GENERAL INFO

Title: /fluronapthalene/sp/4F_isomer_40 4F_isomer_40
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/491000
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H4F4
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: -782.309292633 Eh

Energy Value Units
HF -782.3092926 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.5673 0.4000 0.0000 1.6175

Quadrupole moment

XX YY ZZ XY XZ YZ
-67.5400 -85.3392 -77.2927 4.1144 0.0000 0.0000

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