GENERAL INFO

Title: TSXIX_XX_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23034
Program: Gaussian 09
Author: García, Cristina
Formula: C 25.0 H 16.0 F 12.0 O 8.0 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 -2982.3045546 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-8.5921 6.2060 -6.2853 12.3225

Quadrupole moment

XX YY ZZ XY XZ YZ
-285.7502 -301.4748 -284.7897 -9.9917 10.5845 0.1577

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