GENERAL INFO

Title: /SP_PBEPBE_GD3MBJ M21
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322013
Program: Gaussian 16 ES64L-G16RevC.01
Author: Ekeli, Jonas B.
Formula: C26H34Cl2N2Ru
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: -2134.65775843 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.3195 -0.4203 1.9882 2.0571

Quadrupole moment

XX YY ZZ XY XZ YZ
-221.3813 -202.1891 -202.5286 16.2550 1.0624 2.1418

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