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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for HCS (Thioformyl radical)
2A' CS
1910171554
InChI=1S/CHS/c1-2/h1H INChIKey=RIFHJAODNHLCBH-UHFFFAOYSA-N
HF/Def2TZVPP
Point group is Cs
| Atom |
Internal |
| x (Å) |
y (Å) |
z (Å) |
| C1 |
0.0334 |
1.0624 |
0.0000 |
| H2 |
-0.7350 |
1.8141 |
0.0000 |
| S3 |
0.0334 |
-0.5118 |
0.0000 |
Atom - Atom Distances (Å)
| |
C1 |
H2 |
S3 |
| C1 |
|
1.0749 |
1.5742 |
| H2 |
1.0749 |
| 2.4495 |
| S3 |
1.5742 |
2.4495 |
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Maximum atom distance is 2.4495Å
between atoms H2 and S3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
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H2 |
C1 |
S3 |
134.369 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.