GENERAL INFO

Title: /Dimer/Al_Me_Cl/Insertion/TS2/FAIL FAIL
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/1215
Program: Gaussian 09 EM64L-G09RevD.01
Author: González Fabra, Joan
Formula: C 61 H 70 Al 2 Cl 1 N 2 O 9
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

JOB |

Energies

Energy Value Units
SCF Done: -3171.60908992 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
23.1021 -6.3267 -14.9834 28.2531

Quadrupole moment

XX YY ZZ XY XZ YZ
-614.9025 -513.3343 -564.8553 28.3846 94.4720 -26.2798

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