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

All data (experiment and calculated) in the CCCBDB for H2CS (Thioformaldehyde)

Other names
Thioformaldehyde; methanethial;

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   334  
Energy 298.15K   279  
Atomization Enthalpy 298.15K x265x
Atomization Enthalpy 0K x269x
Entropy (298.15K) entropy  262 
Entropy at any temperature   262  
Integrated Heat Capacity integrated heat capacity  262 
Heat Capacity (Cp) Heat capacity  262 
Nuclear Repulsion Energy   297  
HOMO-LUMO Energies HOMO energies   285  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x268  
Internal Coordinates bond lengths bond angles x268x
Products of moments of inertia moments of inertia x268x
Rotational Constants rotational constants x273x
Point Group  281 
Vibrations Vibrational Frequencies vibrations x270x
Vibrational Intensities  244 
Zero-point energies x270x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   192  
Dipole dipole x189x
Quadrupole quadrupole  182 
Polarizability polarizability  169 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   6  
Conformations   1