GENERAL INFO

Title: /clnanographene/c24h12/Cl1_c24h12 Cl1_c24h12
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490688
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C24H12Cl
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 C6V NOp 12

JOB |

Energies

Energy Value Units
SCF Done: -1380.66103404 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -10.5448 10.5448

Quadrupole moment

XX YY ZZ XY XZ YZ
-146.0730 -146.0730 -202.7429 -0.0000 0.0000 0.0000

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