mirror of
https://github.com/pfloos/quack
synced 2024-11-03 20:53:53 +01:00
15 lines
681 B
Plaintext
15 lines
681 B
Plaintext
|
5
|
||
|
|
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
|
||
|
|
|
||
|
|
5
|
||
|
|
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
|