Folders containing B3LYP and PBE optimizations of different stationary points along the reactions 1-5 in HCN liquid modeled using water PCM model with an adjusted epsilon of 144.8 (HCN @ 278 K) 

Number explanations:
2 - iminoacetonitrile
16-diiminopropanenitrile
17-triiminobutanenitrile
15-amino-imino-butanedinitrile
3-aminomalononitrile


TS:
B3LYP
PBE
README.txt

oligomers:
B3LYP
PBE
readme.txt

product-complexes:
B3LYP
PBE
readme.txt

reactant-complexes:
16_rc
2_rc
3_rc
readme.txt
