GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TSCH2 TSCH2_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23608
Program: Gaussian 09
Author: García, Cristina
Formula: C 24.0 H 33.0 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 -1688.7792449 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-13.1613 -9.3124 -1.0910 16.1596

Quadrupole moment

XX YY ZZ XY XZ YZ
-118.6725 -183.8406 -182.6915 19.1672 10.3364 -3.4811

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