|
Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
|
|
|
|
You are here: Home > Geometry > Calculated > Calculated geometry OR Calculated > Geometry > Calculated geometry
|
Geometry for ClSO (Sulfur chloride oxide)
2A" CS
1910171554
InChI=1S/ClOS/c1-3-2 INChIKey=JBZRLVKMCLOFLG-UHFFFAOYSA-N
LSDA/aug-cc-pVDZ
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| Cl1 |
-0.7095 |
-1.1542 |
0.0000 |
|
-0.4874 |
-1.2641 |
0.0000 |
| S2 |
0.0000 |
0.8160 |
0.0000 |
|
0.6488 |
0.4949 |
0.0000 |
| O3 |
1.5077 |
0.8206 |
0.0000 |
|
-0.2620 |
1.6964 |
0.0000 |
Atom - Atom Distances (Å)
| |
Cl1 |
S2 |
O3 |
| Cl1 |
| 2.0941 |
2.9691 |
| S2 |
2.0941 |
| 1.5077 |
| O3 |
2.9691 |
1.5077 |
|
Maximum atom distance is 2.9691Å
between atoms Cl1 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
Cl1 |
S2 |
O3 |
109.977 |
|
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.