9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-30 15:15:38 +01:00
qp2/tests/input/hcn.xyz
2019-01-25 11:39:31 +01:00

6 lines
117 B
Plaintext

3
HCN Geo: Experiment Mult: 1 symmetry: 14
C 0.0 0.0 0.0
H 0.0 0.0 1.064
N 0.0 0.0 -1.156