GENERAL INFO

Title: /fluronapthalene/anion/Cl2F_isomer_11_0 Cl2F_isomer_11_0
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490818
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C10H6ClF2
Calculation type: Single point Minimum
Method(s): - Grimme-D3(BJ)

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -1043.71172464 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.6685 -21.0163 -0.0000 21.0270

Quadrupole moment

XX YY ZZ XY XZ YZ
-87.1073 -200.0546 -88.0100 -12.0340 0.0000 0.0000

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