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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

B2PLYP=FULLultrafine/6-31G**


Point group is Cs
Atom Internal
x (Å) y (Å) z (Å)
C1 1.1695 -0.4065 0.0000
C2 0.0000 0.5568 0.0000
O3 -1.1943 -0.2189 0.0000
H4 -1.9415 0.3890 0.0000
H5 2.1158 0.1371 0.0000
H6 1.1326 -1.0440 0.8837
H7 1.1326 -1.0440 -0.8837
H8 0.0487 1.2056 0.8844
H9 0.0487 1.2056 -0.8844
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5151 2.3713 3.2111 1.0913 1.0903 1.0903 2.1535 2.1535
C2 1.5151 1.4241 1.9487 2.1571 2.1509 2.1509 1.0980 1.0980
O3 2.3713 1.4241 0.9632 3.3292 2.6223 2.6223 2.0872 2.0872
H4 3.2111 1.9487 0.9632 4.0651 3.5049 3.5049 2.3259 2.3259
H5 1.0913 2.1571 3.3292 4.0651 1.7727 1.7727 2.4894 2.4894
H6 1.0903 2.1509 2.6223 3.5049 1.7727 1.7675 2.4971 3.0597
H7 1.0903 2.1509 2.6223 3.5049 1.7727 1.7675 3.0597 2.4971
H8 2.1535 1.0980 2.0872 2.3259 2.4894 2.4971 3.0597 1.7688
H9 2.1535 1.0980 2.0872 2.3259 2.4894 3.0597 2.4971 1.7688
Maximum atom distance is 4.0651Å 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 107.522
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.966 C1 C2 H9 109.966
C2 C1 H5 110.653 C2 C1 H6 110.217
C2 C1 H7 110.217 C2 O3 H4 107.866
O3 C2 H8 111.044 O3 C2 H9 111.044
H5 C1 H6 108.698 H5 C1 H7 108.698
H6 C1 H7 108.298 H8 C2 H9 107.312

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