GENERAL INFO

Title: TSII_III_sp_basisset
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23093
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 -3022.8638391 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.1542 2.2708 -3.1900 4.0823

Quadrupole moment

XX YY ZZ XY XZ YZ
-308.2981 -302.6020 -304.2528 0.4663 5.5464 -1.9429

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