9
1
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-02 02:35:18 +02:00
qp2/tests/input/nh3.xyz
2019-01-25 11:39:31 +01:00

7 lines
164 B
Plaintext

4
NH3 Geo: Experiment Mult: 1 symmetry: 10
H 0.0 -0.9377 -0.3816
H 0.8121 0.4689 -0.3816
H -0.8121 0.4689 -0.3816
N 0.0 0.0 0.0