9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-18 19:32:20 +01:00
qp2/tests/input/hco.xyz

6 lines
120 B
Plaintext
Raw Normal View History

2019-01-25 11:39:31 +01:00
3
HCO Geo: Experiment Mult: 2 symmetry: 15
C 0.0 0.0 0.0
H 1.08 0.0 0.0
O -0.5899 1.0427 0.0