GENERAL INFO

Title: /fluronapthalene/anion/Cl7F_isomer_74_1 Cl7F_isomer_74_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490875
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10HClF7
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: -1539.40305042 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
13.7238 7.9133 -0.0008 15.8418

Quadrupole moment

XX YY ZZ XY XZ YZ
-184.4529 -144.8892 -104.3204 -35.3496 0.0025 0.0016

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