GENERAL INFO

Title: CO2_m06
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/114299
Program: Gaussian 16 AM64L-G16RevA.03
Author: Li, Yingzi
Formula: CO2
Calculation type: Single point Structure
Method(s): RM06

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C*V NOp 4

JOB |

Energies

Energy Value Units
SCF Done: -188.585596138 Eh

Energy Value Units
HF -188.5855961 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-14.5849 -14.5849 -19.2846 0.0000 0.0000 0.0000

Report data Creative Commons License
This HTML file Creative Commons License