GENERAL INFO

Title: /SP_PBEPBE_GD3MBJ M26
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322008
Program: Gaussian 16 ES64L-G16RevC.01
Author: Ekeli, Jonas B.
Formula: C24H32Cl2N2Ru
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: -2057.26850497 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.1439 1.9348 -1.6020 2.7601

Quadrupole moment

XX YY ZZ XY XZ YZ
-201.7983 -202.2777 -189.1195 -11.5995 -1.1516 -1.3390

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