PTEROSOR/QuantumPackage
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QuantumPackage/data/basis/aug-pcj-4_2006

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Initial commit
2019-01-25 11:39:31 +01:00
HYDROGEN
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HELIUM
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BORON
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CARBON
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NITROGEN
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OXYGEN
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FLUORINE
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3 0.280068E+06 0.227717E-01
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NEON
S 5
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H 1
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ALUMINUM
S 7
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4 0.130858E+06 0.281705E-01
5 0.370630E+05 0.938197E-01
6 0.120944E+05 0.391943E+00
7 0.436684E+04 0.500000E+00
S 7
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P 6
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4 0.436378E+03 0.298403E-01
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SILICON
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4 0.169992E+06 0.159818E-01
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1 0.437154E+02 1.0000000
S 1
1 0.214905E+02 1.0000000
S 1
1 0.106688E+02 1.0000000
S 1
1 0.488815E+01 1.0000000
S 1
1 0.233610E+01 1.0000000
S 1
1 0.109667E+01 1.0000000
S 1
1 0.423124E+00 1.0000000
S 1
1 0.242757E+00 1.0000000
S 1
1 0.117035E+00 1.0000000
S 1
1 0.528607E-01 1.0000000
S 1
1 0.218970E-01 1.0000000
P 6
1 0.419464E+05 0.270534E-04
2 0.645329E+04 0.542040E-03
3 0.153395E+04 0.506288E-02
4 0.498384E+03 0.289748E-01
5 0.188978E+03 0.133718E+00
6 0.778870E+02 0.500000E+00
P 1
1 0.355138E+02 1.0000000
P 1
1 0.170159E+02 1.0000000
P 1
1 0.849770E+01 1.0000000
P 1
1 0.435444E+01 1.0000000
P 1
1 0.225750E+01 1.0000000
P 1
1 0.115967E+01 1.0000000
P 1
1 0.593432E+00 1.0000000
P 1
1 0.290119E+00 1.0000000
P 1
1 0.138249E+00 1.0000000
P 1
1 0.645939E-01 1.0000000
P 1
1 0.283545E-01 1.0000000
P 1
1 0.114420E-01 1.0000000
D 1
1 0.107360E+03 1.0000000
D 1
1 0.195200E+02 1.0000000
D 1
1 0.558000E+01 1.0000000
D 1
1 0.192000E+01 1.0000000
D 1
1 0.690000E+00 1.0000000
D 1
1 0.299000E+00 1.0000000
D 1
1 0.125000E+00 1.0000000
D 1
1 0.343260E-01 1.0000000
F 1
1 0.237600E+02 1.0000000
F 1
1 0.264000E+01 1.0000000
F 1
1 0.620000E+00 1.0000000
F 1
1 0.260000E+00 1.0000000
F 1
1 0.457680E-01 1.0000000
G 1
1 0.135000E+01 1.0000000
G 1
1 0.450000E+00 1.0000000
G 1
1 0.572110E-01 1.0000000
H 1
1 0.780000E+00 1.0000000
H 1
1 0.686530E-01 1.0000000
PHOSPHORUS
S 7
1 0.105250E+09 0.173787E-04
2 0.526252E+07 0.412410E-03
3 0.822125E+06 0.326601E-02
4 0.194253E+06 0.157611E-01
5 0.564235E+05 0.650621E-01
6 0.187160E+05 0.201150E+00
7 0.683928E+04 0.500000E+00
S 7
1 0.526252E+07 -0.519380E-05
2 0.822125E+06 -0.138550E-05
3 0.194253E+06 -0.139249E-03
4 0.564235E+05 -0.568817E-03
5 0.187160E+05 -0.896674E-02
6 0.683928E+04 -0.611038E-01
7 0.269306E+04 -0.500000E+00
S 1
1 0.112648E+04 1.0000000
S 1
1 0.495208E+03 1.0000000
S 1
1 0.226383E+03 1.0000000
S 1
1 0.106617E+03 1.0000000
S 1
1 0.519048E+02 1.0000000
S 1
1 0.258506E+02 1.0000000
S 1
1 0.130219E+02 1.0000000
S 1
1 0.605679E+01 1.0000000
S 1
1 0.295743E+01 1.0000000
S 1
1 0.140784E+01 1.0000000
S 1
1 0.571875E+00 1.0000000
S 1
1 0.310778E+00 1.0000000
S 1
1 0.149470E+00 1.0000000
S 1
1 0.683135E-01 1.0000000
S 1
1 0.286070E-01 1.0000000
P 6
1 0.503661E+05 0.272106E-04
2 0.774862E+04 0.549774E-03
3 0.183359E+04 0.516564E-02
4 0.595546E+03 0.295367E-01
5 0.226610E+03 0.135383E+00
6 0.941913E+02 0.500000E+00
P 1
1 0.433319E+02 1.0000000
P 1
1 0.209074E+02 1.0000000
P 1
1 0.105015E+02 1.0000000
P 1
1 0.542547E+01 1.0000000
P 1
1 0.288179E+01 1.0000000
P 1
1 0.152843E+01 1.0000000
P 1
1 0.810815E+00 1.0000000
P 1
1 0.390282E+00 1.0000000
P 1
1 0.186453E+00 1.0000000
P 1
1 0.875669E-01 1.0000000
P 1
1 0.386731E-01 1.0000000
P 1
1 0.156930E-01 1.0000000
D 1
1 0.116765E+03 1.0000000
D 1
1 0.212300E+02 1.0000000
D 1
1 0.607000E+01 1.0000000
D 1
1 0.209000E+01 1.0000000
D 1
1 0.750000E+00 1.0000000
D 1
1 0.325000E+00 1.0000000
D 1
1 0.135000E+00 1.0000000
D 1
1 0.470800E-01 1.0000000
F 1
1 0.280800E+02 1.0000000
F 1
1 0.312000E+01 1.0000000
F 1
1 0.730000E+00 1.0000000
F 1
1 0.300000E+00 1.0000000
F 1
1 0.627740E-01 1.0000000
G 1
1 0.155000E+01 1.0000000
G 1
1 0.520000E+00 1.0000000
G 1
1 0.784670E-01 1.0000000
H 1
1 0.870000E+00 1.0000000
H 1
1 0.941610E-01 1.0000000
SULFUR
S 7
1 0.127184E+09 0.169729E-04
2 0.635920E+07 0.400489E-03
3 0.983887E+06 0.322623E-02
4 0.229773E+06 0.159241E-01
5 0.662758E+05 0.653870E-01
6 0.218839E+05 0.206152E+00
7 0.796959E+04 0.500000E+00
S 7
1 0.635920E+07 0.577010E-05
2 0.983887E+06 0.778260E-05
3 0.229773E+06 0.140229E-03
4 0.662758E+05 0.735060E-03
5 0.218839E+05 0.881566E-02
6 0.796959E+04 0.636601E-01
7 0.312992E+04 0.500000E+00
S 1
1 0.130517E+04 1.0000000
S 1
1 0.571698E+03 1.0000000
S 1
1 0.260581E+03 1.0000000
S 1
1 0.122481E+03 1.0000000
S 1
1 0.595182E+02 1.0000000
S 1
1 0.296267E+02 1.0000000
S 1
1 0.149432E+02 1.0000000
S 1
1 0.704789E+01 1.0000000
S 1
1 0.350404E+01 1.0000000
S 1
1 0.169969E+01 1.0000000
S 1
1 0.731007E+00 1.0000000
S 1
1 0.379476E+00 1.0000000
S 1
1 0.181852E+00 1.0000000
S 1
1 0.839606E-01 1.0000000
S 1
1 0.354870E-01 1.0000000
P 6
1 0.607190E+05 0.271033E-04
2 0.934139E+04 0.547795E-03
3 0.220865E+04 0.516211E-02
4 0.716270E+03 0.296495E-01
5 0.272505E+03 0.136143E+00
6 0.113768E+03 0.500000E+00
P 1
1 0.525714E+02 1.0000000
P 1
1 0.253973E+02 1.0000000
P 1
1 0.127703E+02 1.0000000
P 1
1 0.662243E+01 1.0000000
P 1
1 0.353882E+01 1.0000000
P 1
1 0.187562E+01 1.0000000
P 1
1 0.990177E+00 1.0000000
P 1
1 0.477231E+00 1.0000000
P 1
1 0.226924E+00 1.0000000
P 1
1 0.104733E+00 1.0000000
P 1
1 0.453027E-01 1.0000000
P 1
1 0.180360E-01 1.0000000
D 1
1 0.126115E+03 1.0000000
D 1
1 0.229300E+02 1.0000000
D 1
1 0.655000E+01 1.0000000
D 1
1 0.226000E+01 1.0000000
D 1
1 0.810000E+00 1.0000000
D 1
1 0.351000E+00 1.0000000
D 1
1 0.146000E+00 1.0000000
D 1
1 0.541070E-01 1.0000000
F 1
1 0.323100E+02 1.0000000
F 1
1 0.359000E+01 1.0000000
F 1
1 0.840000E+00 1.0000000
F 1
1 0.350000E+00 1.0000000
F 1
1 0.721420E-01 1.0000000
G 1
1 0.176000E+01 1.0000000
G 1
1 0.590000E+00 1.0000000
G 1
1 0.901780E-01 1.0000000
H 1
1 0.950000E+00 1.0000000
H 1
1 0.108210E+00 1.0000000
CHLORINE
S 7
1 0.148425E+09 0.167413E-04
2 0.742123E+07 0.395461E-03
3 0.114107E+07 0.320470E-02
4 0.264425E+06 0.161231E-01
5 0.757909E+05 0.658835E-01
6 0.249248E+05 0.211519E+00
7 0.905259E+04 0.500000E+00
S 7
1 0.742123E+07 0.570970E-05
2 0.114107E+07 0.116320E-04
3 0.264425E+06 0.130485E-03
4 0.757909E+05 0.854382E-03
5 0.249248E+05 0.855044E-02
6 0.905259E+04 0.659573E-01
7 0.354813E+04 0.500000E+00
S 1
1 0.147798E+04 1.0000000
S 1
1 0.647354E+03 1.0000000
S 1
1 0.295333E+03 1.0000000
S 1
1 0.138978E+03 1.0000000
S 1
1 0.675489E+02 1.0000000
S 1
1 0.336610E+02 1.0000000
S 1
1 0.170273E+02 1.0000000
S 1
1 0.815043E+01 1.0000000
S 1
1 0.413190E+01 1.0000000
S 1
1 0.204567E+01 1.0000000
S 1
1 0.940294E+00 1.0000000
S 1
1 0.469013E+00 1.0000000
S 1
1 0.222191E+00 1.0000000
S 1
1 0.102198E+00 1.0000000
S 1
1 0.430460E-01 1.0000000
P 6
1 0.717298E+05 0.272419E-04
2 0.110354E+05 0.550476E-03
3 0.261153E+04 0.517633E-02
4 0.848019E+03 0.297097E-01
5 0.323004E+03 0.136510E+00
6 0.135328E+03 0.500000E+00
P 1
1 0.626841E+02 1.0000000
P 1
1 0.302982E+02 1.0000000
P 1
1 0.152400E+02 1.0000000
P 1
1 0.792595E+01 1.0000000
P 1
1 0.428531E+01 1.0000000
P 1
1 0.230431E+01 1.0000000
P 1
1 0.123574E+01 1.0000000
P 1
1 0.600210E+00 1.0000000
P 1
1 0.287394E+00 1.0000000
P 1
1 0.131853E+00 1.0000000
P 1
1 0.569701E-01 1.0000000
P 1
1 0.226570E-01 1.0000000
D 1
1 0.135465E+03 1.0000000
D 1
1 0.246300E+02 1.0000000
D 1
1 0.704000E+01 1.0000000
D 1
1 0.243000E+01 1.0000000
D 1
1 0.870000E+00 1.0000000
D 1
1 0.377000E+00 1.0000000
D 1
1 0.157000E+00 1.0000000
D 1
1 0.679720E-01 1.0000000
F 1
1 0.365400E+02 1.0000000
F 1
1 0.406000E+01 1.0000000
F 1
1 0.950000E+00 1.0000000
F 1
1 0.390000E+00 1.0000000
F 1
1 0.906290E-01 1.0000000
G 1
1 0.197000E+01 1.0000000
G 1
1 0.660000E+00 1.0000000
G 1
1 0.113290E+00 1.0000000
H 1
1 0.104000E+01 1.0000000
H 1
1 0.135940E+00 1.0000000
ARGON
S 7
1 0.188903E+09 0.141389E-04
2 0.944513E+07 0.358285E-03
3 0.141413E+07 0.291049E-02
4 0.321813E+06 0.146809E-01
5 0.911579E+05 0.624817E-01
6 0.297428E+05 0.195415E+00
7 0.107395E+05 0.500000E+00
S 7
1 0.944513E+07 0.952800E-06
2 0.141413E+07 -0.352260E-05
3 0.321813E+06 0.108384E-03
4 0.911579E+05 0.373911E-03
5 0.297428E+05 0.845132E-02
6 0.107395E+05 0.579014E-01
7 0.418999E+04 0.500000E+00
S 1
1 0.173892E+04 1.0000000
S 1
1 0.759285E+03 1.0000000
S 1
1 0.345503E+03 1.0000000
S 1
1 0.162357E+03 1.0000000
S 1
1 0.788881E+02 1.0000000
S 1
1 0.393209E+02 1.0000000
S 1
1 0.199184E+02 1.0000000
S 1
1 0.957641E+01 1.0000000
S 1
1 0.491611E+01 1.0000000
S 1
1 0.246476E+01 1.0000000
S 1
1 0.118304E+01 1.0000000
S 1
1 0.575208E+00 1.0000000
S 1
1 0.270406E+00 1.0000000
S 1
1 0.123116E+00 1.0000000
S 1
1 0.513800E-01 1.0000000
P 6
1 0.845397E+05 0.273252E-04
2 0.130061E+05 0.552339E-03
3 0.307813E+04 0.519381E-02
4 0.999564E+03 0.298543E-01
5 0.380974E+03 0.137201E+00
6 0.160276E+03 0.500000E+00
P 1
1 0.744941E+02 1.0000000
P 1
1 0.360649E+02 1.0000000
P 1
1 0.181644E+02 1.0000000
P 1
1 0.946650E+01 1.0000000
P 1
1 0.516300E+01 1.0000000
P 1
1 0.280849E+01 1.0000000
P 1
1 0.152347E+01 1.0000000
P 1
1 0.743785E+00 1.0000000
P 1
1 0.356799E+00 1.0000000
P 1
1 0.162215E+00 1.0000000
P 1
1 0.699561E-01 1.0000000
P 1
1 0.277700E-01 1.0000000
D 1
1 0.144815E+03 1.0000000
D 1
1 0.263300E+02 1.0000000
D 1
1 0.753000E+01 1.0000000
D 1
1 0.260000E+01 1.0000000
D 1
1 0.930000E+00 1.0000000
D 1
1 0.410000E+00 1.0000000
D 1
1 0.170000E+00 1.0000000
D 1
1 0.833100E-01 1.0000000
F 1
1 0.407700E+02 1.0000000
F 1
1 0.453000E+01 1.0000000
F 1
1 0.106000E+01 1.0000000
F 1
1 0.440000E+00 1.0000000
F 1
1 0.111100E+00 1.0000000
G 1
1 0.218000E+01 1.0000000
G 1
1 0.730000E+00 1.0000000
G 1
1 0.138900E+00 1.0000000
H 1
1 0.112000E+01 1.0000000
H 1
1 0.166600E+00 1.0000000
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