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All data (experiment and calculated) in the CCCBDB for NO2- (Nitrogen dioxide anion)

1907021335
Other names
nitrite;
INChI
InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   271  
Energy 298.15K   260  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   259  
HOMO-LUMO Energies HOMO energies   262  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  261  
Internal Coordinates bond lengths bond angles  261 
Products of moments of inertia moments of inertia  258 
Rotational Constants rotational constants  262 
Point Group  263 
Vibrations Vibrational Frequencies vibrations  277 
Vibrational Intensities  287 
Zero-point energies  277 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   153  
Dipole dipole  175 
Quadrupole quadrupole  170 
Polarizability polarizability  178 
Other results Spin   5  
Number of basis functions   75  
Conformations   1