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

All data (experiment and calculated) in the CCCBDB for HNO3 (Nitric acid)

Other names
Acide nitrique; Acido nitrico; Aqua fortis; Azotic acid; Azotowy kwas; Hydrogen nitrate; Kyselina dusicne; NA 1760; Nitric Acid; Nitric acid fuming; Salpetersaure; Salpeterzuuroplossingen; UN 2031;
INChI
InChI=1/HNO3/c2-1(3)4/h(H,2,3,4)

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   260  
Energy 298.15K   227  
Atomization Enthalpy 298.15K x220x
Atomization Enthalpy 0K x221x
Entropy (298.15K) entropy x189x
Entropy at any temperature   189  
Integrated Heat Capacity integrated heat capacity x189x
Heat Capacity (Cp) Heat capacity x189x
Nuclear Repulsion Energy   219  
HOMO-LUMO Energies HOMO energies   214  
Barriers to Internal Rotation internal rotation  12 
Geometries Cartesians x189  
Internal Coordinates bond lengths bond angles x189x
Products of moments of inertia moments of inertia x206x
Rotational Constants rotational constants x211x
Point Group  211 
Vibrations Vibrational Frequencies vibrations x208x
Vibrational Intensities  203 
Zero-point energies x208x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   167  
Dipole dipole x169x
Quadrupole quadrupole  162 
Polarizability polarizability  143 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1