GENERAL INFO

Title: /SP_PBEPBE_GD3MBJ M32
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322002
Program: Gaussian 16 ES64L-G16RevC.01
Author: Ekeli, Jonas B.
Formula: C26H35Cl2NRu
Calculation type: Single point Structure
Method(s): RPBEPBE - Grimme-D3(BJ)

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: 0 1

JOB |

Energies

Energy Value Units
SCF Done: -2080.47121742 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.7363 -1.6250 1.4079 2.7636

Quadrupole moment

XX YY ZZ XY XZ YZ
-210.7524 -206.4030 -211.1485 -5.0456 6.0333 3.6042

Report data Creative Commons License
This HTML file Creative Commons License