4
1
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:35:36 +01:00
quack/mol/cyanoformaldehyde.xyz

7 lines
346 B
Plaintext
Raw Normal View History

2020-10-12 14:30:00 +02:00
5
Cyanoformaldehyde,^1A^\prime,CC3,aug-cc-pVTZ
C -0.48452250 0.00000000 -0.64836291
C -0.00577977 0.00000000 0.73832485
N 0.33957439 0.00000000 1.84587767
O 0.26900027 0.00000000 -1.58931955
H -1.57272638 0.00000000 -0.75442506