Gaussian16 optimizations of aminomalononitrile  conformers in water PCM model with adjusted epsilon of 144.8. 

AMN_I is the lowest energy conformer.

B3LYP: Optimizations at B3LYP-D3/6-31+G(d,p) level of theory 
PBE: Optimizations at PBE-D3/6-31G(d,p) level of theory 
