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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

B3LYPultrafine/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1729 -0.4105 0.0000   -1.2132 0.2689 0.0000
C2 0.0000 0.5558 0.0000   0.0657 -0.5519 0.0000
O3 -1.1989 -0.2149 0.0000   1.1650 0.3552 0.0000
H4 -1.9477 0.4002 0.0000   1.9814 -0.1669 0.0000
H5 2.1231 0.1351 0.0000   -2.0922 -0.3853 0.0000
H6 1.1382 -1.0517 0.8869   -1.2546 0.9097 0.8869
H7 1.1382 -1.0517 -0.8869   -1.2546 0.9097 -0.8869
H8 0.0509 1.2079 0.8876   0.0924 -1.2054 0.8876
H9 0.0509 1.2079 -0.8876   0.0924 -1.2054 -0.8876
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5197 2.3798 3.2242 1.0957 1.0949 1.0949 2.1601 2.1601
C2 1.5197 1.4252 1.9539 2.1644 2.1601 2.1601 1.1026 1.1026
O3 2.3798 1.4252 0.9691 3.3404 2.6360 2.6360 2.0914 2.0914
H4 3.2242 1.9539 0.9691 4.0795 3.5238 3.5238 2.3312 2.3312
H5 1.0957 2.1644 3.3404 4.0795 1.7791 1.7791 2.4966 2.4966
H6 1.0949 2.1601 2.6360 3.5238 1.7791 1.7738 2.5076 3.0719
H7 1.0949 2.1601 2.6360 3.5238 1.7791 1.7738 3.0719 2.5076
H8 2.1601 1.1026 2.0914 2.3312 2.4966 2.5076 3.0719 1.7752
H9 2.1601 1.1026 2.0914 2.3312 2.4966 3.0719 2.5076 1.7752
Maximum atom distance is 4.0795Å 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 107.781
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.905 C1 C2 H9 109.905
C2 C1 H5 110.650 C2 C1 H6 110.356
C2 C1 H7 110.356 C2 O3 H4 107.867
O3 C2 H8 111.016 O3 C2 H9 111.016
H5 C1 H6 108.611 H5 C1 H7 108.611
H6 C1 H7 108.188 H8 C2 H9 107.228

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