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Geometry for CH3CH2OH (Ethanol) 1A' CS

1910171554
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 INChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N

M06-2X/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1699 -0.4012 0.0000   1.2062 -0.2731 0.0000
C2 0.0000 0.5550 0.0000   -0.0597 0.5518 0.0000
O3 -1.1905 -0.2195 0.0000   -1.1601 -0.3462 0.0000
H4 -1.9499 0.3662 0.0000   -1.9780 0.1545 0.0000
H5 2.1116 0.1464 0.0000   2.0836 0.3726 0.0000
H6 1.1347 -1.0375 0.8831   1.2396 -0.9095 0.8831
H7 1.1347 -1.0375 -0.8831   1.2396 -0.9095 -0.8831
H8 0.0371 1.1976 0.8850   -0.0919 1.1947 0.8850
H9 0.0371 1.1976 -0.8850   -0.0919 1.1947 -0.8850
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5109 2.3674 3.2127 1.0894 1.0890 1.0890 2.1500 2.1500
C2 1.5109 1.4203 1.9590 2.1507 2.1455 2.1455 1.0943 1.0943
O3 2.3674 1.4203 0.9590 3.3223 2.6183 2.6183 2.0733 2.0733
H4 3.2127 1.9590 0.9590 4.0674 3.5021 3.5021 2.3286 2.3286
H5 1.0894 2.1507 3.3223 4.0674 1.7708 1.7708 2.4883 2.4883
H6 1.0890 2.1455 2.6183 3.5021 1.7708 1.7662 2.4901 3.0540
H7 1.0890 2.1455 2.6183 3.5021 1.7708 1.7662 3.0540 2.4901
H8 2.1500 1.0943 2.0733 2.3286 2.4883 2.4901 3.0540 1.7699
H9 2.1500 1.0943 2.0733 2.3286 2.4883 3.0540 2.4901 1.7699
Maximum atom distance is 4.0674Å between atoms H4 and H5.
picture of Ethanol
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 107.695
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.207 C1 C2 H9 110.207
C2 C1 H5 110.561 C2 C1 H6 110.167
C2 C1 H7 110.167 C2 O3 H4 109.311
O3 C2 H8 110.403 O3 C2 H9 110.403
H5 C1 H6 108.762 H5 C1 H7 108.762
H6 C1 H7 108.371 H8 C2 H9 107.937

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