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

All data (experiment and calculated) in the CCCBDB for SF (Monosulfur monofluoride)

Other names
Sulfur fluoride;

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 x    
Energy 0K   294  
Energy 298.15K   269  
Atomization Enthalpy 298.15K x260x
Atomization Enthalpy 0K x263x
Entropy (298.15K) entropy x251x
Entropy at any temperature   251  
Integrated Heat Capacity integrated heat capacity x251x
Heat Capacity (Cp) Heat capacity x251x
Nuclear Repulsion Energy   247  
HOMO-LUMO Energies HOMO energies   231  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x217  
Internal Coordinates bond lengths bond angles x217x
Products of moments of inertia moments of inertia x231x
Rotational Constants rotational constants x236x
Point Group  238 
Vibrations Vibrational Frequencies vibrations x226x
Vibrational Intensities  203 
Zero-point energies x226x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   176  
Dipole dipole  157 
Quadrupole quadrupole  150 
Polarizability polarizability  139 
Other results Spin   188  
Number of basis functions   6  
Diagnostics   6  
Conformations   1