| 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 |
| Cafiero 2001 | M. Cafiero and L. Adamowicz, Chem. Phys. Lett. 335, 404-408 (2001) Simultaneous Optimization of Molecular Geometry and the Wave Function in a Basis of Singer's n-Electron Explicitly Correlated Gaussians |
| Pavanello 2009b | M. Pavanello, W.-C. Tung, and L. Adamowicz, J. Chem. Phys. 131, 184106/1-8 (2009) How to Calculate H3 Better |