return to home page

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

All data (experiment and calculated) in the CCCBDB for FSSF (Difluorodisulfane)


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      
Enthalpy 0K enthalpy of formation      
Energy 0K   275  
Energy 298.15K   11  
Atomization Enthalpy 298.15K  8 
Atomization Enthalpy 0K  181 
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   272  
HOMO-LUMO Energies HOMO energies   272  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  272  
Internal Coordinates bond lengths bond angles  272 
Products of moments of inertia moments of inertia  263 
Rotational Constants rotational constants  271 
Point Group  273 
Vibrations Vibrational Frequencies vibrations  225 
Vibrational Intensities  217 
Zero-point energies  225 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   167  
Dipole dipole x170x
Quadrupole quadrupole  168 
Polarizability polarizability  168 
Other results Spin   0  
Number of basis functions   34  
Diagnostics   0  
Conformations   1