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QuAcK/mol/nitromethyl.xyz
2020-10-12 14:30:00 +02:00

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Nitromethyl,^2B_1,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -1.36748442
N 0.00000000 0.00000000 0.04599858
O 0.00000000 -1.09389200 0.60907358
O 0.00000000 1.09389200 0.60907358
H 0.00000000 0.96128400 -1.84479843
H 0.00000000 -0.96128400 -1.84479843