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

All data (experiment and calculated) in the CCCBDB for SO (Sulfur monoxide)

Other names
Sulfur monoxide; Sulfur oxide;

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   1033  
Energy 298.15K   308  
Atomization Enthalpy 298.15K x281x
Atomization Enthalpy 0K x468x
Entropy (298.15K) entropy x271x
Entropy at any temperature   271  
Integrated Heat Capacity integrated heat capacity x271x
Heat Capacity (Cp) Heat capacity x271x
Nuclear Repulsion Energy   994  
HOMO-LUMO Energies HOMO energies   879  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x917  
Internal Coordinates bond lengths bond angles x917x
Products of moments of inertia moments of inertia x941x
Rotational Constants rotational constants x961x
Point Group  979 
Vibrations Vibrational Frequencies vibrations x955x
Vibrational Intensities  839 
Zero-point energies  955 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states x 254  
Electrostatics Atom charges   581  
Dipole dipole x646x
Quadrupole quadrupole  602 
Polarizability polarizability  525 
Other results Spin   675  
Number of basis functions   39  
Diagnostics   6  
Conformations   1