GENERAL INFO

Title: /SP_PBEPBE_GD3MBJ M28
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322006
Program: Gaussian 16 ES64L-G16RevC.01
Author: Ekeli, Jonas B.
Formula: C23H29N
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: -947.808657057 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-2.1210 1.4523 -0.3268 2.5912

Quadrupole moment

XX YY ZZ XY XZ YZ
-142.9463 -147.3533 -142.4006 5.1721 -2.7100 3.8391

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