GENERAL INFO

Title: /fluronapthalene/anion/Cl4F_isomer_28_0 Cl4F_isomer_28_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490895
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H4ClF4
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: -1241.99874600 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
13.3624 -1.6983 0.0010 13.4699

Quadrupole moment

XX YY ZZ XY XZ YZ
-180.4875 -98.5038 -94.3896 0.3934 -0.0038 -0.0004

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