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

All data (experiment and calculated) in the CCCBDB for NCl- (nitrogen monochloride anion)

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   276  
Energy 298.15K   11  
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   271  
HOMO-LUMO Energies HOMO energies   269  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  270  
Internal Coordinates bond lengths bond angles  270 
Products of moments of inertia moments of inertia  261 
Rotational Constants rotational constants  269 
Point Group  272 
Vibrations Vibrational Frequencies vibrations  268 
Vibrational Intensities  238 
Zero-point energies  268 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   147  
Dipole dipole  158 
Quadrupole quadrupole  156 
Polarizability polarizability  144 
Other results Spin   269  
Number of basis functions   6  
Diagnostics   1  
Conformations   1