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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;
INChI
InChI=1/O2Si/c1-3-2

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   246  
Energy 298.15K   229  
Atomization Enthalpy 298.15K x223x
Atomization Enthalpy 0K x228x
Entropy (298.15K) entropy x210x
Entropy at any temperature   210  
Integrated Heat Capacity integrated heat capacity x210x
Heat Capacity (Cp) Heat capacity x210x
Nuclear Repulsion Energy   207  
HOMO-LUMO Energies HOMO energies   199  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  182  
Internal Coordinates bond lengths bond angles  182 
Products of moments of inertia moments of inertia  188 
Rotational Constants rotational constants  191 
Point Group  193 
Vibrations Vibrational Frequencies vibrations  189 
Vibrational Intensities  182 
Zero-point energies  189 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   159  
Dipole dipole x151x
Quadrupole quadrupole  145 
Polarizability polarizability  132 
Other results Spin   0  
Number of basis functions   28  
Diagnostics   5  
Conformations   1