GENERAL INFO

Title: /fluronapthalene/anion/Cl5F_isomer_56_1 Cl5F_isomer_56_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490913
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H3ClF5
Calculation type: Single point Minimum
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: -1341.13573719 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-6.3338 3.5095 -3.7121 8.1372

Quadrupole moment

XX YY ZZ XY XZ YZ
-139.4332 -115.9841 -104.2282 10.1285 -11.1443 7.4460

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