GENERAL INFO

Title: Int3b-cis
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/426
Program: Gaussian 09 EM64L-G09RevD.01
Author: González Fabra, Joan
Formula: C 75 H 92 Al 2 Cl 1 N 2 O 10
Calculation type: Geometry optimization Minimum
Method(s): RB97D3

ATOM INFO

Atomic coordinates [Å] (optimized)

MOLECULAR INFO

Charge / Multiplicity: -1 1

JOB |

Energies

Energy Value Units
SCF Done: -3793.33946291 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.1391 -26.2679 15.9084 30.7099

Quadrupole moment

XX YY ZZ XY XZ YZ
-603.6458 -741.9135 -701.9136 0.6452 -23.2874 102.4628

JOB |

Energies

Energy Value Units
SCF Done: -3793.33946291 Eh


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