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

All data (experiment and calculated) in the CCCBDB for ClNO (Nitrosyl chloride)

Other names
Nitrogen chloride oxide (NOCl); Nitrogen oxide chloride (NOCl); Nitrogen oxychloride; Nitrogen oxychloride (NOCl); Nitrosyl chloride; Nitrosyl chloride ((NO)Cl); UN 1069;
INChI
InChI=1/ClNO/c1-2-3

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 x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   263  
Energy 298.15K   222  
Atomization Enthalpy 298.15K x216x
Atomization Enthalpy 0K x226x
Entropy (298.15K) entropy x205x
Entropy at any temperature   205  
Integrated Heat Capacity integrated heat capacity x205x
Heat Capacity (Cp) Heat capacity x205x
Nuclear Repulsion Energy   226  
HOMO-LUMO Energies HOMO energies   219  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x199  
Internal Coordinates bond lengths bond angles x199x
Products of moments of inertia moments of inertia x207x
Rotational Constants rotational constants x212x
Point Group  213 
Vibrations Vibrational Frequencies vibrations x208x
Vibrational Intensities  200 
Zero-point energies x208x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   166  
Dipole dipole x164x
Quadrupole quadrupole  157 
Polarizability polarizability  142 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   5  
Conformations   1