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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

PBE1PBE/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1688 -0.4019 0.0000   1.2057 -0.2719 0.0000
C2 0.0000 0.5504 0.0000   -0.0601 0.5471 0.0000
O3 -1.1929 -0.2166 0.0000   -1.1621 -0.3455 0.0000
H4 -1.9437 0.3789 0.0000   -1.9734 0.1645 0.0000
H5 2.1106 0.1498 0.0000   2.0817 0.3793 0.0000
H6 1.1407 -1.0406 0.8843   1.2475 -0.9098 0.8843
H7 1.1407 -1.0406 -0.8843   1.2475 -0.9098 -0.8843
H8 0.0410 1.1969 0.8860   -0.0899 1.1942 0.8860
H9 0.0410 1.1969 -0.8860   -0.0899 1.1942 -0.8860
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5076 2.3690 3.2089 1.0915 1.0912 1.0912 2.1478 2.1478
C2 1.5076 1.4182 1.9512 2.1483 2.1481 2.1481 1.0976 1.0976
O3 2.3690 1.4182 0.9582 3.3238 2.6280 2.6280 2.0749 2.0749
H4 3.2089 1.9512 0.9582 4.0608 3.5086 3.5086 2.3223 2.3223
H5 1.0915 2.1483 3.3238 4.0608 1.7719 1.7719 2.4829 2.4829
H6 1.0912 2.1481 2.6280 3.5086 1.7719 1.7686 2.4931 3.0577
H7 1.0912 2.1481 2.6280 3.5086 1.7719 1.7686 3.0577 2.4931
H8 2.1478 1.0976 2.0749 2.3223 2.4829 2.4931 3.0577 1.7720
H9 2.1478 1.0976 2.0749 2.3223 2.4829 3.0577 2.4931 1.7720
Maximum atom distance is 4.0608Å 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 108.090
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.066 C1 C2 H9 110.066
C2 C1 H5 110.467 C2 C1 H6 110.471
C2 C1 H7 110.471 C2 O3 H4 108.845
O3 C2 H8 110.486 O3 C2 H9 110.486
H5 C1 H6 108.546 H5 C1 H7 108.546
H6 C1 H7 108.272 H8 C2 H9 107.653

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