GENERAL INFO

Title: /fluronapthalene/anion/Cl6F_isomer_64_0 Cl6F_isomer_64_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490921
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H2ClF6
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: -1440.28074218 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0084 13.1752 -0.0004 13.1752

Quadrupole moment

XX YY ZZ XY XZ YZ
-123.1169 -185.5196 -100.8806 0.0397 -0.0002 0.0009

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