| Reference Label | Details |
|---|---|
| Ruscic anh | B3LYP/6-311++G(3df,3pd) Opt(Z-matrix,VeryTight) Int(UltraFine) Freq(VibRot,Anharmonic,ReadISO) Symm(Loose), or some other DFT |
| est unc | estimated uncertainty |
| Khiri 2016 | D. Khiri, M. Hochlaf, and G. Chambaud, J. Phys. Chem. A 120, 59855992 (2016) Energetic Diagrams and Structural Properties of Monohaloacetylenes HC#CX (X = F, Cl, Br) |