GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TSS20_S21 TSS20-S21_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23665
Program: Gaussian 09
Author: García, Cristina
Formula: C 23.0 H 32.0 Cl 1.0 N 1.0 O 2.0 Rh 1.0 Si 1.0
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies


Energy Value Units
HF -1959.815759 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-6.5916 7.0694 1.2650 9.7482

Quadrupole moment

XX YY ZZ XY XZ YZ
-148.1866 -174.9321 -192.2327 2.1432 -5.1833 -2.5464

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