GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/S21 S21_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23618
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): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies


Energy Value Units
HF -1959.8570262 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
10.6090 8.7077 -3.3121 14.1190

Quadrupole moment

XX YY ZZ XY XZ YZ
-145.8318 -187.1402 -189.6693 3.3671 -7.3291 2.3387

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