GENERAL INFO

Title: /fluronapthalene/4F_isomer_31 4F_isomer_31
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490792
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H4F4
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: -781.891165986 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.5234 0.7282 -0.0000 2.6264

Quadrupole moment

XX YY ZZ XY XZ YZ
-76.1178 -75.9892 -77.3823 4.2916 0.0000 0.0000

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