GENERAL INFO

Title: /bis-PEtAm2Ph2 bis-PEtAm2Ph2_Ci_2_1
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/452074
Program: Gaussian 03 AM64L-G03RevD.02
Author: Pye, Cory
Formula: C28H28N4P2
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Energy Value Units
SCF Done: -1952.48890794 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 0.0000 0.0000

Quadrupole moment

XX YY ZZ XY XZ YZ
-201.0290 -205.4155 -184.6746 0.9907 1.9380 2.5998

Report data Creative Commons License
This HTML file Creative Commons License