GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TSS30_S31 TSS30-S31_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23492
Program: Gaussian 09
Author: García, Cristina
Formula: C 22.0 H 29.0 Ag 1.0 Br 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 -1769.2040821 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.2684 7.9465 5.9718 12.3142

Quadrupole moment

XX YY ZZ XY XZ YZ
-168.7739 -196.8291 -207.7885 -7.1380 -10.7058 6.6681

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