GENERAL INFO

Title: SP_co
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/79251
Program: Gaussian 16 AM64L-G16RevA.03
Author: García-Padilla, Eduardo
Formula: CO
Calculation type: Single point Structure
Method(s): RB3LYP - Grimme-D3

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies

Energy Value Units
SCF Done: -113.348826597 Eh

Energy Value Units
HF -113.3488266 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0333 0.0000 0.0000 0.0333

Quadrupole moment

XX YY ZZ XY XZ YZ
-12.4461 -10.3331 -10.3331 0.0000 0.0000 -0.0000

Report data Creative Commons License
This HTML file Creative Commons License