GENERAL INFO

Title: /fluronapthalene/anion/Cl6F_isomer_69_1 Cl6F_isomer_69_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490973
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 CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -1440.27059090 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-4.9476 6.4357 -0.0000 8.1177

Quadrupole moment

XX YY ZZ XY XZ YZ
-113.5819 -144.3635 -119.4495 21.6913 0.0000 0.0000

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