GENERAL INFO

Title: /clnanographene/Cl6_c96h24.plan Cl6_c96h24.plan
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490680
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: -4128.37845163 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-32.3333 -13.1426 -0.0000 34.9023

Quadrupole moment

XX YY ZZ XY XZ YZ
-878.6890 -569.3531 -567.3544 -146.9329 0.0000 -0.0000

Report data Creative Commons License
This HTML file Creative Commons License