GENERAL INFO

Title: Scan-b-cis
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/266
Program: Gaussian 09 EM64L-G09RevD.01
Author: González Fabra, Joan
Formula: C 38 H 46 Al 1 Cl 1 N 1 O 6
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: -1997.94164672 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
-10.2753 -42.5917 6.8701 44.3489

Quadrupole moment

XX YY ZZ XY XZ YZ
-338.4856 -696.9153 -349.9707 -96.0647 1.4556 49.7273

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