QuAcK/mol/carbon_monoxide.xyz

mirror of https://github.com/pfloos/quack synced 2024-06-02 11:25:30 +02:00
2

C    0.00000000            0.00000000           -0.66116488
O    0.00000000            0.00000000            0.47237899
xyz files 2020-10-12 14:30:00 +02:00			`2`
safer but slower orthogonalization in pp-RPA 2021-10-21 22:40:20 +02:00
xyz files 2020-10-12 14:30:00 +02:00			`C 0.00000000 0.00000000 -0.66116488`
safer but slower orthogonalization in pp-RPA 2021-10-21 22:40:20 +02:00			`O 0.00000000 0.00000000 0.47237899`