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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 COH (Hydroxymethylidyne)
2A' CS
1910171554
InChI=1S/CHO/c1-2/h2H INChIKey=
PM3
Point group is Cs
Atom |
Internal |
x (Å) |
y (Å) |
z (Å) |
C1 |
0.0588 |
0.7601 |
0.0000 |
O2 |
0.0588 |
-0.4618 |
0.0000 |
H3 |
-0.8234 |
-0.8665 |
0.0000 |
Atom - Atom Distances (Å)
|
C1 |
O2 |
H3 |
C1 |
|
1.2219 |
1.8505 |
O2 |
1.2219 |
|
0.9706 |
H3 |
1.8505 |
0.9706 |
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Maximum atom distance is 1.8505Å
between atoms C1 and H3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.