mirror of
https://github.com/pfloos/quack
synced 2024-12-23 04:43:53 +01:00
25 lines
526 B
Plaintext
25 lines
526 B
Plaintext
UHF energy
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-85.160473883160819
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UHF HOMOa energy
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-0.501365804897699
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UHF HOMOb energy
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-0.501365804897702
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UHF LUMOa energy
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0.203278954950949
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UHF LUMOb energy
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0.203278954950948
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UHF dipole moment
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0.611349538338891
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UMP2 correlation energy
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-0.128988144318865
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UCIS singlet excitation energy
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0.310356023571988
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UCIS triplet excitation energy
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0.310356023571958
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phURPA correlation energy
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-0.138552809810790
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phURPAx correlation energy
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-0.197284981858218
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ppURPA correlation energy
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-0.103998858975444
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