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

All data (experiment and calculated) in the CCCBDB for HNO2+ (nitrous acid cation)


An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation      
Enthalpy 0K enthalpy of formation      
Energy 0K   252  
Energy 298.15K   8  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   249  
HOMO-LUMO Energies HOMO energies   249  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  248  
Internal Coordinates bond lengths bond angles  248 
Products of moments of inertia moments of inertia  242 
Rotational Constants rotational constants  249 
Point Group  250 
Vibrations Vibrational Frequencies vibrations  264 
Vibrational Intensities  237 
Zero-point energies  264 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   140  
Dipole dipole  152 
Quadrupole quadrupole  150 
Polarizability polarizability  138 
Other results Spin   238  
Number of basis functions   8  
Diagnostics   0  
Conformations   1