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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

MP2/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1680 -0.4014 0.0000   1.2037 -0.2765 0.0000
C2 0.0000 0.5588 0.0000   -0.0587 0.5557 0.0000
O3 -1.1907 -0.2259 0.0000   -1.1604 -0.3497 0.0000
H4 -1.9395 0.3810 0.0000   -1.9688 0.1752 0.0000
H5 2.1119 0.1421 0.0000   2.0853 0.3631 0.0000
H6 1.1283 -1.0360 0.8827   1.2308 -0.9118 0.8827
H7 1.1283 -1.0360 -0.8827   1.2308 -0.9118 -0.8827
H8 0.0444 1.2056 0.8832   -0.0824 1.2036 0.8832
H9 0.0444 1.2056 -0.8832   -0.0824 1.2036 -0.8832
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5121 2.3653 3.2045 1.0892 1.0878 1.0878 2.1506 2.1506
C2 1.5121 1.4261 1.9476 2.1526 2.1437 2.1437 1.0956 1.0956
O3 2.3653 1.4261 0.9638 3.3231 2.6102 2.6102 2.0868 2.0868
H4 3.2045 1.9476 0.9638 4.0584 3.4926 3.4926 2.3229 2.3229
H5 1.0892 2.1526 3.3231 4.0584 1.7704 1.7704 2.4871 2.4871
H6 1.0878 2.1437 2.6102 3.4926 1.7704 1.7653 2.4899 3.0525
H7 1.0878 2.1437 2.6102 3.4926 1.7704 1.7653 3.0525 2.4899
H8 2.1506 1.0956 2.0868 2.3229 2.4871 2.4899 3.0525 1.7665
H9 2.1506 1.0956 2.0868 2.3229 2.4871 3.0525 2.4899 1.7665
Maximum atom distance is 4.0584Å 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 107.191
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.093 C1 C2 H9 110.093
C2 C1 H5 110.644 C2 C1 H6 110.015
C2 C1 H7 110.015 C2 O3 H4 107.591
O3 C2 H8 111.020 O3 C2 H9 111.020
H5 C1 H6 108.828 H5 C1 H7 108.828
H6 C1 H7 108.464 H8 C2 H9 107.444

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