GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TSCH2_Inter TSCH2_Inter_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23658
Program: Gaussian 09
Author: García, Cristina
Formula: C 26.0 H 36.0 N 1.0 O 6.0 Rh 1.0 Si 1.0
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 -1917.4149956 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.4581 -15.0977 4.8200 17.1138

Quadrupole moment

XX YY ZZ XY XZ YZ
-244.7655 -228.7827 -212.1123 21.4069 0.9186 2.1048

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