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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

MP2/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1676 -0.4093 0.0000   1.2064 -0.2747 0.0000
C2 0.0000 0.5573 0.0000   -0.0630 0.5538 0.0000
O3 -1.1939 -0.2169 0.0000   -1.1617 -0.3505 0.0000
H4 -1.9258 0.4029 0.0000   -1.9590 0.1826 0.0000
H5 2.1179 0.1322 0.0000   2.0893 0.3708 0.0000
H6 1.1253 -1.0461 0.8867   1.2364 -0.9122 0.8867
H7 1.1253 -1.0461 -0.8867   1.2364 -0.9122 -0.8867
H8 0.0513 1.2022 0.8884   -0.0850 1.2003 0.8884
H9 0.0513 1.2022 -0.8884   -0.0850 1.2003 -0.8884
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5159 2.3693 3.1982 1.0937 1.0924 1.0924 2.1523 2.1523
C2 1.5159 1.4230 1.9319 2.1601 2.1502 2.1502 1.0990 1.0990
O3 2.3693 1.4230 0.9591 3.3301 2.6177 2.6177 2.0865 2.0865
H4 3.1982 1.9319 0.9591 4.0527 3.4921 3.4921 2.3101 2.3101
H5 1.0937 2.1601 3.3301 4.0527 1.7776 1.7776 2.4910 2.4910
H6 1.0924 2.1502 2.6177 3.4921 1.7776 1.7733 2.4917 3.0593
H7 1.0924 2.1502 2.6177 3.4921 1.7776 1.7733 3.0593 2.4917
H8 2.1523 1.0990 2.0865 2.3101 2.4910 2.4917 3.0593 1.7768
H9 2.1523 1.0990 2.0865 2.3101 2.4910 3.0593 2.4917 1.7768
Maximum atom distance is 4.0527Å 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 107.416
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.771 C1 C2 H9 109.771
C2 C1 H5 110.700 C2 C1 H6 109.992
C2 C1 H7 109.992 C2 O3 H4 106.775
O3 C2 H8 111.003 O3 C2 H9 111.003
H5 C1 H6 108.799 H5 C1 H7 108.799
H6 C1 H7 108.511 H8 C2 H9 107.880

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