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 anion)

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   450  
Energy 298.15K   426  
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   441  
HOMO-LUMO Energies HOMO energies   447  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  447  
Internal Coordinates bond lengths bond angles  445 
Products of moments of inertia moments of inertia  432 
Rotational Constants rotational constants  442 
Point Group  449 
Vibrations Vibrational Frequencies vibrations  439 
Vibrational Intensities  604 
Zero-point energies  439 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   10  
Electronic States Electronic states x 39  
Electrostatics Atom charges   265  
Dipole dipole  353 
Quadrupole quadrupole  315 
Polarizability polarizability  312 
Other results Spin   406  
Number of basis functions   104  
Conformations   1