GENERAL INFO

Title: /clnanographene/Cl4_c96h24.plan Cl4_c96h24.plan
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490728
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C96H24Cl
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 CS NOp 2

JOB |

Energies

Energy Value Units
SCF Done: -4128.37044021 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-40.2277 -0.0006 -0.0000 40.2277

Quadrupole moment

XX YY ZZ XY XZ YZ
-1021.6723 -501.0336 -567.3522 -0.0086 -0.0000 -0.0000

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