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quack/mol/methanimine.xyz

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2020-10-12 14:30:00 +02:00
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Methanimine,^1A^\prime,CC3,aug-cc-pVTZ
C 0.05660421 0.00000000 0.58786894
N 0.05696070 0.00000000 -0.68622506
H -0.84213766 0.00000000 1.20280208
H 1.00795114 0.00000000 1.10806523
H -0.89936939 0.00000000 -1.03833820