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quack/mol/formamide.xyz
2020-10-12 14:30:00 +02:00

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398 B
Plaintext

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Formamide,^1A^\prime,CC3,aug-cc-pVTZ
C 0.00096902 0.00000000 0.41970790
O 1.20026470 0.00000000 0.23240841
N -0.93604058 0.00000000 -0.56208803
H -0.44521509 0.00000000 1.42281192
H -0.64165073 0.00000000 -1.52189729
H -1.91365033 0.00000000 -0.34413091