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

All data (experiment and calculated) in the CCCBDB for SF2 (sulfur difluoride)

INChI
InChI=1/F2S/c1-3-2

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   232  
Energy 298.15K   191  
Atomization Enthalpy 298.15K x179x
Atomization Enthalpy 0K x185x
Entropy (298.15K) entropy x171x
Entropy at any temperature   171  
Integrated Heat Capacity integrated heat capacity x171x
Heat Capacity (Cp) Heat capacity x171x
Nuclear Repulsion Energy   209  
HOMO-LUMO Energies HOMO energies   202  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x208  
Internal Coordinates bond lengths bond angles x208x
Products of moments of inertia moments of inertia x204x
Rotational Constants rotational constants x209x
Point Group  210 
Vibrations Vibrational Frequencies vibrations x206x
Vibrational Intensities  199 
Zero-point energies x206x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   186  
Dipole dipole x129x
Quadrupole quadrupole  126 
Polarizability polarizability  124 
Other results Spin   10  
Number of basis functions   36  
Diagnostics   6  
Conformations   1