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Geometry for HCOOH (Formic acid) 1A' CS

1910171554
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3) INChIKey=BDAGIHXWWSANSR-UHFFFAOYSA-N

B3LYPultrafine/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4231 0.0000   -0.1225 -0.4049 0.0000
O2 -1.0340 -0.4440 0.0000   1.1183 0.1255 0.0000
O3 1.1643 0.1122 0.0000   -1.1469 0.2297 0.0000
H4 -0.3802 1.4588 0.0000   -0.0585 -1.5064 0.0000
H5 -0.6618 -1.3430 0.0000   1.0223 1.0939 0.0000
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5
C1 1.3494 1.2051 1.1033 1.8860
O2 1.3494 2.2676 2.0120 0.9731
O3 1.2051 2.2676 2.0491 2.3350
H4 1.1033 2.0120 2.0491 2.8160
H5 1.8860 0.9731 2.3350 2.8160
Maximum atom distance is 2.8160Å between atoms H4 and H5.
picture of Formic acid
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 O3 125.070
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H5 107.487 O2 C1 H4 109.822
O3 C1 H4 125.108

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