GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TSIV_V TSIV_V_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23531
Program: Gaussian 09
Author: García, Cristina
Formula: C 23.0 H 32.0 Br 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 -1512.7873072 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.2960 6.4745 -3.8587 9.8208

Quadrupole moment

XX YY ZZ XY XZ YZ
-150.6155 -176.7902 -193.9960 -2.5911 -1.8359 -4.4455

Report data Creative Commons License
This HTML file Creative Commons License