10
1
mirror of https://github.com/pfloos/quack synced 2024-11-05 13:43:51 +01:00
QuAcK/mol/cyclopropenone.xyz
2020-10-12 14:30:00 +02:00

8 lines
398 B
Plaintext

6
Cyclopropenone,^1A_1,CC3,aug-cc-pVTZ
C 0.00000000 0.67465769 -0.98919371
C 0.00000000 -0.67465769 -0.98919371
C 0.00000000 0.00000000 0.27419081
O 0.00000000 0.00000000 1.47813364
H 0.00000000 1.54938521 -1.61758804
H 0.00000000 -1.54938521 -1.61758804