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quack/mol/nitrosomethane.xyz

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2020-10-12 14:30:00 +02:00
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Nitrosomethane,^1A^\prime,CC3,aug-cc-pVTZ
C -0.94419297 0.00000000 -0.56740524
N -0.00286683 0.00000000 0.57183096
O 1.15791903 0.00000000 0.22993880
H -0.40928669 0.00000000 -1.51564611
H -1.57415127 0.88267715 -0.45733920
H -1.57415127 -0.88267715 -0.45733920