GENERAL INFO

Title: /fluronapthalene/anion/Cl6F_isomer_68_0 Cl6F_isomer_68_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490972
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: -1440.26854194 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.5537 0.6461 -10.5233 10.8480

Quadrupole moment

XX YY ZZ XY XZ YZ
-114.3753 -111.8546 -136.2454 -1.6535 -4.6202 3.0039

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