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Geometry for CH2CHO (Vinyloxy radical) 2A" CS

1910171554
InChI=1S/C2H3O/c1-2-3/h2H,1H2 INChIKey=FATAVLOOLIRUNA-UHFFFAOYSA-N

mPW1PW91/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.4296 0.0000   0.1230 -0.4116 0.0000
H2 0.2819 1.4975 0.0000   0.1587 -1.5155 0.0000
C3 1.0576 -0.5243 0.0000   -1.1634 0.1994 0.0000
O4 -1.1926 0.1080 0.0000   1.1736 0.2381 0.0000
H5 2.0958 -0.2117 0.0000   -2.0686 -0.3974 0.0000
H6 0.8179 -1.5816 0.0000   -1.2366 1.2811 0.0000
Atom - Atom Distances (Å)
  C1 H2 C3 O4 H5 H6
C1 1.1045 1.4242 1.2353 2.1917 2.1712
H2 1.1045 2.1655 2.0261 2.4922 3.1254
C3 1.4242 2.1655 2.3373 1.0843 1.0841
O4 1.2353 2.0261 2.3373 3.3039 2.6262
H5 2.1917 2.4922 1.0843 3.3039 1.8734
H6 2.1712 3.1254 1.0841 2.6262 1.8734
Maximum atom distance is 3.3039Å between atoms O4 and H5.
picture of Vinyloxy radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C3 C1 O4 122.856
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 121.192 C1 C3 H6 119.277
H2 C1 C3 117.260 H2 C1 O4 119.884
H5 C3 H6 119.531

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