GENERAL INFO

Title: /fluronapthalene/sp/6F_isomer_72 6F_isomer_72
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/491024
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H2F6
Calculation type: Single point Structure
Method(s): RMN15

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C2 NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -980.697398592 Eh

Energy Value Units
HF -980.6973986 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
-81.3910 -99.2887 -83.9900 -5.6642 0.0000 0.0000

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