GENERAL INFO

Title: TSVII_IX_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23068
Program: Gaussian 09
Author: García, Cristina
Formula: C 25.0 H 22.0 F 12.0 O 9.0 Rh 2.0
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies


Energy Value Units
HF -3061.1961144 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.9633 7.4308 1.6966 7.8709

Quadrupole moment

XX YY ZZ XY XZ YZ
-318.7918 -296.3908 -304.3191 10.7847 0.9491 2.3581

Report data Creative Commons License
This HTML file Creative Commons License