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

All data (experiment and calculated) in the CCCBDB for S (Sulfur atom)

Other names
Asulfa-Supra; Atomic sulfur; Bensulfoid; Brimstone; Colloidal sulfur; Colloidal-S; Colsul; component of Bensulfoid; Corosul D and S; Cosan; Cosan 80; Crystex; Elosal; Flour sulfur; Flowers of sulfur; Flowers of sulphur; Ground vocle sulfur; Hexasul; Kolloidschwefel 95; Kolo 100; Kolofog; Kolospray; Kumulus; Magnetic 70, 90, and 95; Micowetsulf; Microflotox; Netzschwefel; Polsulkol Extra; Precipitated sulfur; RC-Schwefel Extra; Sofril; Sperlox-S; Spersul; Spersul thiovit; Sublimed sulfur; Sufran; Sufran D; Sulfex; Sulfidal; Sulforon; Sulfur; Sulfur atom; Sulfur Soap; Sulfur, Precipitated; Sulikol; Sulkol; Sulsol; Sultaf; Super cosan; Svovl; Thiolux; Thiovit; Ultra Sulfur;

Other names

Asulfa-Supra; Atomic sulfur; Bensulfoid; Brimstone; Colloidal sulfur; Colloidal-S; Colsul; component of Bensulfoid; Corosul D and S; Cosan; Cosan 80; Crystex; Elosal; Flour sulfur; Flowers of sulfur; Flowers of sulphur; Ground vocle sulfur; Hexasul; Kolloidschwefel 95; Kolo 100; Kolofog; Kolospray; Kumulus; Magnetic 70, 90, and 95; Micowetsulf; Microflotox; Netzschwefel; Polsulkol Extra; Precipitated sulfur; RC-Schwefel Extra; Sofril; Sperlox-S; Spersul; Spersul thiovit; Sublimed sulfur; Sufran; Sufran D; Sulfex; Sulfidal; Sulforon; Sulfur; Sulfur atom; Sulfur Soap; Sulfur, Precipitated; Sulikol; Sulkol; Sulsol; Sultaf; Super cosan; Svovl; Thiolux; Thiovit; Ultra Sulfur;

INChI
InChI=1/S

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	x
	Enthalpy 0K	x
	Energy 0K		397
	Energy 298.15K		337
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K	x	0	x
	Entropy (298.15K)	x	348	x
	Entropy at any temperature		348
	Integrated Heat Capacity	x	348	x
	Heat Capacity (Cp)	x	348	x
	Nuclear Repulsion Energy		49
	HOMO-LUMO Energies		181
	Barriers to Internal Rotation		0
Geometries	Cartesians		2
	Internal Coordinates		0
	Products of moments of inertia		0
	Rotational Constants		0
	Point Group		280
Vibrations	Vibrational Frequencies		0
	Vibrational Intensities		0
	Zero-point energies	x	0	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		151
	Dipole	x	128	x
	Quadrupole		143
	Polarizability	x	21	x
Other results	Spin		203
	Number of basis functions		32
	Diagnostics		5
	Conformations		1