return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for SiH2D2 (silane-d2)

1907021335
INChI
InChI=1S/H4Si/h1H4

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      
Energy 0K   631  
Energy 298.15K   606  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   638  
HOMO-LUMO Energies HOMO energies   544  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  632  
Internal Coordinates bond lengths bond angles  632 
Products of moments of inertia moments of inertia  630 
Rotational Constants rotational constants  637 
Point Group  639 
Vibrations Vibrational Frequencies vibrations fun. 629x
Vibrational Intensities  548 
Zero-point energies x629x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   342  
Dipole dipole  490 
Quadrupole quadrupole  399 
Polarizability polarizability  409 
Other results Spin   0  
Number of basis functions   34  
Conformations   1