GENERAL INFO

Title: /fluronapthalene/5F_isomer_63 5F_isomer_63
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490810
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H3F5
Calculation type: Geometry optimization Minimum
Method(s): RHF - Grimme-D3(BJ)

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -881.028319737 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.2017 2.9597 0.0000 2.9666

Quadrupole moment

XX YY ZZ XY XZ YZ
-80.5111 -84.2529 -80.6738 2.8724 -0.0000 -0.0000

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