|
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 SSO (Disulfur monoxide)
1A' CS
1910171554
InChI=1S/OS2/c1-3-2 INChIKey=TXKMVPPZCYKFAC-UHFFFAOYSA-N
B2PLYP/cc-pVTZ
Point group is Cs
Atom |
Internal |
|
Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
O1 |
1.4749 |
0.8076 |
0.0000 |
|
-0.3860 |
1.6367 |
0.0000 |
S2 |
0.0000 |
0.6815 |
0.0000 |
|
0.5067 |
0.4558 |
0.0000 |
S3 |
-0.7375 |
-1.0854 |
0.0000 |
|
-0.3137 |
-1.2742 |
0.0000 |
Atom - Atom Distances (Å)
|
O1 |
S2 |
S3 |
O1 |
| 1.4803 |
2.9117 |
S2 |
1.4803 |
| 1.9146 |
S3 |
2.9117 |
1.9146 |
|
Maximum atom distance is 2.9117Å
between atoms O1 and S3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
O1 |
S2 |
S3 |
117.541 |
|
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.