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Geometry for CH2CO (Ketene) 1A1 C2V

1910171554
InChI=1S/C2H2O/c1-2-3/h1H2 INChIKey=CCGKOQOJPYTBIH-UHFFFAOYSA-N

B3LYP/6-311+G(3df,2p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.2053   -1.2053 0.0000 0.0000
C2 0.0000 0.0000 0.1027   0.1027 0.0000 0.0000
O3 0.0000 0.0000 1.2615   1.2615 0.0000 0.0000
H4 0.0000 0.9370 -1.7385   -1.7385 0.9370 0.0000
H5 0.0000 -0.9370 -1.7385   -1.7385 -0.9370 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5
C1 1.3080 2.4668 1.0781 1.0781
C2 1.3080 1.1588 2.0659 2.0659
O3 2.4668 1.1588 3.1429 3.1429
H4 1.0781 2.0659 3.1429 1.8740
H5 1.0781 2.0659 3.1429 1.8740
Maximum atom distance is 3.1429Å between atoms O3 and H4.
picture of Ketene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 180.000
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 H4 119.641 C2 C1 H5 119.641
H4 C1 H5 120.717

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