GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/AgI AgI_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23729
Program: Gaussian 09
Author: García, Cristina
Formula: Ag 1.0 I 1.0
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies


Energy Value Units
HF -157.2362653 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 -9.1384 9.1384

Quadrupole moment

XX YY ZZ XY XZ YZ
-40.1771 -40.1771 -32.4670 0.0000 0.0000 0.0000

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