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Geometry for CH2CHOH (ethenol) 1A' CS

1910171554
InChI=1S/C2H4O/c1-2-3/h2-3H,1H2 INChIKey=IMROMDMJAWUWLK-UHFFFAOYSA-N

MP2=FULL/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2184 -0.1063 0.0000   -1.2072 0.1962 0.0000
C2 0.0000 0.4469 0.0000   -0.0331 -0.4457 0.0000
O3 -1.1971 -0.2176 0.0000   1.2099 0.1284 0.0000
H4 1.3667 -1.1769 0.0000   -1.2758 1.2748 0.0000
H5 2.0883 0.5288 0.0000   -2.1217 -0.3727 0.0000
H6 -0.1601 1.5149 0.0000   0.0475 -1.5226 0.0000
H7 -1.0286 -1.1701 0.0000   1.1124 1.0908 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7
C1 1.3381 2.4180 1.0808 1.0770 2.1280 2.4861
C2 1.3381 1.3691 2.1224 2.0899 1.0799 1.9164
O3 2.4180 1.3691 2.7373 3.3690 2.0191 0.9673
H4 1.0808 2.1224 2.7373 1.8520 3.0946 2.3953
H5 1.0770 2.0899 3.3690 1.8520 2.4551 3.5498
H6 2.1280 1.0799 2.0191 3.0946 2.4551 2.8220
H7 2.4861 1.9164 0.9673 2.3953 3.5498 2.8220
Maximum atom distance is 3.5498Å between atoms H5 and H7.
picture of ethenol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 126.547
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 122.945 C2 C1 H4 122.306
C2 C1 H5 119.452 C2 O3 H7 109.003
O3 C2 H6 110.508 H4 C1 H5 118.242

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