GENERAL INFO

Title: /fluronapthalene/anion/Cl5F_isomer_55_1 Cl5F_isomer_55_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490862
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H3ClF5
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: -1341.14009939 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.6089 1.7643 -3.8587 9.5977

Quadrupole moment

XX YY ZZ XY XZ YZ
-157.6525 -106.3122 -104.0224 -7.0491 13.9011 3.0363

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