GENERAL INFO

Title: /SP_PBEPBE_GD3MBJ M20
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322014
Program: Gaussian 16 ES64L-G16RevC.01
Author: Ekeli, Jonas B.
Formula: C24H30Cl2N2Ru
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: -2056.07392374 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-1.8056 0.5889 -1.9066 2.6911

Quadrupole moment

XX YY ZZ XY XZ YZ
-176.9812 -206.9266 -180.7266 -12.7991 4.7268 -4.4375

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