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Geometry for CH2CHOH (ethenol) 1A' CS

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

TPSSh/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2208 -0.1128 0.0000   -1.2100 0.1977 0.0000
C2 0.0000 0.4384 0.0000   -0.0306 -0.4373 0.0000
O3 -1.2004 -0.2037 0.0000   1.2117 0.1195 0.0000
H4 1.3758 -1.1899 0.0000   -1.2895 1.2830 0.0000
H5 2.1038 0.5157 0.0000   -2.1347 -0.3677 0.0000
H6 -0.1571 1.5132 0.0000   0.0511 -1.5205 0.0000
H7 -1.0445 -1.1624 0.0000   1.1231 1.0867 0.0000
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7
C1 1.3395 2.4229 1.0882 1.0839 2.1313 2.4966
C2 1.3395 1.3613 2.1317 2.1052 1.0862 1.9114
O3 2.4229 1.3613 2.7585 3.3816 2.0090 0.9713
H4 1.0882 2.1317 2.7585 1.8545 3.1075 2.4205
H5 1.0839 2.1052 3.3816 1.8545 2.4711 3.5676
H6 2.1313 1.0862 2.0090 3.1075 2.4711 2.8189
H7 2.4966 1.9114 0.9713 2.4205 3.5676 2.8189
Maximum atom distance is 3.5676Å 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 127.560
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 122.612 C2 C1 H4 122.489
C2 C1 H5 120.257 C2 O3 H7 108.907
O3 C2 H6 109.828 H4 C1 H5 117.255

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