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

All data (experiment and calculated) in the CCCBDB for SiH3+ (Silyl cation)


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      
Enthalpy 0K enthalpy of formation      
Energy 0K   284  
Energy 298.15K   11  
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   279  
HOMO-LUMO Energies HOMO energies   277  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  277  
Internal Coordinates bond lengths bond angles  277 
Products of moments of inertia moments of inertia x266x
Rotational Constants rotational constants x274x
Point Group  280 
Vibrations Vibrational Frequencies vibrations  272 
Vibrational Intensities  240 
Zero-point energies  272 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   146  
Dipole dipole  158 
Quadrupole quadrupole  156 
Polarizability polarizability  144 
Other results Spin   5  
Number of basis functions   6  
Diagnostics   1  
Conformations   1