GENERAL INFO

Title: /SP_PBEPBE_GD3MBJ M10
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322024
Program: Gaussian 16 ES64L-G16RevC.01
Author: Ekeli, Jonas B.
Formula: C18H33P
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: -1046.40369141 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0361 0.0017 1.3064 1.3069

Quadrupole moment

XX YY ZZ XY XZ YZ
-129.4480 -129.5535 -135.7700 0.2859 0.4960 -0.0496

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