GENERAL INFO

Title: /fluronapthalene/sp/2F_isomer_13 2F_isomer_13
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490978
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: -583.917634229 Eh

Energy Value Units
HF -583.9176342 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0000 -0.0000 0.5323 0.5323

Quadrupole moment

XX YY ZZ XY XZ YZ
-70.5765 -71.0174 -56.3536 0.0000 -0.0000 0.0000

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