GENERAL INFO

Title: /fluronapthalene/anion/Cl4F_isomer_29_1 Cl4F_isomer_29_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490897
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: -1241.99900184 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.3742 3.0773 -3.6518 7.9646

Quadrupole moment

XX YY ZZ XY XZ YZ
-138.1116 -108.0596 -99.5572 -11.4621 10.4923 8.5550

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