Vibrational assignment, HOMO-LUMO and NBO analysis of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol by density functional theory

Geometry of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-y1]amino}ethyl)amino]butan-1-ol optimized at DFT/B3LYP/6-31G(d,p).