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Experimental data for H2CS3 (thiocarbonic acid)

22 02 02 11 45
Other names
Carbonotrithioic acid; Thioxanthic acid; Trithiocarbonic acid;
INChI INChIKey SMILES IUPAC name
InChI=1S/CH2S3/c2-1(3)4/h(H2,2,3,4) HIZCIEIDIFGZSS-UHFFFAOYSA-N S=C(S)S
State Conformation
1A1 C2V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 A1 2500   1967Mul/Kre:74-81       SH s-stretch
2 A1 1115           C=S str
3 A1 876           SH s-bend
4 A1 487           CS s-str
7 B1 465           switched from B2 OPLA
9 B2 2500           SH a-stretch
10 B2 990           SH a-bend
11 B2 755           CS a-str

Calculated vibrational frequencies for H2CS3 (thiocarbonic acid).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for H2CS3 (thiocarbonic acid).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of thiocarbonic acid

Point Group C2v


Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for H2CS3 (thiocarbonic acid).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C=S 1
C-S 2
H-S 2
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