GENERAL INFO

Title: Scan1b-trans
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/306
Program: Gaussian 09 EM64L-G09RevD.01
Author: González Fabra, Joan
Formula: C 37 H 46 Al 1 Cl 1 N 1 O 4
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: -1809.84386758 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.7334 5.9265 -12.5717 13.9179

Quadrupole moment

XX YY ZZ XY XZ YZ
-312.9407 -319.3692 -353.2600 -6.2845 -7.4099 17.5544

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