National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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

All data (experiment and calculated) in the CCCBDB for SiCl2 (Dichlorosilylene)

Other names
Dichlorosilylene; silicon dichloride;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   268  
Energy 298.15K   223  
Atomization Enthalpy 298.15K x216x
Atomization Enthalpy 0K x221x
Entropy (298.15K) entropy x203x
Entropy at any temperature   203  
Integrated Heat Capacity integrated heat capacity x203x
Heat Capacity (Cp) Heat capacity x203x
Nuclear Repulsion Energy   229  
HOMO-LUMO Energies HOMO energies   221  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x202  
Internal Coordinates bond lengths bond angles x202x
Products of moments of inertia moments of inertia x210x
Rotational Constants rotational constants x214x
Point Group  215 
Vibrations Vibrational Frequencies vibrations x631x
Vibrational Intensities  213 
Zero-point energies x210x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   171  
Dipole dipole  168 
Quadrupole quadrupole  160 
Polarizability polarizability  149 
Other results Spin   0  
Number of basis functions   5  
Conformations   1  
2015 06 10 17:36