GENERAL INFO

Title: /fluronapthalene/6F_isomer_68 6F_isomer_68
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490812
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H2F6
Calculation type: Geometry optimization Minimum
Method(s): RHF - Grimme-D3(BJ)

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -980.165785939 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.4881 -0.3936 -0.0000 1.5392

Quadrupole moment

XX YY ZZ XY XZ YZ
-89.4488 -91.2936 -84.0119 -2.0795 0.0000 -0.0000

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