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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

QCISD/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1666 -0.4106 0.0000   1.2051 -0.2777 0.0000
C2 0.0000 0.5544 0.0000   -0.0619 0.5509 0.0000
O3 -1.1928 -0.2110 0.0000   -1.1617 -0.3430 0.0000
H4 -1.9380 0.3885 0.0000   -1.9693 0.1695 0.0000
H5 2.1120 0.1324 0.0000   2.0840 0.3676 0.0000
H6 1.1289 -1.0469 0.8837   1.2388 -0.9142 0.8837
H7 1.1289 -1.0469 -0.8837   1.2388 -0.9142 -0.8837
H8 0.0555 1.1994 0.8836   -0.0788 1.1981 0.8836
H9 0.0555 1.1994 -0.8836   -0.0788 1.1981 -0.8836
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5140 2.3677 3.2058 1.0903 1.0896 1.0896 2.1465 2.1465
C2 1.5140 1.4172 1.9451 2.1537 2.1493 2.1493 1.0954 1.0954
O3 2.3677 1.4172 0.9565 3.3226 2.6210 2.6210 2.0805 2.0805
H4 3.2058 1.9451 0.9565 4.0581 3.4996 3.4996 2.3265 2.3265
H5 1.0903 2.1537 3.3226 4.0581 1.7715 1.7715 2.4796 2.4796
H6 1.0896 2.1493 2.6210 3.4996 1.7715 1.7675 2.4896 3.0531
H7 1.0896 2.1493 2.6210 3.4996 1.7715 1.7675 3.0531 2.4896
H8 2.1465 1.0954 2.0805 2.3265 2.4796 2.4896 3.0531 1.7673
H9 2.1465 1.0954 2.0805 2.3265 2.4796 3.0531 2.4896 1.7673
Maximum atom distance is 4.0581Å 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 107.712
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.650 C1 C2 H9 109.650
C2 C1 H5 110.529 C2 C1 H6 110.216
C2 C1 H7 110.216 C2 O3 H4 108.495
O3 C2 H8 111.142 O3 C2 H9 111.142
H5 C1 H6 108.714 H5 C1 H7 108.714
H6 C1 H7 108.398 H8 C2 H9 107.542

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