GENERAL INFO

Title: /flurobenzene/anion/Cl0F_isomer_1 Cl0F_isomer_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490759
Program: Gaussian 16 ES64L-G16RevA.03
Author: Charapale, Omkar
Formula: C6H6Cl
Calculation type: Geometry optimization Minimum
Method(s): RHF - Grimme-D3(BJ)

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group C2 NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -691.979549490 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -11.8415 11.8415

Quadrupole moment

XX YY ZZ XY XZ YZ
-49.7260 -49.7259 -98.4531 -0.0002 0.0000 -0.0000

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