GENERAL INFO

Title: /fluronapthalene/anion/Cl0F_isomer_1_0 Cl0F_isomer_1_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490827
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H8Cl
Calculation type: Geometry optimization Minimum
Method(s): RHF - Grimme-D3(BJ)

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -845.420919468 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-17.8916 0.0001 -0.0012 17.8916

Quadrupole moment

XX YY ZZ XY XZ YZ
-171.9058 -70.3843 -81.5066 0.0006 -0.0070 -0.0000

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