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

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Nitroxyl,^1A^\prime,CC3,aug-cc-pVTZ
O 0.11165478 0.00000000 1.14017824
N -0.23694895 0.00000000 -0.01899356
H 0.62529418 0.00000000 -0.62118467