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mirror of https://github.com/pfloos/quack synced 2024-11-04 13:13:51 +01:00
QuAcK/examples/basis.Be++.aug-cc-pvtz

55 lines
1.8 KiB
Plaintext

1 14
S 11
1 6.863000E+03 2.360000E-04
2 1.030000E+03 1.826000E-03
3 2.347000E+02 9.452000E-03
4 6.656000E+01 3.795700E-02
5 2.169000E+01 1.199650E-01
6 7.734000E+00 2.821620E-01
7 2.916000E+00 4.274040E-01
8 1.130000E+00 2.662780E-01
9 2.577000E-01 1.819300E-02
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11 4.409000E-02 1.903000E-03
S 11
1 6.863000E+03 -4.300000E-05
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3 2.347000E+02 -1.736000E-03
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5 2.169000E+01 -2.312600E-02
6 7.734000E+00 -5.813800E-02
7 2.916000E+00 -1.145560E-01
8 1.130000E+00 -1.359080E-01
9 2.577000E-01 2.280260E-01
10 1.101000E-01 5.774410E-01
11 4.409000E-02 3.178730E-01
S 1
1 2.577000E-01 1.000000E+00
S 1
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S 1
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P 5
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2 1.577000E+00 6.285400E-02
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4 1.438000E-01 5.236990E-01
5 4.994000E-02 3.534250E-01
P 1
1 1.438000E-01 1.000000E+00
P 1
1 4.994000E-02 1.000000E+00
P 1
1 9.300000E-03 1.000000E+00
D 1
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D 1
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D 1
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F 1
1 3.423000E-01 1.0000000
F 1
1 1.188000E-01 1.000000E+00