LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-30 15:15:38 +01:00
Code Releases Activity
2a98bc5d39
qp2/data/basis/aug-pcj-0
Anthony Scemama 24d9745056 Initial commit
2019-01-25 11:39:31 +01:00

398 lines
12 KiB
Plaintext
Raw Blame History

HYDROGEN
S 3
1 0.135775E+04 0.662212E-03
2 0.543100E+02 0.301327E-01
3 0.434480E+01 0.500000E+00
S 1
1 0.660491E+00 1.0000000
S 1
1 0.136687E+00 1.0000000
S 1
1 0.27174E-01 1.0000000
HELIUM
S 3
1 0.412812E+04 0.691634E-03
2 0.165125E+03 0.312785E-01
3 0.132100E+02 0.500000E+00
S 1
1 0.194344E+01 1.0000000
S 1
1 0.354434E+00 1.0000000
S 1
1 0.62370E-01 1.0000000
BORON
S 4
1 0.949153E+05 0.895474E-04
2 0.379661E+04 0.406499E-02
3 0.303729E+03 0.701581E-01
4 0.458945E+02 0.500000E+00
S 1
1 0.102055E+02 1.0000000
S 1
1 0.263484E+01 1.0000000
S 1
1 0.193796E+00 1.0000000
S 1
1 0.45600E-01 1.0000000
P 2
1 0.181374E+02 0.437247E-01
2 0.279036E+01 0.500000E+00
P 1
1 0.541947E+00 1.0000000
P 1
1 0.118759E+00 1.0000000
P 1
1 0.24940E-01 1.0000000
CARBON
S 4
1 0.139534E+06 0.897831E-04
2 0.558136E+04 0.404024E-02
3 0.446509E+03 0.697449E-01
4 0.674620E+02 0.500000E+00
S 1
1 0.150674E+02 1.0000000
S 1
1 0.393876E+01 1.0000000
S 1
1 0.299915E+00 1.0000000
S 1
1 0.69748E-01 1.0000000
P 2
1 0.283900E+02 0.422513E-01
2 0.436769E+01 0.500000E+00
P 1
1 0.869817E+00 1.0000000
P 1
1 0.188934E+00 1.0000000
P 1
1 0.39361E-01 1.0000000
NITROGEN
S 4
1 0.192453E+06 0.893681E-04
2 0.769812E+04 0.402418E-02
3 0.615850E+03 0.694684E-01
4 0.930439E+02 0.500000E+00
S 1
1 0.208479E+02 1.0000000
S 1
1 0.549589E+01 1.0000000
S 1
1 0.426240E+00 1.0000000
S 1
1 0.97986E-01 1.0000000
P 2
1 0.407418E+02 0.413624E-01
2 0.626797E+01 0.500000E+00
P 1
1 0.126901E+01 1.0000000
P 1
1 0.273903E+00 1.0000000
P 1
1 0.56709E-01 1.0000000
OXYGEN
S 4
1 0.253789E+06 0.889629E-04
2 0.101516E+05 0.401214E-02
3 0.812125E+03 0.692649E-01
4 0.122693E+03 0.500000E+00
S 1
1 0.275608E+02 1.0000000
S 1
1 0.731726E+01 1.0000000
S 1
1 0.579240E+00 1.0000000
S 1
1 0.13165E+00 1.0000000
P 2
1 0.534157E+02 0.410416E-01
2 0.821779E+01 0.500000E+00
P 1
1 0.167544E+01 1.0000000
P 1
1 0.350672E+00 1.0000000
P 1
1 0.70416E-01 1.0000000
FLUORINE
S 4
1 0.323467E+06 0.887582E-04
2 0.129387E+05 0.400349E-02
3 0.103509E+04 0.691137E-01
4 0.156377E+03 0.500000E+00
S 1
1 0.351961E+02 1.0000000
S 1
1 0.939211E+01 1.0000000
S 1
1 0.753418E+00 1.0000000
S 1
1 0.16931E+00 1.0000000
P 2
1 0.688964E+02 0.406431E-01
2 0.105994E+02 0.500000E+00
P 1
1 0.217334E+01 1.0000000
P 1
1 0.448707E+00 1.0000000
P 1
1 0.89029E-01 1.0000000
NEON
S 4
1 0.401394E+06 0.886049E-04
2 0.160557E+05 0.399685E-02
3 0.128446E+04 0.689968E-01
4 0.194051E+03 0.500000E+00
S 1
1 0.437457E+02 1.0000000
S 1
1 0.117195E+02 1.0000000
S 1
1 0.947459E+00 1.0000000
S 1
1 0.21050E+00 1.0000000
P 2
1 0.867619E+02 0.402974E-01
2 0.133480E+02 0.500000E+00
P 1
1 0.275089E+01 1.0000000
P 1
1 0.564341E+00 1.0000000
P 1
1 0.11120E+00 1.0000000
ALUMINUM
S 6
1 0.205847E+07 0.673179E-05
2 0.823389E+05 0.302836E-03
3 0.658711E+04 0.532919E-02
4 0.990919E+03 0.417754E-01
5 0.225287E+03 0.188097E+00
6 0.628659E+02 0.500000E+00
S 7
1 0.205847E+07 0.347638E-05
2 0.823389E+05 0.157463E-03
3 0.658711E+04 0.274887E-02
4 0.990919E+03 0.222165E-01
5 0.225287E+03 0.103317E+00
6 0.628659E+02 0.343078E+00
7 0.194320E+02 0.500000E+00
S 1
1 0.362074E+01 1.0000000
S 1
1 0.122881E+01 1.0000000
S 1
1 0.120680E+00 1.0000000
S 1
1 0.28980E-01 1.0000000
P 3
1 0.470372E+03 0.498187E-02
2 0.723649E+02 0.833220E-01
3 0.165426E+02 0.500000E+00
P 2
1 0.482391E+01 0.500000E+00
2 0.143358E+01 0.458919E+00
P 1
1 0.276885E+00 1.0000000
P 1
1 0.698563E-01 1.0000000
P 1
1 0.16780E-01 1.0000000
SILICON
S 6
1 0.241969E+07 0.667155E-05
2 0.967877E+05 0.300129E-03
3 0.774301E+04 0.528194E-02
4 0.116473E+04 0.414336E-01
5 0.264821E+03 0.187015E+00
6 0.739675E+02 0.500000E+00
S 7
1 0.241969E+07 0.339561E-05
2 0.967877E+05 0.153752E-03
3 0.774301E+04 0.268532E-02
4 0.116473E+04 0.217054E-01
5 0.264821E+03 0.101287E+00
6 0.739675E+02 0.337589E+00
7 0.229125E+02 0.500000E+00
S 1
1 0.437414E+01 1.0000000
S 1
1 0.153907E+01 1.0000000
S 1
1 0.167749E+00 1.0000000
S 1
1 0.42730E-01 1.0000000
P 3
1 0.624520E+03 0.468394E-02
2 0.960800E+02 0.800629E-01
3 0.221500E+02 0.500000E+00
P 2
1 0.656300E+01 0.457523E+00
2 0.202500E+01 0.500000E+00
P 1
1 0.477800E+00 1.0000000
P 1
1 0.128240E+00 1.0000000
P 1
1 0.32666E-01 1.0000000
PHOSPHORUS
S 6
1 0.280963E+07 0.662016E-05
2 0.112385E+06 0.297792E-03
3 0.899080E+04 0.524165E-02
4 0.135236E+04 0.411387E-01
5 0.307498E+03 0.186102E+00
6 0.859408E+02 0.500000E+00
S 7
1 0.280963E+07 0.333087E-05
2 0.112385E+06 0.150794E-03
3 0.899080E+04 0.263469E-02
4 0.135236E+04 0.212973E-01
5 0.307498E+03 0.996746E-01
6 0.859408E+02 0.333446E+00
7 0.266714E+02 0.500000E+00
S 1
1 0.518810E+01 1.0000000
S 1
1 0.187780E+01 1.0000000
S 1
1 0.220100E+00 1.0000000
S 1
1 0.56069E-01 1.0000000
P 3
1 0.725670E+03 0.464506E-02
2 0.111642E+03 0.797233E-01
3 0.257839E+02 0.500000E+00
P 2
1 0.767250E+01 0.500000E+00
2 0.239958E+01 0.490193E+00
P 1
1 0.549434E+00 1.0000000
P 1
1 0.147479E+00 1.0000000
P 1
1 0.37569E-01 1.0000000
SULFUR
S 6
1 0.322806E+07 0.657749E-05
2 0.129122E+06 0.295881E-03
3 0.103298E+05 0.520846E-02
4 0.155372E+04 0.408944E-01
5 0.353302E+03 0.185345E+00
6 0.988050E+02 0.500000E+00
S 7
1 0.322806E+07 0.327819E-05
2 0.129122E+06 0.148404E-03
3 0.103298E+05 0.259357E-02
4 0.155372E+04 0.209689E-01
5 0.353302E+03 0.983499E-01
6 0.988050E+02 0.330197E+00
7 0.307160E+02 0.500000E+00
S 1
1 0.606325E+01 1.0000000
S 1
1 0.224749E+01 1.0000000
S 1
1 0.278535E+00 1.0000000
S 1
1 0.70749E-01 1.0000000
P 3
1 0.843459E+03 0.458827E-02
2 0.129763E+03 0.790930E-01
3 0.300246E+02 0.500000E+00
P 2
1 0.897333E+01 0.500000E+00
2 0.284402E+01 0.427041E+00
P 1
1 0.633607E+00 1.0000000
P 1
1 0.169552E+00 1.0000000
P 1
1 0.43067E-01 1.0000000
CHLORINE
S 6
1 0.367469E+07 0.654179E-05
2 0.146988E+06 0.294279E-03
3 0.117590E+05 0.518068E-02
4 0.176863E+04 0.406916E-01
5 0.402188E+03 0.184727E+00
6 0.112540E+03 0.500000E+00
S 7
1 0.367469E+07 0.323553E-05
2 0.146988E+06 0.146473E-03
3 0.117590E+05 0.256000E-02
4 0.176863E+04 0.207066E-01
5 0.402188E+03 0.972751E-01
6 0.112540E+03 0.327695E+00
7 0.350390E+02 0.500000E+00
S 1
1 0.699558E+01 1.0000000
S 1
1 0.264547E+01 1.0000000
S 1
1 0.341568E+00 1.0000000
S 1
1 0.86577E-01 1.0000000
P 3
1 0.979321E+03 0.452274E-02
2 0.150665E+03 0.783425E-01
3 0.349330E+02 0.500000E+00
P 2
1 0.104915E+02 0.500000E+00
2 0.337258E+01 0.400799E+00
P 1
1 0.759889E+00 1.0000000
P 1
1 0.202894E+00 1.0000000
P 1
1 0.51427E-01 1.0000000
ARGON
S 6
1 0.414912E+07 0.651250E-05
2 0.165965E+06 0.292914E-03
3 0.132772E+05 0.515730E-02
4 0.199692E+04 0.405205E-01
5 0.454119E+03 0.184199E+00
6 0.127136E+03 0.500000E+00
S 7
1 0.414912E+07 0.320116E-05
2 0.165965E+06 0.144906E-03
3 0.132772E+05 0.253251E-02
4 0.199692E+04 0.204930E-01
5 0.454119E+03 0.963934E-01
6 0.127136E+03 0.325778E+00
7 0.396371E+02 0.500000E+00
S 1
1 0.798167E+01 1.0000000
S 1
1 0.307062E+01 1.0000000
S 1
1 0.409083E+00 1.0000000
S 1
1 0.10390E+00 1.0000000
P 3
1 0.112602E+04 0.446529E-02
2 0.173234E+03 0.776707E-01
3 0.402385E+02 0.500000E+00
P 2
1 0.121389E+02 0.500000E+00
2 0.395271E+01 0.385197E+00
P 1
1 0.906259E+00 1.0000000
P 1
1 0.242517E+00 1.0000000
P 1
1 0.61600E-01 1.0000000
View Git Blame Copy Permalink