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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

B3LYP/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4211 0.0000   0.1221 0.4030 0.0000
O2 -1.0282 -0.4459 0.0000   -1.1133 -0.1285 0.0000
O3 1.1586 0.1170 0.0000   1.1427 -0.2240 0.0000
H4 -0.3828 1.4480 0.0000   0.0536 1.4968 0.0000
H5 -0.6599 -1.3436 0.0000   -1.0212 -1.0944 0.0000
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5
C1 1.3449 1.1978 1.0960 1.8840
O2 1.3449 2.2581 2.0008 0.9703
O3 1.1978 2.2581 2.0365 2.3324
H4 1.0960 2.0008 2.0365 2.8053
H5 1.8840 0.9703 2.3324 2.8053
Maximum atom distance is 2.8053Å 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 125.161
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 H5 107.828 O2 C1 H4 109.693
O3 C1 H4 125.146

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