GENERAL INFO

Title: /SP_PBEPBE_GD3MBJ M16
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322018
Program: Gaussian 16 ES64L-G16RevC.01
Author: Ekeli, Jonas B.
Formula: C21H24N2
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: -923.413063783 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
1.3762 0.0072 1.5679 2.0862

Quadrupole moment

XX YY ZZ XY XZ YZ
-134.7040 -121.2480 -135.8980 -1.2344 -3.9496 0.5295

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