GENERAL INFO

Title: /fluronapthalene/anion/Cl5F_isomer_53_1 Cl5F_isomer_53_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490860
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H3ClF5
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: -1341.13111865 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.5240 1.8308 -3.5133 9.3997

Quadrupole moment

XX YY ZZ XY XZ YZ
-155.7905 -112.2840 -102.3182 -10.3641 14.1916 2.5763

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