GENERAL INFO

Title: /fluronapthalene/anion/Cl7F_isomer_75_0 Cl7F_isomer_75_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490876
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: -1539.40158364 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.4360 0.3015 -10.4800 10.5822

Quadrupole moment

XX YY ZZ XY XZ YZ
-118.4263 -119.2809 -139.2212 5.2129 1.7681 -1.8708

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