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All data (experiment and calculated) in the CCCBDB for HNO2 (Nitrous acid)

1907021335
Other names
Kyselina dusite; Nitrosyl hydroxide; Nitrous acid; Nitrous acid, trans;
INChI
InChI=1S/HNO2/c2-1-3/h(H,2,3)

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   315  
Energy 298.15K   306  
Atomization Enthalpy 298.15K x242x
Atomization Enthalpy 0K x242x
Entropy (298.15K) entropy x210x
Entropy at any temperature   210  
Integrated Heat Capacity integrated heat capacity x210x
Heat Capacity (Cp) Heat capacity x207x
Nuclear Repulsion Energy   270  
HOMO-LUMO Energies HOMO energies   253  
Barriers to Internal Rotation internal rotation  425 
Geometries Cartesians x230  
Internal Coordinates bond lengths bond angles x229x
Products of moments of inertia moments of inertia x246x
Rotational Constants rotational constants x251x
Point Group  250 
Vibrations Vibrational Frequencies vibrations fun. 249x
Vibrational Intensities  253 
Zero-point energies x249x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   196  
Dipole dipole  196 
Quadrupole quadrupole  186 
Polarizability polarizability  177 
Other results Spin   9  
Number of basis functions   34  
Conformations   1