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

All data (experiment and calculated) in the CCCBDB for SiF (silicon monofluoride)

Other names
Fluorosilylidyne; Silicon fluoride; Silylidyne, fluoro-;
INChI
InChI=1/FSi/c1-2

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 x    
Energy 0K   277  
Energy 298.15K   249  
Atomization Enthalpy 298.15K x242x
Atomization Enthalpy 0K x256x
Entropy (298.15K) entropy x232x
Entropy at any temperature   232  
Integrated Heat Capacity integrated heat capacity x232x
Heat Capacity (Cp) Heat capacity x232x
Nuclear Repulsion Energy   239  
HOMO-LUMO Energies HOMO energies   212  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x201  
Internal Coordinates bond lengths bond angles x201x
Products of moments of inertia moments of inertia x213x
Rotational Constants rotational constants x217x
Point Group  221 
Vibrations Vibrational Frequencies vibrations x216x
Vibrational Intensities  196 
Zero-point energies x216x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   168  
Dipole dipole  148 
Quadrupole quadrupole  151 
Polarizability polarizability  134 
Other results Spin   161  
Number of basis functions   32  
Diagnostics   6  
Conformations   1