GENERAL INFO

Title: P6
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/195236
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
-0.1702 8.9902 -0.0654 8.9921

Quadrupole moment

XX YY ZZ XY XZ YZ
-50.5111 -97.6075 -117.9812 2.7233 0.3014 0.0640

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.1702 8.9902 -0.0654 8.9920

Quadrupole moment

XX YY ZZ XY XZ YZ
-50.5112 -97.6076 -117.9812 2.7233 0.3013 0.0640

Report data Creative Commons License
This HTML file Creative Commons License