GENERAL INFO

Title: Scan4b-cis
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/546
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: 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: -2652.00212889 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
-14.4993 -45.4538 6.8307 48.1969

Quadrupole moment

XX YY ZZ XY XZ YZ
-459.4094 -870.4070 -413.8357 -130.0294 17.7605 56.9329

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