GENERAL INFO

Title: TSVII_VIII_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23127
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 -3061.1927065 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
5.0480 15.8127 -1.1659 16.6398

Quadrupole moment

XX YY ZZ XY XZ YZ
-314.3110 -273.1134 -314.0050 22.2895 -2.5466 4.8206

Report data Creative Commons License
This HTML file Creative Commons License