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

All data (experiment and calculated) in the CCCBDB for SiF2 (Silicon difluoride)

Other names
Difluorosilylene; Silicon difluoride;

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   623  
Energy 298.15K   15  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   620  
HOMO-LUMO Energies HOMO energies   606  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x292  
Internal Coordinates bond lengths bond angles x292x
Products of moments of inertia moments of inertia x590x
Rotational Constants rotational constants x601x
Point Group  622 
Vibrations Vibrational Frequencies vibrations x586x
Vibrational Intensities  539 
Zero-point energies  586 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 325  
Electrostatics Atom charges   366  
Dipole dipole x370x
Quadrupole quadrupole  364 
Polarizability polarizability  337 
Other results Spin   323  
Number of basis functions   56  
Diagnostics   0  
Conformations   1