GENERAL INFO

Title: /fluronapthalene/anion/Cl2F_isomer_7_0 Cl2F_isomer_7_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490952
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H6ClF2
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: -1043.71787545 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.4548 5.2492 2.5917 8.0016

Quadrupole moment

XX YY ZZ XY XZ YZ
-116.3270 -99.1584 -90.1176 7.9586 8.1022 -10.7546

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