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Geometry for COH (Hydroxymethylidyne) 2A' CS

1910171554
InChI=1S/CHO/c1-2/h2H INChIKey=

TPSSh/aug-cc-pVQZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0599 0.7923 0.0000   0.7855 0.1198 0.0000
O2 0.0599 -0.4826 0.0000   -0.4858 0.0231 0.0000
H3 -0.8384 -0.8930 0.0000   -0.8269 -0.9037 0.0000
Atom - Atom Distances (Å)
  C1 O2 H3
C1 1.2749 1.9098
O2 1.2749 0.9876
H3 1.9098 0.9876
Maximum atom distance is 1.9098Å between atoms C1 and H3.
picture of Hydroxymethylidyne
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.