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

All data (experiment and calculated) in the CCCBDB for C2H6O3S (Sulfurous acid, dimethyl ester)

Other names
Dimethoxy sulfoxide; Dimethyl ester of sulfurous acid; Dimethyl sulfite; Dimethyl sulphite; Methyl sulfite; Sulfurous acid, dimethyl ester; Sulphurous acid dimethyl ester;
INChI
InChI=1/C2H6O3S/c1-4-6(3)5-2/h1-2H3

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      
Energy 0K   166  
Energy 298.15K   153  
Atomization Enthalpy 298.15K x149x
Atomization Enthalpy 0K  152 
Entropy (298.15K) entropy  149 
Entropy at any temperature   149  
Integrated Heat Capacity integrated heat capacity  149 
Heat Capacity (Cp) Heat capacity  149 
Nuclear Repulsion Energy   158  
HOMO-LUMO Energies HOMO energies   149  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  140  
Internal Coordinates bond lengths bond angles  140 
Products of moments of inertia moments of inertia  150 
Rotational Constants rotational constants  153 
Point Group  156 
Vibrations Vibrational Frequencies vibrations  151 
Vibrational Intensities  151 
Zero-point energies  151 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   135  
Dipole dipole  138 
Quadrupole quadrupole  135 
Polarizability polarizability  122 
Other results Spin   0  
Number of basis functions   23  
Diagnostics   3  
Conformations   1