GENERAL INFO

Title: /fluronapthalene/anion/Cl3F_isomer_19_0 Cl3F_isomer_19_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490840
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: -1142.86021168 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-8.5834 1.6428 -3.6767 9.4812

Quadrupole moment

XX YY ZZ XY XZ YZ
-139.0173 -91.3027 -97.4291 6.9608 -12.9029 2.9969

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