GENERAL INFO

Title: Scan3b-cis
Browse item: https://iochem-bd.iciq.es:443/browse/handle/100/466
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: 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: -3792.32560302 Eh

Dipole moment (Debye)

Dipole moment

X Y Z Total
-0.1474 -26.1085 16.1871 30.7196

Quadrupole moment

XX YY ZZ XY XZ YZ
-590.4978 -731.2254 -694.6545 -2.2974 -21.7589 101.1739

Report data Creative Commons License
This HTML file Creative Commons License