GENERAL INFO

Title: /fluronapthalene/sp/4F_isomer_30 4F_isomer_30
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490941
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: -782.309877526 Eh

Energy Value Units
HF -782.3098775 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.4968 0.4111 0.0000 1.5522

Quadrupole moment

XX YY ZZ XY XZ YZ
-86.9598 -72.3892 -77.2768 -3.1544 0.0000 0.0000

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