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

All data (experiment and calculated) in the CCCBDB for N2O3 (Dinitrogen trioxide)

Other names
Dinitrogen trioxide; Nitrogen oxide; Nitrogen oxide (N2O3); Nitrogen trioxide;

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 x    
Energy 0K   244  
Energy 298.15K   207  
Atomization Enthalpy 298.15K x197x
Atomization Enthalpy 0K x196x
Entropy (298.15K) entropy x201x
Entropy at any temperature   201  
Integrated Heat Capacity integrated heat capacity x201x
Heat Capacity (Cp) Heat capacity x201x
Nuclear Repulsion Energy   235  
HOMO-LUMO Energies HOMO energies   230  
Barriers to Internal Rotation internal rotation  15 
Geometries Cartesians x231  
Internal Coordinates bond lengths bond angles x230x
Products of moments of inertia moments of inertia x229x
Rotational Constants rotational constants x236x
Point Group  237 
Vibrations Vibrational Frequencies vibrations x235x
Vibrational Intensities  224 
Zero-point energies x235x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   143  
Dipole dipole x149x
Quadrupole quadrupole  145 
Polarizability polarizability  145 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1