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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/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1703 -0.4062 0.0000   1.2079 -0.2751 0.0000
C2 0.0000 0.5578 0.0000   -0.0613 0.5545 0.0000
O3 -1.1943 -0.2204 0.0000   -1.1628 -0.3504 0.0000
H4 -1.9453 0.3906 0.0000   -1.9764 0.1744 0.0000
H5 2.1186 0.1386 0.0000   2.0905 0.3707 0.0000
H6 1.1331 -1.0450 0.8855   1.2411 -0.9141 0.8855
H7 1.1331 -1.0450 -0.8855   1.2411 -0.9141 -0.8855
H8 0.0465 1.2071 0.8863   -0.0865 1.2049 0.8863
H9 0.0465 1.2071 -0.8863   -0.0865 1.2049 -0.8863
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5163 2.3719 3.2159 1.0936 1.0925 1.0925 2.1567 2.1567
C2 1.5163 1.4255 1.9524 2.1597 2.1534 2.1534 1.0996 1.0996
O3 2.3719 1.4255 0.9682 3.3323 2.6231 2.6231 2.0887 2.0887
H4 3.2159 1.9524 0.9682 4.0717 3.5102 3.5102 2.3279 2.3279
H5 1.0936 2.1597 3.3323 4.0717 1.7766 1.7766 2.4941 2.4941
H6 1.0925 2.1534 2.6231 3.5102 1.7766 1.7711 2.5005 3.0646
H7 1.0925 2.1534 2.6231 3.5102 1.7766 1.7711 3.0646 2.5005
H8 2.1567 1.0996 2.0887 2.3279 2.4941 2.5005 3.0646 1.7726
H9 2.1567 1.0996 2.0887 2.3279 2.4941 3.0646 2.5005 1.7726
Maximum atom distance is 4.0717Å 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 107.430
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.045 C1 C2 H9 110.045
C2 C1 H5 110.641 C2 C1 H6 110.208
C2 C1 H7 110.208 C2 O3 H4 107.777
O3 C2 H8 110.963 O3 C2 H9 110.963
H5 C1 H6 108.712 H5 C1 H7 108.712
H6 C1 H7 108.302 H8 C2 H9 107.412

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