GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/S31 S31_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23546
Program: Gaussian 09
Author: García, Cristina
Formula: C 22.0 H 29.0 N 1.0 O 4.0 Rh 1.0 Si 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 -1610.19769 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
8.8205 0.4504 7.8966 11.8474

Quadrupole moment

XX YY ZZ XY XZ YZ
-144.9666 -155.9186 -172.0997 13.3562 9.4281 -0.1837

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