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 SiH+ (silicon monohydride cation)

1907021335
INChI
InChI=1S/HSi/h1H/q+1

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   519  
Energy 298.15K   488  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   514  
HOMO-LUMO Energies HOMO energies   442  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x515  
Internal Coordinates bond lengths bond angles x515x
Products of moments of inertia moments of inertia x497x
Rotational Constants rotational constants x506x
Point Group  517 
Vibrations Vibrational Frequencies vibrations fun. har.506x
Vibrational Intensities  650 
Zero-point energies x506x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   296  
Dipole dipole  359 
Quadrupole quadrupole  289 
Polarizability polarizability  318 
Other results Spin   9  
Number of basis functions   101  
Conformations   1