E+00             0.00000000E+00
  0.12395900E+01             0.00000000E+00
  0.00000000E+00             0.10000000E+01
PP,La,46,4;
1; ! G POTENTIAL    
2, 1.00000000,.000000000;
2; ! S-G POTENTIAL  
2, 3.30990000,91.9321770;
2, 1.65500000,-3.7887640;
2; ! P-G POTENTIAL  
2, 2.83680000,63.7594860;
2, 1.41840000,-0.6479580;
2; ! D-G POTENTIAL  
2, 2.02130000,36.1191730;
2, 1.01070000,0.21911400;
1; ! F-G POTENTIAL  
2, 4.02860000,-36.010016;
*
Spectral Representation Operator
End of Spectral Representation Operator
*
***************************************
