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

All data (experiment and calculated) in the CCCBDB for H2S (Hydrogen sulfide)

Other names
Acide sulfhydrique; Dihydrogen monosulfide; Dihydrogen sulfide; Hepatic gas; Hydrogen sulfide; Hydrogen sulfide (H2S); Hydrogen sulfuric acid; Hydrogene sulfure; Hydrogen-sulphide-; Hydrosulfuric acid; Idrogeno solforato; Rcra waste number U135; Schwefelwasserstoff; Siarkowodor; Stink damp; Sulfur hydride; Sulfureted hydrogen; Sulfuretted hydrogen; UN 1053; Zwavelwaterstof;
INChI
InChI=1/H2S/h1H2

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 x    
Energy 0K   353  
Energy 298.15K   288  
Atomization Enthalpy 298.15K x280x
Atomization Enthalpy 0K x288x
Entropy (298.15K) entropy x270x
Entropy at any temperature   270  
Integrated Heat Capacity integrated heat capacity x270x
Heat Capacity (Cp) Heat capacity x270x
Nuclear Repulsion Energy   316  
HOMO-LUMO Energies HOMO energies   308  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x287  
Internal Coordinates bond lengths bond angles x287x
Products of moments of inertia moments of inertia x280x
Rotational Constants rotational constants x285x
Point Group  299 
Vibrations Vibrational Frequencies vibrations x281x
Vibrational Intensities  242 
Zero-point energies x281x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   188  
Dipole dipole x186x
Quadrupole quadrupole  178 
Polarizability polarizability x161x
Other results Spin   10  
Number of basis functions   38  
Diagnostics   6  
Conformations   1