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

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

QCISD/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4182 0.0000   0.0169 0.4179 0.0000
H2 -0.0690 1.5158 0.0000   -0.0075 1.5173 0.0000
O3 1.0764 -0.2116 0.0000   1.0669 -0.2551 0.0000
O4 -1.0678 -0.2915 0.0000   -1.0787 -0.2480 0.0000
Atom - Atom Distances (Å)
  C1 H2 O3 O4
C1 1.0997 1.2471 1.2821
H2 1.0997 2.0726 2.0649
O3 1.2471 2.0726 2.1457
O4 1.2821 2.0649 2.1457
Maximum atom distance is 2.1457Å 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 116.053
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H2 C1 O3 123.932 H2 C1 O4 120.016

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