GENERAL INFO

Title: /fluronapthalene/5F_isomer_52 5F_isomer_52
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490803
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: -881.028867702 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.4645 -1.0242 -0.0000 2.6689

Quadrupole moment

XX YY ZZ XY XZ YZ
-77.6521 -86.7158 -80.6765 1.6463 0.0000 0.0000

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