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QuAcK/mol/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.
level shift and proper guess
2022-02-02 15:06:51 +01:00
H 0. 0. 2.000000
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