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

All data (experiment and calculated) in the CCCBDB for N2O+ (Nitrous oxide 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   271  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   266  
HOMO-LUMO Energies HOMO energies   265  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  264  
Internal Coordinates bond lengths bond angles  264 
Products of moments of inertia moments of inertia  256 
Rotational Constants rotational constants  264 
Point Group  267 
Vibrations Vibrational Frequencies vibrations  281 
Vibrational Intensities  250 
Zero-point energies  281 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   145  
Dipole dipole  156 
Quadrupole quadrupole  154 
Polarizability polarizability  142 
Other results Spin   258  
Number of basis functions   6  
Diagnostics   1  
Conformations   1