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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

MP2=FULL/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1669 -0.4007 0.0000   1.2024 -0.2763 0.0000
C2 0.0000 0.5580 0.0000   -0.0584 0.5549 0.0000
O3 -1.1899 -0.2255 0.0000   -1.1598 -0.3489 0.0000
H4 -1.9389 0.3798 0.0000   -1.9680 0.1747 0.0000
H5 2.1097 0.1425 0.0000   2.0831 0.3627 0.0000
H6 1.1280 -1.0348 0.8816   1.2301 -0.9110 0.8816
H7 1.1280 -1.0348 -0.8816   1.2301 -0.9110 -0.8816
H8 0.0458 1.2038 0.8824   -0.0806 1.2019 0.8824
H9 0.0458 1.2038 -0.8824   -0.0806 1.2019 -0.8824
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5102 2.3633 3.2023 1.0881 1.0867 1.0867 2.1471 2.1471
C2 1.5102 1.4247 1.9471 2.1502 2.1416 2.1416 1.0944 1.0944
O3 2.3633 1.4247 0.9630 3.3200 2.6086 2.6086 2.0853 2.0853
H4 3.2023 1.9471 0.9630 4.0555 3.4906 3.4906 2.3230 2.3230
H5 1.0881 2.1502 3.3200 4.0555 1.7683 1.7683 2.4829 2.4829
H6 1.0867 2.1416 2.6086 3.4906 1.7683 1.7633 2.4864 3.0486
H7 1.0867 2.1416 2.6086 3.4906 1.7683 1.7633 3.0486 2.4864
H8 2.1471 1.0944 2.0853 2.3230 2.4829 2.4864 3.0486 1.7649
H9 2.1471 1.0944 2.0853 2.3230 2.4829 3.0486 2.4864 1.7649
Maximum atom distance is 4.0555Å 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 107.229
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.014 C1 C2 H9 110.014
C2 C1 H5 110.645 C2 C1 H6 110.045
C2 C1 H7 110.045 C2 O3 H4 107.689
O3 C2 H8 111.064 O3 C2 H9 111.064
H5 C1 H6 108.803 H5 C1 H7 108.803
H6 C1 H7 108.449 H8 C2 H9 107.471

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