GENERAL INFO

Title: P5-b
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/195196
Program: Gaussian 16 ES64L-G16RevA.03
Author: Kojasoy, Volga
Formula:
Calculation type: Single point Structure
Method(s): RB3LYP

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
7.7020 -0.1451 -1.2994 7.8122

Quadrupole moment

XX YY ZZ XY XZ YZ
-101.5355 -80.8081 -86.3004 2.0713 4.3928 1.6549

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
7.7020 -0.1451 -1.2994 7.8122

Quadrupole moment

XX YY ZZ XY XZ YZ
-101.5355 -80.8081 -86.3004 2.0713 4.3928 1.6549

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