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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/aug-cc-pVQZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1682 -0.3962 0.0000   1.2024 -0.2754 0.0000
C2 0.0000 0.5572 0.0000   -0.0567 0.5544 0.0000
O3 -1.1888 -0.2274 0.0000   -1.1595 -0.3471 0.0000
H4 -1.9439 0.3646 0.0000   -1.9709 0.1650 0.0000
H5 2.1068 0.1533 0.0000   2.0803 0.3668 0.0000
H6 1.1346 -1.0306 0.8819   1.2335 -0.9098 0.8819
H7 1.1346 -1.0306 -0.8819   1.2335 -0.9098 -0.8819
H8 0.0347 1.1981 0.8838   -0.0873 1.1954 0.8838
H9 0.0347 1.1981 -0.8838   -0.0873 1.1954 -0.8838
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5079 2.3630 3.2038 1.0877 1.0869 1.0869 2.1465 2.1465
C2 1.5079 1.4244 1.9534 2.1452 2.1416 2.1416 1.0922 1.0922
O3 2.3630 1.4244 0.9595 3.3176 2.6118 2.6118 2.0760 2.0760
H4 3.2038 1.9534 0.9595 4.0563 3.4931 3.4931 2.3218 2.3218
H5 1.0877 2.1452 3.3176 4.0563 1.7677 1.7677 2.4832 2.4832
H6 1.0869 2.1416 2.6118 3.4931 1.7677 1.7639 2.4853 3.0487
H7 1.0869 2.1416 2.6118 3.4931 1.7677 1.7639 3.0487 2.4853
H8 2.1465 1.0922 2.0760 2.3218 2.4832 2.4853 3.0487 1.7675
H9 2.1465 1.0922 2.0760 2.3218 2.4832 3.0487 2.4853 1.7675
Maximum atom distance is 4.0563Å 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 107.354
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.266 C1 C2 H9 110.266
C2 C1 H5 110.430 C2 C1 H6 110.189
C2 C1 H7 110.189 C2 O3 H4 108.478
O3 C2 H8 110.469 O3 C2 H9 110.469
H5 C1 H6 108.756 H5 C1 H7 108.756
H6 C1 H7 108.471 H8 C2 H9 108.029

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