GENERAL INFO

Title: /fluronapthalene/sp/1F_isomer_2 1F_isomer_2
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/491025
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H7F
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 CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -484.715963077 Eh

Energy Value Units
HF -484.7159631 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.5912 0.0571 0.0000 1.5922

Quadrupole moment

XX YY ZZ XY XZ YZ
-63.5460 -54.6598 -67.2810 1.1566 0.0000 0.0000

Report data Creative Commons License
This HTML file Creative Commons License