GENERAL INFO

Title: /clnanographene/freq/c150h30/Cl3_c150h30 Cl3_c150h30
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/490723
Program: Gaussian 16 ES64L-G16RevC.02
Author: Charapale, Omkar
Formula: C150H30Cl
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 C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -6187.38211030 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
10.4399 -0.0307 -9.3513 14.0157

Quadrupole moment

XX YY ZZ XY XZ YZ
-867.7206 -816.3987 -904.3195 -0.0724 46.9218 0.0176

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