GENERAL INFO

Title: SI-TS-S-6a
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/198026
Program: Gaussian 09 AM64L-G09RevD.01
Author: Laconsay, Croix
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
-1.3853 3.9819 19.9646 20.4049

Quadrupole moment

XX YY ZZ XY XZ YZ
-430.2411 -472.0656 -475.5842 -6.0504 -2.8621 3.4239

Report data Creative Commons License
This HTML file Creative Commons License