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

All data (experiment and calculated) in the CCCBDB for PN+ (phosphorus nitride cation)

INChI
InChI=1S/NP/c1-2/q+1

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   230  
Energy 298.15K   10  
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   225  
HOMO-LUMO Energies HOMO energies   225  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  225  
Internal Coordinates bond lengths bond angles  225 
Products of moments of inertia moments of inertia  218 
Rotational Constants rotational constants  225 
Point Group  226 
Vibrations Vibrational Frequencies vibrations x225x
Vibrational Intensities  213 
Zero-point energies x225x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   129  
Dipole dipole  133 
Quadrupole quadrupole  134 
Polarizability polarizability  134 
Other results Spin   222  
Number of basis functions   33  
Diagnostics   1  
Conformations   1