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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 H2S (Hydrogen sulfide)
1A1 C2V
1910171554
InChI=1S/H2S/h1H2 INChIKey=RWSOTUBLDIXVET-UHFFFAOYSA-N
B3PW91/6-31G*
Point group is C2v
Atom |
Internal |
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Principal |
x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
S1 |
0.0000 |
0.0000 |
0.1033 |
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0.1033 |
0.0000 |
0.0000 |
H2 |
0.0000 |
0.9745 |
-0.8262 |
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-0.8262 |
0.0000 |
0.9745 |
H3 |
0.0000 |
-0.9745 |
-0.8262 |
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-0.8262 |
0.0000 |
-0.9745 |
Atom - Atom Distances (Å)
|
S1 |
H2 |
H3 |
S1 |
| 1.3468 |
1.3468 |
H2 |
1.3468 |
| 1.9491 |
H3 |
1.3468 |
1.9491 |
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Maximum atom distance is 1.9491Å
between atoms H2 and H3.
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 |
S1 |
H3 |
92.709 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.