GENERAL INFO

Title: /fluronapthalene/anion/Cl3F_isomer_24_1 Cl3F_isomer_24_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490891
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H5ClF3
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: -1142.85821694 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
7.8317 4.4343 -2.7841 9.4207

Quadrupole moment

XX YY ZZ XY XZ YZ
-133.4220 -101.8224 -94.4485 -9.4232 12.5209 5.4078

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