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

Isomers of FNO2

index Species CAS number Name Relative experimental enthalpy (kJ mol-1) sketch
a FONO 96607237 Nitrosyl hypofluorite   sketch of Nitrosyl hypofluorite
b FNO2 10022501 Nitryl fluoride 0.0 sketch of Nitryl fluoride
The calculated enthalpies include the calculated and scaled vibrational zero-point energy.
Methods with predefined basis sets
semi-empirical AM1 97.5 a
0.0 b
PM3 162.1 a
0.0 b
PM6 113.9 a
0.0 b
composite G1 152.2 a
0.0 b
G2MP2 154.4 a
0.0 b
G2 155.6 a
0.0 b
G3 157.9 a
0.0 b
G3B3 155.5 a
0.0 b
G4 156.0 a
0.0 b
CBS-Q 157.1 a
0.0 b

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.