GENERAL INFO

Title: /flurobenzene/anion/Cl4F_isomer_9 Cl4F_isomer_9
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490774
Program: Gaussian 16 ES64L-G16RevA.03
Author: Charapale, Omkar
Formula: C6H2ClF4
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: -1088.57054721 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
13.5302 -0.0004 -0.0002 13.5302

Quadrupole moment

XX YY ZZ XY XZ YZ
-147.1929 -79.3841 -70.1684 0.0026 0.0005 0.0000

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