GENERAL INFO

Title: /fluronapthalene/anion/Cl3F_isomer_20_1 Cl3F_isomer_20_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490841
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H5ClF3
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: -1142.86426006 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.7258 1.4815 -3.2732 9.4365

Quadrupole moment

XX YY ZZ XY XZ YZ
-139.5535 -96.8003 -95.6558 -9.7267 13.5111 1.8532

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