GENERAL INFO

Title: /fluronapthalene/anion/Cl4F_isomer_42_0 Cl4F_isomer_42_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490966
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H4ClF4
Calculation type: Single point Structure
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: -1241.99897422 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.7057 4.0500 -3.3150 9.3150

Quadrupole moment

XX YY ZZ XY XZ YZ
-135.1045 -106.8645 -99.4006 6.9370 -11.9588 6.1700

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