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

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


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 x    
Enthalpy 0K enthalpy of formation      
Energy 0K   614  
Energy 298.15K   19  
Atomization Enthalpy 298.15K  5 
Atomization Enthalpy 0K  163 
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   608  
HOMO-LUMO Energies HOMO energies   609  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  608  
Internal Coordinates bond lengths bond angles  608 
Products of moments of inertia moments of inertia  592 
Rotational Constants rotational constants  606 
Point Group  610 
Vibrations Vibrational Frequencies vibrations  604 
Vibrational Intensities  540 
Zero-point energies  604 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 7  
Electrostatics Atom charges   342  
Dipole dipole  423 
Quadrupole quadrupole  390 
Polarizability polarizability  342 
Other results Spin   599  
Number of basis functions   35  
Diagnostics   1  
Conformations   1