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QuAcK/mol/carbon_monoxide.xyz

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xyz files
2020-10-12 14:30:00 +02:00
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safer but slower orthogonalization in pp-RPA
2021-10-21 22:40:20 +02:00
xyz files
2020-10-12 14:30:00 +02:00
C 0.00000000 0.00000000 -0.66116488
safer but slower orthogonalization in pp-RPA
2021-10-21 22:40:20 +02:00
O 0.00000000 0.00000000 0.47237899
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