GENERAL INFO

Title: C2h_trans_ethylene_dibromide
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/248691
Program: Gaussian 16 ES64L-G16RevA.03
Author: DeSnoo, William
Formula: C2H2Br2
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

Full point group
Full point group C2H NOp 4

JOB |

Energies

Energy Value Units
SCF Done: -5225.06535265 Eh

Energy Value Units
HF -5225.0653527 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0000 -0.0000 0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-45.6749 -48.4788 -49.8370 0.2914 0.0000 0.0000

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