GENERAL INFO

Title: i80
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/193025
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
-8.4280 -0.3942 -2.8616 8.9093

Quadrupole moment

XX YY ZZ XY XZ YZ
-362.4198 -234.4132 -292.0718 -9.1126 -2.8388 -19.1984

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