GENERAL INFO

Title: XI_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23101
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 -3061.2202663 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.4683 1.0689 -2.6876 3.8024

Quadrupole moment

XX YY ZZ XY XZ YZ
-304.1661 -313.2883 -308.3017 -2.7793 11.1341 -8.5614

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