GENERAL INFO

Title: /SP_PBEPBE_GD3MBJ M1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322000
Program: Gaussian 16 ES64L-G16RevC.01
Author: Ekeli, Jonas B.
Formula: C2H4
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: -78.5080834513 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-14.5013 -13.3186 -12.7440 1.3468 0.7973 -0.5211

JOB |

Energies

Energy Value Units
SCF Done: -78.5080834513 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.0000 -0.0000 -0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-14.5013 -13.3186 -12.7440 1.3468 0.7973 -0.5211

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