GENERAL INFO

Title: /fluronapthalene/sp/5F_isomer_51 5F_isomer_51
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/491047
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H3F5
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: -881.505504201 Eh

Energy Value Units
HF -881.5055042 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.9688 -0.8107 0.0000 2.1291

Quadrupole moment

XX YY ZZ XY XZ YZ
-89.4215 -81.0059 -80.6727 -1.4931 0.0000 0.0000

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