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Geometry for HCOO (formate neutral radical) 2A' CS

1910171554
InChI=1S/CHO2/c2-1-3/h1H INChIKey=JRCLCXAVSVCEQC-UHFFFAOYSA-N

PBEPBE/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4436 0.0000   0.0000 0.4436 0.0000
H2 -0.0000 1.5447 0.0000   0.0001 1.5447 0.0000
O3 1.0820 -0.2628 0.0000   1.0820 -0.2629 0.0000
O4 -1.0820 -0.2629 0.0000   -1.0820 -0.2629 0.0000
Atom - Atom Distances (Å)
  C1 H2 O3 O4
C1 1.1011 1.2922 1.2923
H2 1.1011 2.1066 2.1067
O3 1.2922 2.1066 2.1640
O4 1.2923 2.1067 2.1640
Maximum atom distance is 2.1640Å between atoms O3 and O4.
picture of formate neutral radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O3 C1 O4 113.714
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 O3 123.141 H2 C1 O4 123.145

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