GENERAL INFO

Title: /SP_PBEPBE_GD3MBJ M22
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322012
Program: Gaussian 16 ES64L-G16RevC.01
Author: Ekeli, Jonas B.
Formula: C21H26N2
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: -924.605799751 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
2.4881 0.0403 -0.0131 2.4885

Quadrupole moment

XX YY ZZ XY XZ YZ
-139.2993 -128.4006 -133.7312 -0.1731 0.0293 0.5545

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