GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TSS24_S25 TSS24-S25_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23545
Program: Gaussian 09
Author: García, Cristina
Formula: C 23.0 H 32.0 I 1.0 N 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 -1511.005021 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-5.8295 -3.8601 -6.2257 9.3617

Quadrupole moment

XX YY ZZ XY XZ YZ
-158.9336 -184.3641 -193.5496 -1.6198 -1.1106 8.9268

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