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 SiF3+ (Silicon trifluoride cation)

1907021335
INChI
InChI=1S/F3Si/c1-4(2)3/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   481  
Energy 298.15K   465  
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   482  
HOMO-LUMO Energies HOMO energies   427  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  482  
Internal Coordinates bond lengths bond angles  482 
Products of moments of inertia moments of inertia  474 
Rotational Constants rotational constants  482 
Point Group  483 
Vibrations Vibrational Frequencies vibrations fun. 482x
Vibrational Intensities  431 
Zero-point energies  482 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   293  
Dipole dipole  390 
Quadrupole quadrupole  309 
Polarizability polarizability  322 
Other results Spin   0  
Number of basis functions   62  
Conformations   1