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

All data (experiment and calculated) in the CCCBDB for NO3 (Nitrogen trioxide)

Other names
Nitrogen oxide; Nitrogen trioxide;
INChI
InChI=1/NO3/c2-1(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   243  
Energy 298.15K   207  
Atomization Enthalpy 298.15K x197x
Atomization Enthalpy 0K x204x
Entropy (298.15K) entropy x171x
Entropy at any temperature   171  
Integrated Heat Capacity integrated heat capacity x171x
Heat Capacity (Cp) Heat capacity x171x
Nuclear Repulsion Energy   221  
HOMO-LUMO Energies HOMO energies   91  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x207  
Internal Coordinates bond lengths bond angles x206x
Products of moments of inertia moments of inertia x214x
Rotational Constants rotational constants x220x
Point Group  222 
Vibrations Vibrational Frequencies vibrations x215x
Vibrational Intensities  212 
Zero-point energies x215x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   147  
Dipole dipole  146 
Quadrupole quadrupole  139 
Polarizability polarizability  147 
Other results Spin   195  
Number of basis functions   7  
Diagnostics   5  
Conformations   3 x