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All data (experiment and calculated) in the CCCBDB for S4 (Sulfur tetramer)

1907021335
INChI
InChI=1S/S4/c1-2-4-3-1
InChI=1S/S4/c1-3-4-2

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   2037  
Energy 298.15K   30  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   2040  
HOMO-LUMO Energies HOMO energies   1789  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x2040  
Internal Coordinates bond lengths bond angles x2040x
Products of moments of inertia moments of inertia x2016x
Rotational Constants rotational constants x2040x
Point Group  2043 
Vibrations Vibrational Frequencies vibrations  1998 
Vibrational Intensities  1802 
Zero-point energies  1998 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   1234  
Electronic States Electronic states x 0  
Electrostatics Atom charges   1133  
Dipole dipole  1516 
Quadrupole quadrupole  1292 
Polarizability polarizability  1317 
Other results Spin   0  
Number of basis functions   111  
Conformations   3 x