quantum_package/tests/input/h2o.xyz

mirror of https://github.com/LCPQ/quantum_package synced 2024-12-24 13:23:41 +01:00
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
Improved tests 2016-01-05 01:04:46 +01:00			`3`
			`XYZ file: coordinates in Angstrom`
			`O 0.0000000000 -0.3880000000 0.0000000000`
Working pseudo 2016-11-08 22:29:35 +01:00			`H 0.7510000000 0.1940000000 0.0000000000`
Improved tests 2016-01-05 01:04:46 +01:00			`H -0.7510000000 0.1940000000 0.0000000000`