GENERAL INFO

Title: III_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23028
Program: Gaussian 09
Author: García, Cristina
Formula: C 26.0 H 20.0 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 -3022.8813615 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-3.0722 4.2022 -0.8481 5.2741

Quadrupole moment

XX YY ZZ XY XZ YZ
-301.9629 -299.9501 -310.5997 -3.2342 2.0247 -0.5242

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