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

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Diazomethane,^1A_1,CC3,aug-cc-pVTZ
C 0.00000000 0.00000000 -1.22149978
N 0.00000000 0.00000000 0.07650786
N 0.00000000 0.00000000 1.21670126
H 0.00000000 0.95185857 -1.71597520
H 0.00000000 -0.95185857 -1.71597520
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Diazomethane,^1A^\prime,CC3,aug-cc-pVTZ
C 0.95360965 0.00000000 -0.54711349
N -0.00922733 0.00000000 0.44843717
N -1.19172700 0.00000000 0.28594082
H 1.98060759 0.00000000 -0.23482722
H 0.63562410 0.00000000 -1.57896028