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Geometry for C3H2O (Propadienal) 1A' CS (bent)

1910171554
InChI=1S/C3H2O/c1-2-3-4/h1H2 INChIKey=TURAMGVWNUTQKH-UHFFFAOYSA-N

B97D3/daug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1096 -1.4429 0.0000   -0.6962 1.6818 0.0000
C2 0.0000 -0.6873 0.0000   -0.5955 0.3431 0.0000
C3 -0.3694 0.5801 0.0000   0.3182 -0.6097 0.0000
O4 -0.9515 1.6076 0.0000   0.9178 -1.6270 0.0000
H5 2.1252 -1.0211 0.0000   0.1763 2.3512 0.0000
H6 1.0458 -2.5385 0.0000   -1.6774 2.1735 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 H5 H6
C1 1.3425 2.5060 3.6815 1.0997 1.0974
C2 1.3425 1.3201 2.4843 2.1512 2.1262
C3 2.5060 1.3201 1.1809 2.9643 3.4246
O4 3.6815 2.4843 1.1809 4.0467 4.6020
H5 1.0997 2.1512 2.9643 4.0467 1.8621
H6 1.0974 2.1262 3.4246 4.6020 1.8621
Maximum atom distance is 4.6020Å between atoms O4 and H6.
picture of Propadienal
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 140.506 C2 C3 O4 166.719
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H5 123.191 C2 C1 H6 120.921
H5 C1 H6 115.889

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