GENERAL INFO

Title: /clnanographene/c6h6/sp/test/Cl4_c6h6 Cl4_c6h6
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490686
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C6H6Cl
Calculation type: Single point Structure
Method(s): RMN15

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -692.218769470 Eh

Energy Value Units
HF -692.2187695 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
12.2000 -0.0000 0.0000 12.2000

Quadrupole moment

XX YY ZZ XY XZ YZ
-99.0989 -50.7995 -50.8003 -0.0000 0.0000 0.0000

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