GENERAL INFO

Title: /fluronapthalene/4F_isomer_46 4F_isomer_46
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490931
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: -781.891108505 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-86.6922 -68.7976 -77.3497 -7.9230 -0.0000 0.0000

Report data Creative Commons License
This HTML file Creative Commons License