Assignment2

Assignment 2 [|Assignment2_Results.pdf]

Structure For the following molecules use the listed methods to compute the geometry

Method C-C C-N C-O C-N+ N+-O
Mndo AM1 STO-3G HF-6-31G HF/6311-G* DFT/B3LYP/6-31G DFT/B3LYP/6311G* Experimental

Energetics
Using the same methods as above compute the relative energies of the two species