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

All data (experiment and calculated) in the CCCBDB for NCl+ (nitrogen monochloride cation)

INChI
InChI=1S/ClN/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   269  
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   264  
HOMO-LUMO Energies HOMO energies   263  
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  257 
Rotational Constants rotational constants  264 
Point Group  265 
Vibrations Vibrational Frequencies vibrations  263 
Vibrational Intensities  229 
Zero-point energies  263 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   148  
Dipole dipole  153 
Quadrupole quadrupole  153 
Polarizability polarizability  138 
Other results Spin   262  
Number of basis functions   34  
Diagnostics   1  
Conformations   1