GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TSVIprima_S34 TSVIprima_S34_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23641
Program: Gaussian 09
Author: García, Cristina
Formula: C 22.0 H 19.0 Ag 1.0 Br 1.0 N 1.0 O 4.0 Rh 1.0
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies


Energy Value Units
HF -1473.6166707 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
7.5405 9.9686 -7.0447 14.3478

Quadrupole moment

XX YY ZZ XY XZ YZ
-141.5556 -177.9286 -186.2702 0.7337 -8.5533 -1.0073

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