GENERAL INFO

Title: /Gaussian_data_GGA HWO4
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/68850
Program: Gaussian 16 AM64L-G16RevA.03
Author: Benzidi, Hind
Formula: HO4W
Calculation type: Geometry optimization Minimum
Method(s): RwB97XD - Grimme-D2

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -369.353834700 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
5.3907 -1.1780 -0.0002 5.5179

Quadrupole moment

XX YY ZZ XY XZ YZ
-42.1909 -59.0946 -59.0064 -3.9802 -0.0018 0.0010

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