10
0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-03 20:53:54 +01:00
QuantumPackage/tests/input/co2.xyz

6 lines
119 B
Plaintext
Raw Normal View History

2019-01-25 11:39:31 +01:00
3
CO2 Geo: Experiment Mult: 1 symmetry: 22
C 0.0 0.0 0.0
O 0.0 0.0 1.1621
O 0.0 0.0 -1.1621