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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   239  
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   233  
HOMO-LUMO Energies HOMO energies   233  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  233  
Internal Coordinates bond lengths bond angles  233 
Products of moments of inertia moments of inertia  225 
Rotational Constants rotational constants  232 
Point Group  234 
Vibrations Vibrational Frequencies vibrations x232x
Vibrational Intensities  220 
Zero-point energies x232x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   127  
Dipole dipole  138 
Quadrupole quadrupole  137 
Polarizability polarizability  140 
Other results Spin   231  
Number of basis functions   6  
Diagnostics   1  
Conformations   1