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Geometry for CH2CHOH (ethenol) 1A' CS

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

MP3=FULL/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2150 -0.1094 0.0000   -1.2052 0.1891 0.0000
C2 0.0000 0.4428 0.0000   -0.0292 -0.4419 0.0000
O3 -1.1956 -0.2105 0.0000   1.2069 0.1313 0.0000
H4 1.3671 -1.1856 0.0000   -1.2861 1.2730 0.0000
H5 2.0980 0.5166 0.0000   -2.1275 -0.3773 0.0000
H6 -0.1548 1.5178 0.0000   0.0545 -1.5247 0.0000
H7 -1.0354 -1.1657 0.0000   1.1099 1.0950 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7
C1 1.3346 2.4128 1.0869 1.0824 2.1270 2.4860
C2 1.3346 1.3625 2.1262 2.0993 1.0860 1.9130
O3 2.4128 1.3625 2.7420 3.3729 2.0175 0.9686
H4 1.0869 2.1262 2.7420 1.8524 3.1023 2.4026
H5 1.0824 2.0993 3.3729 1.8524 2.4653 3.5565
H6 2.1270 1.0860 2.0175 3.1023 2.4653 2.8243
H7 2.4860 1.9130 0.9686 2.4026 3.5565 2.8243
Maximum atom distance is 3.5565Å 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 126.905
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 122.637 C2 C1 H4 122.486
C2 C1 H5 120.225 C2 O3 H7 109.131
O3 C2 H6 110.458 H4 C1 H5 117.289

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