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

All data (experiment and calculated) in the CCCBDB for N2O5 (Dinitrogen pentoxide)

Other names
Nitrogen pentoxide; nitric anhydride;

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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   83  
Energy 298.15K   55  
Atomization Enthalpy 298.15K x48x
Atomization Enthalpy 0K  50 
Entropy (298.15K) entropy x46x
Entropy at any temperature   46  
Integrated Heat Capacity integrated heat capacity  46 
Heat Capacity (Cp) Heat capacity  46 
Nuclear Repulsion Energy   81  
HOMO-LUMO Energies HOMO energies   80  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  79  
Internal Coordinates bond lengths bond angles  79 
Products of moments of inertia moments of inertia  75 
Rotational Constants rotational constants  81 
Point Group  82 
Vibrations Vibrational Frequencies vibrations x79x
Vibrational Intensities  79 
Zero-point energies  79 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   54  
Dipole dipole  53 
Quadrupole quadrupole  48 
Polarizability polarizability  55 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   2 x