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

All data (experiment and calculated) in the CCCBDB for NO3+ (nitrogen trioxide 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   756  
Energy 298.15K   26  
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   754  
HOMO-LUMO Energies HOMO energies   754  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  754  
Internal Coordinates bond lengths bond angles  754 
Products of moments of inertia moments of inertia  734 
Rotational Constants rotational constants  754 
Point Group  755 
Vibrations Vibrational Frequencies vibrations  754 
Vibrational Intensities  702 
Zero-point energies  754 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   474  
Dipole dipole  434 
Quadrupole quadrupole  520 
Polarizability polarizability  340 
Other results Spin   0  
Number of basis functions   7  
Diagnostics   0  
Conformations   2 x