GENERAL INFO

Title: /fluronapthalene/sp/6F_isomer_69 6F_isomer_69
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490947
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 C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -980.691765601 Eh

Energy Value Units
HF -980.6917656 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.4910 0.0000 0.0000 2.4910

Quadrupole moment

XX YY ZZ XY XZ YZ
-80.4839 -97.3462 -84.0033 0.0000 0.0000 -0.0000

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