GENERAL INFO

Title: XVIII_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23048
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 -2982.311346 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
13.5098 1.1585 -4.5611 14.3060

Quadrupole moment

XX YY ZZ XY XZ YZ
-256.4646 -319.7053 -286.0474 17.4807 -17.2510 1.3780

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