GENERAL INFO

Title: /Paper/Outputs_Inputs_CGET/II II_spbs
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/23644
Program: Gaussian 09
Author: García, Cristina
Formula: C 14.0 H 15.0 N 1.0 O 4.0 Rh 1.0
Calculation type: Single point Structure
Method(s): RwB97XD

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 1 1

JOB |

Energies


Energy Value Units
HF -1007.4293748 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.5539 7.0801 3.4542 8.0296

Quadrupole moment

XX YY ZZ XY XZ YZ
-92.4265 -103.9483 -117.6220 -2.2744 -0.1597 -6.4419

Report data Creative Commons License
This HTML file Creative Commons License