GENERAL INFO

Title: /fluronapthalene/anion/Cl2F_isomer_10_1 Cl2F_isomer_10_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490830
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: -1043.71029472 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-18.4377 -2.7528 0.0004 18.6421

Quadrupole moment

XX YY ZZ XY XZ YZ
-208.9030 -81.6515 -87.9254 -0.4533 0.0023 0.0003

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