GENERAL INFO

Title: /fluronapthalene/anion/Cl4F_isomer_29_0 Cl4F_isomer_29_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490845
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H4ClF4
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: -1242.00131880 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-14.0971 6.1616 0.0191 15.3848

Quadrupole moment

XX YY ZZ XY XZ YZ
-168.9794 -118.2813 -94.4070 31.1814 0.0627 -0.0402

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