GENERAL INFO

Title: /fluronapthalene/anion/Cl4F_isomer_41_0 Cl4F_isomer_41_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490851
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: -1242.00578034 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.4796 2.6569 -3.4832 9.5444

Quadrupole moment

XX YY ZZ XY XZ YZ
-140.2868 -103.8394 -100.1020 -5.7343 13.1943 3.9059

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