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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

HF/CEP-31G


Point group is not available
Atom Internal
x (Å) y (Å) z (Å)
C1 1.1890 -0.3976 0.0000
C2 0.0000 0.5664 0.0000
O3 -1.2037 -0.2407 0.0000
H4 -2.0098 0.2743 0.0000
H5 2.1302 0.1550 0.0000
H6 1.1557 -1.0344 0.8823
H7 1.1557 -1.0344 -0.8823
H8 0.0173 1.2041 0.8854
H9 0.0173 1.2041 -0.8854
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5307 2.3979 3.2686 1.0914 1.0887 1.0887 2.1730 2.1730
C2 1.5307 1.4493 2.0310 2.1696 2.1626 2.1626 1.0912 1.0912
O3 2.3979 1.4493 0.9565 3.3573 2.6411 2.6411 2.0885 2.0885
H4 3.2686 2.0310 0.9565 4.1418 3.5372 3.5372 2.3995 2.3995
H5 1.0914 2.1696 3.3573 4.1418 1.7728 1.7728 2.5197 2.5197
H6 1.0887 2.1626 2.6411 3.5372 1.7728 1.7647 2.5113 3.0711
H7 1.0887 2.1626 2.6411 3.5372 1.7728 1.7647 3.0711 2.5113
H8 2.1730 1.0912 2.0885 2.3995 2.5197 2.5113 3.0711 1.7707
H9 2.1730 1.0912 2.0885 2.3995 2.5197 3.0711 2.5113 1.7707
Maximum atom distance is 4.1418Å 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 107.125
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.837 C1 C2 H9 110.837
C2 C1 H5 110.553 C2 C1 H6 110.158
C2 C1 H7 110.158 C2 O3 H4 113.588
O3 C2 H8 109.790 O3 C2 H9 109.790
H5 C1 H6 108.817 H5 C1 H7 108.817
H6 C1 H7 108.284 H8 C2 H9 108.457

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