GENERAL INFO

Title: /fluronapthalene/anion/Cl4F_isomer_39_1 Cl4F_isomer_39_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490850
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H4ClF4
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: -1242.00521424 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
7.2082 0.1981 -3.4927 8.0122

Quadrupole moment

XX YY ZZ XY XZ YZ
-133.8407 -105.9375 -100.0516 0.2233 14.3272 1.3305

Report data Creative Commons License
This HTML file Creative Commons License