GENERAL INFO

Title: i101
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/193004
Program: Gaussian 09 ES64L-G09RevD.01
Author: Galvao, Tiago
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
-0.0219 -0.0221 0.0206 0.0373

Quadrupole moment

XX YY ZZ XY XZ YZ
-251.1370 -270.3587 -258.9168 10.5017 0.1410 0.5236

Report data Creative Commons License
This HTML file Creative Commons License