QuAcK/mol/nitroxyl.xyz

mirror of https://github.com/pfloos/quack synced 2024-12-23 12:55:25 +01:00
3

O    0.11165478            0.00000000            1.14017824
N   -0.23694895            0.00000000           -0.01899356
H    0.62529418            0.00000000           -0.62118467
xyz files 2020-10-12 14:30:00 +02:00			`3`
clean up basis sets 2020-10-26 14:52:11 +01:00
xyz files 2020-10-12 14:30:00 +02:00			`O 0.11165478 0.00000000 1.14017824`
			`N -0.23694895 0.00000000 -0.01899356`
clean up basis sets 2020-10-26 14:52:11 +01:00			`H 0.62529418 0.00000000 -0.62118467`