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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 HBS (hydrogen boron sulfide)
1Σ C*V
1910171554
InChI=1S/BHS/c1-2/h1H INChIKey=WGPDGCGYTCPFPX-UHFFFAOYSA-N
wB97X-D/cc-pVTZ
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
B1 |
0.0000 |
0.0000 |
-1.1091 |
H2 |
0.0000 |
0.0000 |
-2.2819 |
S3 |
0.0000 |
0.0000 |
0.4892 |
Atom - Atom Distances (Å)
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B1 |
H2 |
S3 |
B1 |
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1.1728 |
1.5983 |
H2 |
1.1728 |
| 2.7711 |
S3 |
1.5983 |
2.7711 |
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Maximum atom distance is 2.7711Å
between atoms H2 and S3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
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atom1 |
atom2 |
atom3 |
angle |
H2 |
B1 |
S3 |
180.000 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.