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Geometry for HOCO (Hydrocarboxyl radical) 1A' CS trans

1910171554
InChI=1S/CHO2/c2-1-3/h(H,2,3) INChIKey=ORTFAQDWJHRMNX-UHFFFAOYSA-N

B3LYP/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4709 0.0000   -0.1592 -0.4432 0.0000
O2 -0.9819 -0.5641 0.0000   1.1148 0.1989 0.0000
O3 1.2152 0.2162 0.0000   -1.2168 0.2073 0.0000
H4 -1.8665 -0.0429 0.0000   1.7712 -0.5906 0.0000
Atom - Atom Distances (Å)
  C1 O2 O3 H4
C1 1.4266 1.2416 1.9360
O2 1.4266 2.3316 1.0267
O3 1.2416 2.3316 3.0926
H4 1.9360 1.0267 3.0926
Maximum atom distance is 3.0926Å between atoms O3 and H4.
picture of Hydrocarboxyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 O3 121.658
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H4 102.992

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.