GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/S22 S22_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23510
Program: Gaussian 09
Author: García, Cristina
Formula: C 25.0 H 35.0 Ag 1.0 Cl 1.0 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 -2334.1726876 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-6.6465 -3.4411 6.8317 10.1336

Quadrupole moment

XX YY ZZ XY XZ YZ
-191.2344 -229.0566 -218.5071 10.5824 -13.5353 3.6601

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