GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/TSVI_VII TSVI_VII_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23632
Program: Gaussian 09
Author: García, Cristina
Formula: C 25.0 H 35.0 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 -1887.1306866 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-7.0350 6.5318 7.6807 12.2943

Quadrupole moment

XX YY ZZ XY XZ YZ
-194.6335 -218.2167 -222.7638 -5.3226 -17.8213 7.4635

Report data Creative Commons License
This HTML file Creative Commons License