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All data (experiment and calculated) in the CCCBDB for CCl2 (dichloromethylene)

1907021335
INChI
InChI=1S/CCl2/c2-1-3

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      
Enthalpy 0K enthalpy of formation x    
Energy 0K   317  
Energy 298.15K   311  
Atomization Enthalpy 298.15K x236x
Atomization Enthalpy 0K x239x
Entropy (298.15K) entropy x232x
Entropy at any temperature   232  
Integrated Heat Capacity integrated heat capacity x232x
Heat Capacity (Cp) Heat capacity x232x
Nuclear Repulsion Energy   248  
HOMO-LUMO Energies HOMO energies   244  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x241  
Internal Coordinates bond lengths bond angles x240x
Products of moments of inertia moments of inertia x248x
Rotational Constants rotational constants x253x
Point Group  253 
Vibrations Vibrational Frequencies vibrations fun. 248x
Vibrational Intensities  253 
Zero-point energies x248x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   162  
Dipole dipole  188 
Quadrupole quadrupole  179 
Polarizability polarizability  130 
Other results Spin   9  
Number of basis functions   67  
Conformations   1