GENERAL INFO

Title: /fluronapthalene/anion/Cl3F_isomer_17_0 Cl3F_isomer_17_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490838
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H5ClF3
Calculation type: Single point Structure
Method(s): - Grimme-D3(BJ)

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -1142.85227707 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.3321 4.1096 -3.0587 9.7810

Quadrupole moment

XX YY ZZ XY XZ YZ
-122.7569 -97.7222 -96.3903 -5.5733 12.7017 4.5182

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