
Optimized structures  of oligomers in HCN liquid (water PCM, epsilon=144.8) with both the PBE and B3LYP functional, separated into 2 folders. 

B3LYP: B3LYP-D3/6-31+G(d,p)
AMN_I_solv.xyz
IANZ_solv.xyz
I_L_109_solv.xyz
n3_0_01.xyz
n3_0_11.xyz
n4_0_000.xyz
n4_0_111.xyz
readme.txt

PBE: PBE-D3/6-31G(d,p)
AMN_I.xyz
IANZ_solv.xyz
I_L_109.xyz
n3_0_01.xyz
n3_0_11.xyz
n4_0_000.xyz
n4_0_111.xyz
readme.txt
