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

All data (experiment and calculated) in the CCCBDB for BCl (boron monochloride)

Other names
Boron monochloride; Chloroborane;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   275  
Energy 298.15K   243  
Atomization Enthalpy 298.15K x234x
Atomization Enthalpy 0K x248x
Entropy (298.15K) entropy x226x
Entropy at any temperature   226  
Integrated Heat Capacity integrated heat capacity x226x
Heat Capacity (Cp) Heat capacity x226x
Nuclear Repulsion Energy   237  
HOMO-LUMO Energies HOMO energies   223  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x212  
Internal Coordinates bond lengths bond angles x212x
Products of moments of inertia moments of inertia x215x
Rotational Constants rotational constants x219x
Point Group  222 
Vibrations Vibrational Frequencies vibrations x218x
Vibrational Intensities  198 
Zero-point energies x218x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   164  
Dipole dipole  155 
Quadrupole quadrupole  149 
Polarizability polarizability  143 
Other results Spin   13  
Number of basis functions   5  
Diagnostics   6  
Conformations   1