GENERAL INFO

Title: /Gas-phase/HSE06 CO
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/477138
Program: Gaussian 16 ES64L-G16RevB.01
Author: Mates Torres, Eric
Formula: CO
Calculation type: Single point Structure
Method(s): RHSEH1PBE

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: -111.123376942 Eh

Energy Value Units
HF -111.1233769 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 0.1441 0.1441

Quadrupole moment

XX YY ZZ XY XZ YZ
-10.6825 -10.6825 -12.7291 -0.0000 -0.0000 -0.0000

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