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I.B.3. (II.A.2.)

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

Other names
Kyselina dusite; Nitrosyl hydroxide; Nitrous acid; Nitrous acid, trans;
INChI
InChI=1/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   290  
Energy 298.15K   260  
Atomization Enthalpy 298.15K x252x
Atomization Enthalpy 0K x253x
Entropy (298.15K) entropy x218x
Entropy at any temperature   218  
Integrated Heat Capacity integrated heat capacity x218x
Heat Capacity (Cp) Heat capacity x215x
Nuclear Repulsion Energy   251  
HOMO-LUMO Energies HOMO energies   227  
Barriers to Internal Rotation internal rotation  17 
Geometries Cartesians x207  
Internal Coordinates bond lengths bond angles x207x
Products of moments of inertia moments of inertia x220x
Rotational Constants rotational constants x226x
Point Group  226 
Vibrations Vibrational Frequencies vibrations x225x
Vibrational Intensities  216 
Zero-point energies x225x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   180  
Dipole dipole  170 
Quadrupole quadrupole  162 
Polarizability polarizability  147 
Other results Spin   9  
Number of basis functions   8  
Diagnostics   5  
Conformations   1