GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/AgBr AgBr_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23656
Program: Gaussian 09
Author: García, Cristina
Formula: Ag 1.0 Br 1.0
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies


Energy Value Units
HF -159.0126885 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 8.0629 8.0629

Quadrupole moment

XX YY ZZ XY XZ YZ
-34.5313 -34.5313 -31.6886 0.0000 0.0000 0.0000

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