GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/KIE_110/I_Cp_star_110 I_Cp_star_110_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23686
Program: Gaussian 09
Author: García, Cristina
Formula: C 23.0 H 39.0 Br 1.0 O 2.0 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 -1462.4768865 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-8.3197 -3.6112 -2.7269 9.4707

Quadrupole moment

XX YY ZZ XY XZ YZ
-154.2199 -180.9639 -176.9670 5.7420 5.7657 -1.3107

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