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 SiO2 (silicon dioxide)

Other names
Amorphous silica gel; Silica; Silicic anhydride; Silicon dioxide; Silicon oxide; Silicon(IV) oxide;

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   266  
Energy 298.15K   225  
Atomization Enthalpy 298.15K x218x
Atomization Enthalpy 0K x224x
Entropy (298.15K) entropy x205x
Entropy at any temperature   205  
Integrated Heat Capacity integrated heat capacity x205x
Heat Capacity (Cp) Heat capacity x205x
Nuclear Repulsion Energy   225  
HOMO-LUMO Energies HOMO energies   219  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  201  
Internal Coordinates bond lengths bond angles  201 
Products of moments of inertia moments of inertia  205 
Rotational Constants rotational constants  208 
Point Group  212 
Vibrations Vibrational Frequencies vibrations  828 
Vibrational Intensities  205 
Zero-point energies  207 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   170  
Dipole dipole x166x
Quadrupole quadrupole  158 
Polarizability polarizability  148 
Other results Spin   0  
Number of basis functions   4  
Conformations   1  
2015 06 10 17:36