GENERAL INFO

Title: /Dimer/Al_H_I/RO/Int1/Frozen Frozen
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/1034
Program: Gaussian 09 EM64L-G09RevD.01
Author: González Fabra, Joan
Formula: C 48 H 46 Al 2 I 1 N 2 O 7
Calculation type: Geometry optimization Minimum
Method(s): RB97D3

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: -1 1

Frozen section

JOB |

Energies

Energy Value Units
SCF Done: -2507.88551951 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
25.8361 -7.9822 -16.8175 31.8441

Quadrupole moment

XX YY ZZ XY XZ YZ
-550.6266 -421.8777 -491.0333 42.5879 110.7880 -34.4099

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