GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/AgOAc AgOAc_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23612
Program: Gaussian 09
Author: García, Cristina
Formula: C 2.0 H 3.0 Ag 1.0 O 2.0
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 -374.2797006 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.5532 -0.0959 0.2738 5.5608

Quadrupole moment

XX YY ZZ XY XZ YZ
-31.0982 -49.5089 -40.2112 -0.2634 0.2103 -0.0103

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