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

1907021335
Other names
Borane, dichloro-; Dichloroborane;
INChI
InChI=1S/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   285  
Energy 298.15K   275  
Atomization Enthalpy 298.15K x210x
Atomization Enthalpy 0K x215x
Entropy (298.15K) entropy x198x
Entropy at any temperature   198  
Integrated Heat Capacity integrated heat capacity x198x
Heat Capacity (Cp) Heat capacity x198x
Nuclear Repulsion Energy   243  
HOMO-LUMO Energies HOMO energies   239  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x217  
Internal Coordinates bond lengths bond angles x216x
Products of moments of inertia moments of inertia  227 
Rotational Constants rotational constants  232 
Point Group  234 
Vibrations Vibrational Frequencies vibrations fun. 225x
Vibrational Intensities  233 
Zero-point energies  225 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   191  
Dipole dipole  187 
Quadrupole quadrupole  179 
Polarizability polarizability  170 
Other results Spin   0  
Number of basis functions   6  
Conformations   1