GENERAL INFO

Title: /flurobenzene/anion/Cl4F_isomer_11 Cl4F_isomer_11
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490773
Program: Gaussian 16 ES64L-G16RevA.03
Author: Charapale, Omkar
Formula: C6H2ClF4
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: -1088.56092655 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 -0.0000 -10.8694 10.8694

Quadrupole moment

XX YY ZZ XY XZ YZ
-82.9969 -67.8198 -105.5047 -0.0011 0.0000 0.0000

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