GENERAL INFO

Title: 64
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/200870
Program: Gaussian 09 AM64L-G09RevD.01
Author: Laconsay, Croix
Formula:
Calculation type: Single point Structure
Method(s): RM062X

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.0110 -4.0597 -4.6094 8.5942

Quadrupole moment

XX YY ZZ XY XZ YZ
-82.5216 -85.6736 -92.1144 -8.7136 -5.7322 2.6204

JOB |

Energies


Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
6.4808 -4.0545 -4.6204 8.9324

Quadrupole moment

XX YY ZZ XY XZ YZ
-86.3798 -83.6293 -91.8354 -4.0170 -4.8142 3.6302

Report data Creative Commons License
This HTML file Creative Commons License