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QuantumPackage/data/basis/aug-pcj-0

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Initial commit
2019-01-25 11:39:31 +01:00
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
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S 1
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S 1
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HELIUM
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S 1
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S 1
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BORON
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2 0.379661E+04 0.406499E-02
3 0.303729E+03 0.701581E-01
4 0.458945E+02 0.500000E+00
S 1
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S 1
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S 1
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S 1
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P 2
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P 1
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P 1
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P 1
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CARBON
S 4
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3 0.446509E+03 0.697449E-01
4 0.674620E+02 0.500000E+00
S 1
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S 1
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S 1
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S 1
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P 2
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P 1
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P 1
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P 1
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NITROGEN
S 4
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2 0.769812E+04 0.402418E-02
3 0.615850E+03 0.694684E-01
4 0.930439E+02 0.500000E+00
S 1
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S 1
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S 1
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S 1
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P 2
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P 1
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P 1
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P 1
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OXYGEN
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4 0.122693E+03 0.500000E+00
S 1
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S 1
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S 1
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S 1
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P 2
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2 0.821779E+01 0.500000E+00
P 1
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P 1
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P 1
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FLUORINE
S 4
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4 0.156377E+03 0.500000E+00
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S 1
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S 1
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S 1
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P 2
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P 1
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P 1
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P 1
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NEON
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3 0.128446E+04 0.689968E-01
4 0.194051E+03 0.500000E+00
S 1
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S 1
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S 1
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S 1
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P 2
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P 1
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P 1
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P 1
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ALUMINUM
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4 0.990919E+03 0.417754E-01
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S 7
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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
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S 1
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S 1
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S 1
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P 3
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2 0.723649E+02 0.833220E-01
3 0.165426E+02 0.500000E+00
P 2
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P 1
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P 1
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P 1
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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
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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
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S 1
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S 1
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S 1
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P 3
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3 0.221500E+02 0.500000E+00
P 2
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P 1
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P 1
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P 1
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PHOSPHORUS
S 6
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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
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S 1
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S 1
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S 1
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P 3
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2 0.111642E+03 0.797233E-01
3 0.257839E+02 0.500000E+00
P 2
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2 0.239958E+01 0.490193E+00
P 1
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P 1
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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
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S 1
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S 1
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S 1
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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
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P 1
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P 1
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P 1
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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
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S 1
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S 1
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S 1
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P 3
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2 0.150665E+03 0.783425E-01
3 0.349330E+02 0.500000E+00
P 2
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P 1
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P 1
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P 1
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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
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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
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S 1
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S 1
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S 1
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P 3
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3 0.402385E+02 0.500000E+00
P 2
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P 1
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P 1
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P 1
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