GENERAL INFO

Title: P6-b
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/195195
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
0.0523 7.8641 -0.0000 7.8643

Quadrupole moment

XX YY ZZ XY XZ YZ
-47.7127 -98.0118 -117.8485 -1.7955 0.0001 0.0002

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0523 7.8641 -0.0000 7.8643

Quadrupole moment

XX YY ZZ XY XZ YZ
-47.7127 -98.0117 -117.8485 -1.7955 0.0001 0.0002

Report data Creative Commons License
This HTML file Creative Commons License