mirror of
https://github.com/pfloos/quack
synced 2024-11-08 23:23:59 +01:00
12 lines
634 B
Plaintext
12 lines
634 B
Plaintext
10
|
|
Maleimide,^1A_1,CC3,aug-cc-pVTZ
|
|
C 0.00000000 1.15016879 0.13317038
|
|
C 0.00000000 -1.15016879 0.13317038
|
|
C 0.00000000 0.66791856 -1.28160874
|
|
C 0.00000000 -0.66791856 -1.28160874
|
|
N 0.00000000 0.00000000 0.91200910
|
|
O 0.00000000 2.28979857 0.53524897
|
|
O 0.00000000 -2.28979857 0.53524897
|
|
H 0.00000000 0.00000000 1.91671213
|
|
H 0.00000000 1.34909216 -2.11477390
|
|
H 0.00000000 -1.34909216 -2.11477390 |