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

All data (experiment and calculated) in the CCCBDB for B2Cl4 (Diboron tetrachloride)

Other names
Diboron tetrachloride; Dichloroborane; perchlorodiborane;
INChI
InChI=1/B2Cl4/c3-1(4)2(5)6

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   206  
Energy 298.15K   173  
Atomization Enthalpy 298.15K x169x
Atomization Enthalpy 0K x172x
Entropy (298.15K) entropy x168x
Entropy at any temperature   168  
Integrated Heat Capacity integrated heat capacity x168x
Heat Capacity (Cp) Heat capacity x168x
Nuclear Repulsion Energy   189  
HOMO-LUMO Energies HOMO energies   176  
Barriers to Internal Rotation internal rotation x10x
Geometries Cartesians x171  
Internal Coordinates bond lengths bond angles x171x
Products of moments of inertia moments of inertia  180 
Rotational Constants rotational constants  183 
Point Group  187 
Vibrations Vibrational Frequencies vibrations x181x
Vibrational Intensities  181 
Zero-point energies  181 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   151  
Dipole dipole x155x
Quadrupole quadrupole  150 
Polarizability polarizability  137 
Other results Spin   0  
Number of basis functions   5  
Diagnostics   4  
Conformations   2 x