GENERAL INFO

Title: /fluronapthalene/anion/Cl6F_isomer_65_0 Cl6F_isomer_65_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490922
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: -1440.27011849 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-16.2874 3.4675 0.6111 16.6636

Quadrupole moment

XX YY ZZ XY XZ YZ
-203.6688 -117.6883 -101.1247 24.6642 2.2130 -0.5920

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