GENERAL INFO

Title: /NHEt2/NHEt2_Cs_3 NHEt2_Cs_3p
Browse item: https://iochem-bd.bsc.es:443/browse/handle/100/322385
Program: Gaussian 03 AM64L-G03RevD.02
Author: Pye, Cory
Formula: C4H11N
Calculation type: Single point Structure
Method(s):

ATOM INFO

Atomic coordinates [Å]

MOLECULAR INFO

Charge / Multiplicity:

JOB |

Energies

Energy Value Units
SCF Done: -209.769767813 Eh

Mulliken charges

Dipole moment (Debye)

Dipole moment

X Y Z Total
0.9030 -0.9410 0.0000 1.3041

Quadrupole moment

XX YY ZZ XY XZ YZ
-33.2629 -30.3686 -30.9460 0.5938 0.0000 0.0000

Report data Creative Commons License
This HTML file Creative Commons License