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

All data (experiment and calculated) in the CCCBDB for SiN (Silicon nitride)

Other names
Silicon nitride; Silicon nitride (SiN);

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   229  
Atomization Enthalpy 298.15K x221x
Atomization Enthalpy 0K x237x
Entropy (298.15K) entropy x212x
Entropy at any temperature   212  
Integrated Heat Capacity integrated heat capacity x212x
Heat Capacity (Cp) Heat capacity x212x
Nuclear Repulsion Energy   230  
HOMO-LUMO Energies HOMO energies   209  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x199  
Internal Coordinates bond lengths bond angles x199x
Products of moments of inertia moments of inertia x203x
Rotational Constants rotational constants x208x
Point Group  213 
Vibrations Vibrational Frequencies vibrations x206x
Vibrational Intensities  193 
Zero-point energies x206x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   165  
Dipole dipole  143 
Quadrupole quadrupole  143 
Polarizability polarizability  123 
Other results Spin   171  
Number of basis functions   5  
Diagnostics   5  
Conformations   1