GENERAL INFO

Title: /fluronapthalene/anion/Cl8F_isomer_76_0 Cl8F_isomer_76_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490926
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10ClF8
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 C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -1638.53594923 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0022 0.0005 -10.4145 10.4145

Quadrupole moment

XX YY ZZ XY XZ YZ
-127.8328 -125.3147 -141.9705 0.0001 -0.0071 0.0015

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