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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;
INChI
InChI=1/N2O5/c3-1(4)7-2(5)6InChI=1/N2O5/c3-1(4)7-2(5)6

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      
Energy 0K   64  
Energy 298.15K   51  
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   62  
HOMO-LUMO Energies HOMO energies   61  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  60  
Internal Coordinates bond lengths bond angles  60 
Products of moments of inertia moments of inertia  60 
Rotational Constants rotational constants  62 
Point Group  63 
Vibrations Vibrational Frequencies vibrations x62x
Vibrational Intensities  62 
Zero-point energies  62 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   45  
Dipole dipole  45 
Quadrupole quadrupole  45 
Polarizability polarizability  46 
Other results Spin   0  
Number of basis functions   22  
Diagnostics   0  
Conformations   2 x