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qp2/tests/input/nh3.xyz
2019-01-25 11:39:31 +01:00

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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