GENERAL INFO

Title: /fluronapthalene/anion/Cl4F_isomer_28_1 Cl4F_isomer_28_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490896
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H4ClF4
Calculation type: Single point Minimum
Method(s): - Grimme-D3(BJ)

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -1241.99325717 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.4318 1.2369 -3.5277 9.2233

Quadrupole moment

XX YY ZZ XY XZ YZ
-154.4020 -102.2769 -98.6954 -11.0954 13.5403 3.4602

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