GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/VII VII_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23557
Program: Gaussian 09
Author: García, Cristina
Formula: C 25.0 H 35.0 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 -1728.1343177 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-11.4811 0.7632 -6.7962 13.3636

Quadrupole moment

XX YY ZZ XY XZ YZ
-156.7080 -175.7090 -191.3550 -10.8673 11.2150 -3.0584

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