2020-08-26 18:48:34 +02:00
|
|
|
6
|
2020-09-27 16:41:49 +02:00
|
|
|
Nitrosomethane,^1A^\prime,CC3,aug-cc-pVTZ
|
2020-08-26 18:48:34 +02:00
|
|
|
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
|
|
|
|
|
|
|
|
|
|
6
|
2020-09-27 16:41:49 +02:00
|
|
|
Nitrosomethane,^1A^\prime,CC3,aug-cc-pVTZ
|
2020-08-26 18:48:34 +02:00
|
|
|
C 0.98589034 0.00000000 -0.56111355
|
|
|
|
|
N 0.00337982 0.00000000 0.54265012
|
|
|
|
|
O -1.20082518 0.00000000 0.25241483
|
|
|
|
|
H 1.97171497 0.00000000 -0.11162916
|
|
|
|
|
H 0.83869903 0.89412308 -1.16936112
|
|
|
|
|
H 0.83869903 -0.89412308 -1.16936112
|
