mirror of
https://github.com/pfloos/quack
synced 2024-11-05 13:43:51 +01:00
13 lines
562 B
Plaintext
13 lines
562 B
Plaintext
|
4
|
||
|
|
Thioformaldehyde,^1A_1,CC3,aug-cc-pVTZ
|
||
|
|
C 0.00000000 0.00000000 -1.10427274
|
||
|
|
S 0.00000000 0.00000000 0.51463116
|
||
|
|
H 0.00000000 0.91895736 -1.67756323
|
||
|
|
H 0.00000000 -0.91895736 -1.67756323
|
||
|
|
|
||
|
|
4
|
||
|
|
Thioformaldehyde,^1A_1,CC3,aug-cc-pVTZ
|
||
|
|
C 0.00000000 0.00000000 -1.16554829
|
||
|
|
S 0.00000000 0.00000000 0.54355587
|
||
|
|
H 0.00000000 0.93470789 -1.70347110
|
||
|
|
H 0.00000000 -0.93470789 -1.70347110
|