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

All data (experiment and calculated) in the CCCBDB for CH3SiH3 (methyl silane)

Other names
Methylsilane; Silaethane; Silane, methyl-;
INChI
InChI=1/CH6Si/c1-2/h1-2H3

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      
Energy 0K   265  
Energy 298.15K   237  
Atomization Enthalpy 298.15K x232x
Atomization Enthalpy 0K  235 
Entropy (298.15K) entropy  218 
Entropy at any temperature   218  
Integrated Heat Capacity integrated heat capacity  218 
Heat Capacity (Cp) Heat capacity  218 
Nuclear Repulsion Energy   231  
HOMO-LUMO Energies HOMO energies   217  
Barriers to Internal Rotation internal rotation x15x
Geometries Cartesians x200  
Internal Coordinates bond lengths bond angles x200x
Products of moments of inertia moments of inertia x76x
Rotational Constants rotational constants x80x
Point Group  214 
Vibrations Vibrational Frequencies vibrations x209x
Vibrational Intensities  199 
Zero-point energies x209x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   167  
Dipole dipole x163x
Quadrupole quadrupole  156 
Polarizability polarizability  145 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   6  
Conformations   1