GENERAL INFO

Title: /fluronapthalene/sp/2F_isomer_12 2F_isomer_12
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490935
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H6F2
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 C2 NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -583.918767117 Eh

Energy Value Units
HF -583.9187671 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
-56.6388 -70.8418 -70.6157 -3.7315 -0.0000 -0.0000

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