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

All data (experiment and calculated) in the CCCBDB for CH3OCl (methyl hypochlorite)

INChI
InChI=1S/CH3ClO/c1-3-2/h1H3

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   253  
Energy 298.15K   7  
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   252  
HOMO-LUMO Energies HOMO energies   252  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x240  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia x234x
Rotational Constants rotational constants x239x
Point Group  253 
Vibrations Vibrational Frequencies vibrations  239 
Vibrational Intensities  227 
Zero-point energies  239 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   156  
Dipole dipole  156 
Quadrupole quadrupole  156 
Polarizability polarizability  146 
Other results Spin   0  
Number of basis functions   2  
Diagnostics   0  
Conformations   1