GENERAL INFO

Title: XIV_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23123
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 -3061.2353749 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.4601 -2.1740 -3.1219 4.0748

Quadrupole moment

XX YY ZZ XY XZ YZ
-305.3017 -311.8349 -296.5227 -1.0028 -5.0531 14.6080

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