GENERAL INFO

Title: /fluronapthalene/anion/Cl2F_isomer_9_0 Cl2F_isomer_9_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490836
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: -1043.70570562 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
15.7336 2.9913 0.0243 16.0154

Quadrupole moment

XX YY ZZ XY XZ YZ
-140.0708 -88.2115 -88.1264 -11.4142 -0.0856 -0.0417

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