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

All data (experiment and calculated) in the CCCBDB for HOONO2 (peroxy nitric acid)

INChI
InChI=1S/HNO4/c2-1(3)5-4/h4H

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   326  
Energy 298.15K   9  
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   327  
HOMO-LUMO Energies HOMO energies   321  
Barriers to Internal Rotation internal rotation  10 
Geometries Cartesians  321  
Internal Coordinates bond lengths bond angles  321 
Products of moments of inertia moments of inertia x313x
Rotational Constants rotational constants x320x
Point Group  328 
Vibrations Vibrational Frequencies vibrations x319x
Vibrational Intensities  293 
Zero-point energies  319 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   197  
Dipole dipole x261x
Quadrupole quadrupole  230 
Polarizability polarizability  197 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   0  
Conformations   1