GENERAL INFO

Title: o2
Browse item: https://iochem.udg.edu:8443/browse/handle/100/3746
Program: Gaussian 16 ES64L-G16RevA.03
Author: Besalú-Sala, Pau
Formula: O2
Calculation type: Single point Structure
Method(s): UHF

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 3

JOB |

Energies

Energy Value Units
SCF Done: -149.642278432 Eh

Energy Value Units
HF -149.6422784 Eh

Spin

S^2

S**2 before annihilation = 2.0464

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
-10.1911 -10.1911 -10.2772 0.0000 0.0000 0.0000

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