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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

BLYP/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1809 -0.4132 0.0000   -1.2139 0.3030 0.0000
C2 0.0000 0.5605 0.0000   0.0515 -0.5581 0.0000
O3 -1.2084 -0.2179 0.0000   1.1833 0.3280 0.0000
H4 -1.9557 0.4040 0.0000   1.9845 -0.2226 0.0000
H5 2.1351 0.1362 0.0000   -2.1136 -0.3318 0.0000
H6 1.1478 -1.0582 0.8914   -1.2402 0.9483 0.8914
H7 1.1478 -1.0582 -0.8914   -1.2402 0.9483 -0.8914
H8 0.0531 1.2179 0.8926   0.0590 -1.2176 0.8926
H9 0.0531 1.2179 -0.8926   0.0590 -1.2176 -0.8926
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5306 2.3973 3.2413 1.1010 1.1008 1.1008 2.1747 2.1747
C2 1.5306 1.4374 1.9619 2.1769 2.1754 2.1754 1.1099 1.1099
O3 2.3973 1.4374 0.9722 3.3622 2.6557 2.6557 2.1095 2.1095
H4 3.2413 1.9619 0.9722 4.0996 3.5446 3.5446 2.3441 2.3441
H5 1.1010 2.1769 3.3622 4.0996 1.7877 1.7877 2.5103 2.5103
H6 1.1008 2.1754 2.6557 3.5446 1.7877 1.7827 2.5257 3.0922
H7 1.1008 2.1754 2.6557 3.5446 1.7877 1.7827 3.0922 2.5257
H8 2.1747 1.1099 2.1095 2.3441 2.5103 2.5257 3.0922 1.7853
H9 2.1747 1.1099 2.1095 2.3441 2.5103 3.0922 2.5257 1.7853
Maximum atom distance is 4.0996Å 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 107.707
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.869 C1 C2 H9 109.869
C2 C1 H5 110.563 C2 C1 H6 110.461
C2 C1 H7 110.461 C2 O3 H4 107.447
O3 C2 H8 111.163 O3 C2 H9 111.163
H5 C1 H6 108.569 H5 C1 H7 108.569
H6 C1 H7 108.146 H8 C2 H9 107.079

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