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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 DO (Hydroxyl-d)
2Π C*V
1910171554
InChI=1S/HO/h1H/i1D INChIKey=TUJKJAMUKRIRHC-MICDWDOJSA-N
B3LYP/CEP-31G*
Point group is C∞v
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
O1 |
0.0000 |
0.0000 |
0.1412 |
H2 |
0.0000 |
0.0000 |
-0.8471 |
Atom - Atom Distances (Å)
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O1 |
H2 |
O1 |
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0.9883 |
H2 |
0.9883 |
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Maximum atom distance is 0.9883Å
between atoms O1 and H2.
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.