4
1
mirror of https://github.com/pfloos/quack synced 2024-06-01 19:05:27 +02:00
quack/mol/water.xyz
2020-10-12 14:30:00 +02:00

5 lines
209 B
Plaintext

3
Water,^1A_1,CC3,aug-cc-pVTZ
O 0.00000000 0.00000000 -0.06990256
H 0.00000000 0.75753241 0.51843495
H 0.00000000 -0.75753241 0.51843495