Conformers of diazaadamantan 13a

Methods of conformational anlysis: MM (Tinker scan + Marvin) — DFT (PRIRODA).
Energy (without ZPE) by DFT/PBE/L1 (cc-pVDZ) (PRIRODA program)

On figure(s) below click on the level title to download xyz file ==>
Click on energy level to view 3D structure in browser (run JSmol) ==>

0.00 0.00 0.08 0.08 0.19 0.19 0.22 0.22 1.55 1.55 1.62 1.62 2.89 2.89 3.13 3.13 3.17 3.17 3.34 3.34 3.49 3.49 3.66 3.66 3.73 3.73 4.28 4.28 4.41 4.41 5.13 5.13 5.20 5.20 5.22 5.22 5.23 5.23 7.03 7.03 7.93 7.93 8.13 8.13 9.89 9.89 10.29 10.29

Dihedrals of the conformers and transition states