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

All data (experiment and calculated) in the CCCBDB for CH2Br2 (dibromomethane)

Other names
Methylene dibromide; Dibromomethane; Methane, dibromo-; Methylene bromide;
INChI
InChI=1/CH2Br2/c2-1-3/h1H2

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   237  
Energy 298.15K   204  
Atomization Enthalpy 298.15K x192x
Atomization Enthalpy 0K x192x
Entropy (298.15K) entropy x186x
Entropy at any temperature   186  
Integrated Heat Capacity integrated heat capacity x186x
Heat Capacity (Cp) Heat capacity x186x
Nuclear Repulsion Energy   213  
HOMO-LUMO Energies HOMO energies   212  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  212  
Internal Coordinates bond lengths bond angles x212x
Products of moments of inertia moments of inertia x210x
Rotational Constants rotational constants x216x
Point Group  215 
Vibrations Vibrational Frequencies vibrations x214x
Vibrational Intensities  210 
Zero-point energies x214x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   135  
Dipole dipole x140x
Quadrupole quadrupole  135 
Polarizability polarizability  136 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1