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

All data (experiment and calculated) in the CCCBDB for SiHCl3 (Trichlorosilane)

Other names
Silane, trichloro-; Silici-chloroforme; Siliciumchloroform; Silicochloroform; Trichloorsilaan; Trichloromonosilane; Trichlorosilane; Triclorosilano; Trichlorsilan; UN 1295;
INChI
InChI=1/Cl3HSi/c1-4(2)3/h4H

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   239  
Energy 298.15K   207  
Atomization Enthalpy 298.15K x200x
Atomization Enthalpy 0K x203x
Entropy (298.15K) entropy x192x
Entropy at any temperature   192  
Integrated Heat Capacity integrated heat capacity x192x
Heat Capacity (Cp) Heat capacity x192x
Nuclear Repulsion Energy   207  
HOMO-LUMO Energies HOMO energies   199  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x189  
Internal Coordinates bond lengths bond angles x189x
Products of moments of inertia moments of inertia x195x
Rotational Constants rotational constants x200x
Point Group  200 
Vibrations Vibrational Frequencies vibrations x197x
Vibrational Intensities  193 
Zero-point energies x197x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   155  
Dipole dipole x161x
Quadrupole quadrupole  153 
Polarizability polarizability  135 
Other results Spin   0  
Number of basis functions   5  
Diagnostics   5  
Conformations   1