GENERAL INFO

Title: /noDisp/complexes sin-nchrhh2o5
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/15516
Program: Gaussian 09 EM64L-G09RevD.01
Author: Besora, Maria
Formula: C 1 H 11 N 1 O 5 Rh 1
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 3 1

Full point group
Full point group C1 NOp 1

JOB |

Energies

Energy Value Units
SCF Done: -585.033107711 Eh

Energy Value Units
HF -585.0331077 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.7874 0.2962 0.2125 2.8111

Quadrupole moment

XX YY ZZ XY XZ YZ
2.7921 -20.1456 -16.8186 -1.2480 -1.0415 2.3790

Report data Creative Commons License
This HTML file Creative Commons License