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

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

MP3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.0484 -1.4865 0.0000   -0.8113 1.6281 0.0000
C2 0.0000 -0.6671 0.0000   -0.5873 0.3165 0.0000
C3 -0.3437 0.5995 0.0000   0.3647 -0.5869 0.0000
O4 -0.9029 1.6283 0.0000   1.0052 -1.5672 0.0000
H5 2.0796 -1.1356 0.0000   -0.0132 2.3694 0.0000
H6 0.9148 -2.5658 0.0000   -1.8248 2.0224 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 O4 H5 H6
C1 1.3306 2.5078 3.6755 1.0893 1.0875
C2 1.3306 1.3124 2.4666 2.1317 2.1075
C3 2.5078 1.3124 1.1710 2.9804 3.4062
O4 3.6755 2.4666 1.1710 4.0662 4.5710
H5 1.0893 2.1317 2.9804 4.0662 1.8445
H6 1.0875 2.1075 3.4062 4.5710 1.8445
Maximum atom distance is 4.5710Å 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 143.189 C2 C3 O4 166.657
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H5 123.199 C2 C1 H6 120.951
H5 C1 H6 115.850

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