GENERAL INFO

Title: Scan4b-trans
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/544
Program: Gaussian 09 EM64L-G09RevD.01
Author: González Fabra, Joan
Formula: C 49 H 62 Al 1 Cl 1 N 1 O 9
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity: -1 1

Frozen section

JOB |

Energies

Energy Value Units
SCF Done: -2651.97964347 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
-14.7038 -46.6290 6.8149 49.3650

Quadrupole moment

XX YY ZZ XY XZ YZ
-460.9611 -887.6708 -412.1449 -135.1557 19.3898 61.4419

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