GENERAL INFO

Title: /fluronapthalene/sp/0F_isomer_1 0F_isomer_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490949
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H8
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 D2H NOp 8

JOB |

Energies

Energy Value Units
SCF Done: -385.512973782 Eh

Energy Value Units
HF -385.5129738 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
-63.9862 -52.3049 -51.9459 0.0000 -0.0000 0.0000

Report data Creative Commons License
This HTML file Creative Commons License