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

All data (experiment and calculated) in the CCCBDB for SF2- (sulfur difluoride 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      
Enthalpy 0K enthalpy of formation      
Energy 0K   738  
Energy 298.15K   6  
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   737  
HOMO-LUMO Energies HOMO energies   713  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  714  
Internal Coordinates bond lengths bond angles  714 
Products of moments of inertia moments of inertia  683 
Rotational Constants rotational constants  693 
Point Group  738 
Vibrations Vibrational Frequencies vibrations  694 
Vibrational Intensities  596 
Zero-point energies  694 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   411  
Dipole dipole  555 
Quadrupole quadrupole  493 
Polarizability polarizability  350 
Other results Spin   735  
Number of basis functions   36  
Diagnostics   0  
Conformations   2 x