Interaction of MeCH with MeCN
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H
Energy (without ZPE) and geometry optimization by DFT/PBE/L1 (cc-pVDZ) (PRIRODA program).
On figure below click on level title to download xyz file
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Click on energy level to view 3D structure (run jmol java-applet)
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IRC (concatenated xyz):
a-b
a-d
b--c
b-c
c-c
