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Relative enthalpies of isomers - Comparison of 298.15K enthalpies (kJ mol-1)

Isomers of HN2O

index Species CAS number Name Relative experimental enthalpy (kJ mol-1) sketch
a NNOH+ 76412549 Nitrous Oxide, O-protonated   sketch of Nitrous Oxide, O-protonated
b HNNO+ 107190772 Nitrous oxide, N-protonated   sketch of Nitrous oxide, N-protonated
The calculated enthalpies include the calculated and scaled vibrational zero-point energy.
Methods with predefined basis sets
semi-empirical AM1 1078.0 a
1116.8 b
PM3 1077.0 a
1068.4 b
PM6 1083.0 a
1043.8 b
composite G1 NC
NC
G2MP2 NC
NC
G2 NC
NC
G3 NC
NC
G3B3 NC
NC
G4 NC
NC
CBS-Q NC
NC

Methods with standard basis sets
NC = not calculated
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.
gaw refers to the group additivity method implemeted in the NIST Chemistry Webbook.
See section Calculated; Vibrations; Scale Factors; Scale factors to list vibrational scaling factors.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to calculate a vibrational scaling factor for a given set of molecules.