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

All data (experiment and calculated) in the CCCBDB for ClONO2 (Chlorine nitrate)

INChI
InChI=1S/ClNO3/c1-5-2(3)4

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   252  
Energy 298.15K   8  
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   251  
HOMO-LUMO Energies HOMO energies   248  
Barriers to Internal Rotation internal rotation  13 
Geometries Cartesians  248  
Internal Coordinates bond lengths bond angles  248 
Products of moments of inertia moments of inertia x238x
Rotational Constants rotational constants x244x
Point Group  252 
Vibrations Vibrational Frequencies vibrations x243x
Vibrational Intensities  237 
Zero-point energies x243x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   156  
Dipole dipole x156x
Quadrupole quadrupole  153 
Polarizability polarizability  156 
Other results Spin   0  
Number of basis functions   25  
Diagnostics   0  
Conformations   1