GENERAL INFO

Title: /Dimer/Al_H_I/Insertion/TS3/FAIL FAIL
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/1047
Program: Gaussian 09 EM64L-G09RevD.01
Author: González Fabra, Joan
Formula: C 49 H 46 Al 2 I 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: -2696.42361005 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
18.2442 -6.6582 -15.2586 24.6983

Quadrupole moment

XX YY ZZ XY XZ YZ
-504.8647 -424.5392 -489.2859 28.5529 79.4975 -24.9068

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