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LCPQ
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quack
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f6270a0ba5
quack
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mol
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h2.xyz
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xyz files
2020-10-12 14:30:00 +02:00
2
fix print in CCSD
2021-11-06 14:36:54 +01:00
H 0. 0. 0.
CID and CISD
2022-01-04 11:39:33 +01:00
H 0. 0. 2.000000
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