GENERAL INFO

Title: /bis-PEtAm2 bis-PEtAm2_C2_4_4
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/451991
Program: Gaussian 03 AM64L-G03RevD.02
Author: Pye, Cory
Formula: C4H12N4P2
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Energy Value Units
SCF Done: -1061.35075560 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.0000 0.0000 1.0020 1.0020

Quadrupole moment

XX YY ZZ XY XZ YZ
-62.1989 -69.9735 -75.9491 -8.1815 0.0000 0.0000

Report data Creative Commons License
This HTML file Creative Commons License