Bak2000 atomisations
--------------------
Database of atomisations of closed-shell small-molecules

References
^^^^^^^^^^
| Bak et al., 2001: https://doi.org/10.1063/1.481544

Molecules
^^^^^^^^^
F2, energy = -0.06221672916792047
H2, energy = -0.17445822239408812
HF, energy = -0.2259227124165516
CH2, energy = -0.2883489255210644
HNO, energy = -0.3281280206805233
N2, energy = -0.3642278161536516
H2O, energy = -0.3714645339632046
CO, energy = -0.41390217071796254
H2O2, energy = -0.4292173508822851
NH3, energy = -0.4752923905360551
HCN, energy = -0.500000068657408
CH2O, energy = -0.5966788097941894
CO2, energy = -0.6217711765991029
C2H2, energy = -0.6466731034616595
CH4, energy = -0.6700934075726814
C2H4, energy = -0.8988079695441819
H, energy = 0.0
C, energy = 0.0
N, energy = 0.0
O, energy = 0.0
F, energy = 0.0

Reactions
^^^^^^^^^
| F2: F2 -> 2F (F2), energy = 0.06221672916792047
| H2: H2 -> 2H (H2), energy = 0.17445822239408812
| HF: HF -> H + F (HF), energy = 0.2259227124165516
| CH2: CH2 -> C + 2H (CH2), energy = 0.2883489255210644
| HNO: HNO -> H + N + O (HNO), energy = 0.3281280206805233
| N2: N2 -> 2N (N2), energy = 0.3642278161536516
| H2O: H2O -> 2H + O (H2O), energy = 0.3714645339632046
| CO: CO -> C + O (CO), energy = 0.41390217071796254
| H2O2: H2O2 -> 2H + 2O (H2O2), energy = 0.4292173508822851
| NH3: NH3 -> N + 3H (NH3), energy = 0.4752923905360551
| HCN: HCN -> H + C + N (HCN), energy = 0.500000068657408
| CH2O: CH2O -> C + 2H + O (CH2O), energy = 0.5966788097941894
| CO2: CO2 -> C + 2O (CO2), energy = 0.6217711765991029
| C2H2: C2H2 -> 2C + 2H (C2H2), energy = 0.6466731034616595
| CH4: CH4 -> C + 4H (CH4), energy = 0.6700934075726814
| C2H4: C2H4 -> 2C + 4H (C2H4), energy = 0.8988079695441819

Preamble
^^^^^^^^
angstrom