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 SiF+ (silicon monofluoride cation)

1907021335
INChI
InChI=1S/FSi/c1-2/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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   627  
Energy 298.15K   555  
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   621  
HOMO-LUMO Energies HOMO energies   528  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x621  
Internal Coordinates bond lengths bond angles x621x
Products of moments of inertia moments of inertia x603x
Rotational Constants rotational constants x612x
Point Group  624 
Vibrations Vibrational Frequencies vibrations har.611x
Vibrational Intensities  736 
Zero-point energies x611x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   350  
Dipole dipole  432 
Quadrupole quadrupole  350 
Polarizability polarizability  377 
Other results Spin   8  
Number of basis functions   104  
Conformations   1