10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 21:03:56 +01:00
quantum_package/tests/input/h2o.xyz
2016-11-08 15:29:35 -06:00

7 lines
241 B
Plaintext

3
XYZ file: coordinates in Angstrom
O 0.0000000000 -0.3880000000 0.0000000000
H 0.7510000000 0.1940000000 0.0000000000
H -0.7510000000 0.1940000000 0.0000000000