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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

B1B95/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1623 -0.4044 0.0000   1.2002 -0.2717 0.0000
C2 0.0000 0.5535 0.0000   -0.0620 0.5501 0.0000
O3 -1.1866 -0.2152 0.0000   -1.1551 -0.3468 0.0000
H4 -1.9373 0.3804 0.0000   -1.9677 0.1611 0.0000
H5 2.1120 0.1317 0.0000   2.0840 0.3673 0.0000
H6 1.1250 -1.0435 0.8820   1.2347 -0.9110 0.8820
H7 1.1250 -1.0435 -0.8820   1.2347 -0.9110 -0.8820
H8 0.0473 1.2011 0.8850   -0.0874 1.1989 0.8850
H9 0.0473 1.2011 -0.8850   -0.0874 1.1989 -0.8850
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5062 2.3565 3.1973 1.0906 1.0898 1.0898 2.1457 2.1457
C2 1.5062 1.4139 1.9450 2.1538 2.1434 2.1434 1.0977 1.0977
O3 2.3565 1.4139 0.9582 3.3169 2.6091 2.6091 2.0765 2.0765
H4 3.1973 1.9450 0.9582 4.0569 3.4903 3.4903 2.3228 2.3228
H5 1.0906 2.1538 3.3169 4.0569 1.7701 1.7701 2.4880 2.4880
H6 1.0898 2.1434 2.6091 3.4903 1.7701 1.7640 2.4899 3.0532
H7 1.0898 2.1434 2.6091 3.4903 1.7701 1.7640 3.0532 2.4899
H8 2.1457 1.0977 2.0765 2.3228 2.4880 2.4899 3.0532 1.7701
H9 2.1457 1.0977 2.0765 2.3228 2.4880 3.0532 2.4899 1.7701
Maximum atom distance is 4.0569Å 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 107.565
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.995 C1 C2 H9 109.995
C2 C1 H5 111.062 C2 C1 H6 110.276
C2 C1 H7 110.276 C2 O3 H4 108.631
O3 C2 H8 110.914 O3 C2 H9 110.914
H5 C1 H6 108.545 H5 C1 H7 108.545
H6 C1 H7 108.056 H8 C2 H9 107.471

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