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Geometry for CH2CO (Ketene) 1A1 C2V

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

MP2/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 -1.2137   -1.2137 0.0000 0.0000
C2 0.0000 0.0000 0.1013   0.1013 0.0000 0.0000
O3 0.0000 0.0000 1.2690   1.2690 0.0000 0.0000
H4 0.0000 0.9397 -1.7389   -1.7389 0.9397 0.0000
H5 0.0000 -0.9397 -1.7389   -1.7389 -0.9397 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5
C1 1.3150 2.4827 1.0765 1.0765
C2 1.3150 1.1677 2.0663 2.0663
O3 2.4827 1.1677 3.1513 3.1513
H4 1.0765 2.0663 3.1513 1.8794
H5 1.0765 2.0663 3.1513 1.8794
Maximum atom distance is 3.1513Å 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 119.202 C2 C1 H5 119.202
H4 C1 H5 121.596

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