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

All data (experiment and calculated) in the CCCBDB for BHCl2 (Borane, dichloro-)

Other names
Borane, dichloro-; Dichloroborane;
INChI
InChI=1/BCl2H/c2-1-3/h1H

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   244  
Energy 298.15K   227  
Atomization Enthalpy 298.15K x220x
Atomization Enthalpy 0K x227x
Entropy (298.15K) entropy x207x
Entropy at any temperature   207  
Integrated Heat Capacity integrated heat capacity x207x
Heat Capacity (Cp) Heat capacity x207x
Nuclear Repulsion Energy   207  
HOMO-LUMO Energies HOMO energies   197  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x179  
Internal Coordinates bond lengths bond angles x179x
Products of moments of inertia moments of inertia  187 
Rotational Constants rotational constants  190 
Point Group  192 
Vibrations Vibrational Frequencies vibrations x187x
Vibrational Intensities  182 
Zero-point energies  187 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   158  
Dipole dipole  150 
Quadrupole quadrupole  147 
Polarizability polarizability  132 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   5  
Conformations   1