GENERAL INFO

Title: /fluronapthalene/anion/Cl6F_isomer_72_0 Cl6F_isomer_72_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490975
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H2ClF6
Calculation type: Geometry optimization Minimum
Method(s): RHF - Grimme-D3(BJ)

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: -1440.27124675 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-18.5647 3.9186 -0.0021 18.9737

Quadrupole moment

XX YY ZZ XY XZ YZ
-205.7701 -123.8888 -100.9494 16.3795 -0.0110 0.0018

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