GENERAL INFO

Title: /flurobenzene/anion/Cl3F_isomer_6 Cl3F_isomer_6
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490768
Program: Gaussian 16 ES64L-G16RevA.03
Author: Charapale, Omkar
Formula: C6H3ClF3
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: -989.429611435 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-14.4129 -0.0000 0.0001 14.4129

Quadrupole moment

XX YY ZZ XY XZ YZ
-155.0726 -69.0888 -66.8671 0.0000 0.0001 0.0000

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