GENERAL INFO

Title: /clnanographene/c6h6/Cl1_c6h6 Cl1_c6h6
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490681
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C6H6Cl
Calculation type: Single point Structure
Method(s): - Grimme-D3(BJ)

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Frozen section

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -691.994545409 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.4352 0.0000 -0.0000 6.4352

Quadrupole moment

XX YY ZZ XY XZ YZ
-78.7154 -51.1009 -51.1014 -0.0000 0.0000 -0.0001

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