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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

HSEh1PBE/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1664 -0.4044 0.0000   -1.2060 0.2637 0.0000
C2 0.0000 0.5508 0.0000   0.0651 -0.5470 0.0000
O3 -1.1918 -0.2146 0.0000   1.1581 0.3539 0.0000
H4 -1.9390 0.3847 0.0000   1.9709 -0.1528 0.0000
H5 2.1110 0.1422 0.0000   -2.0794 -0.3906 0.0000
H6 1.1352 -1.0430 0.8838   -1.2505 0.9016 0.8838
H7 1.1352 -1.0430 -0.8838   -1.2505 0.9016 -0.8838
H8 0.0468 1.1986 0.8852   0.0951 -1.1957 0.8852
H9 0.0468 1.1986 -0.8852   0.0951 -1.1957 -0.8852
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5076 2.3658 3.2041 1.0913 1.0908 1.0908 2.1462 2.1462
C2 1.5076 1.4164 1.9461 2.1501 2.1471 2.1471 1.0979 1.0979
O3 2.3658 1.4164 0.9579 3.3219 2.6234 2.6234 2.0772 2.0772
H4 3.2041 1.9461 0.9579 4.0572 3.5029 3.5029 2.3215 2.3215
H5 1.0913 2.1501 3.3219 4.0572 1.7714 1.7714 2.4820 2.4820
H6 1.0908 2.1471 2.6234 3.5029 1.7714 1.7676 2.4918 3.0559
H7 1.0908 2.1471 2.6234 3.5029 1.7714 1.7676 3.0559 2.4918
H8 2.1462 1.0979 2.0772 2.3215 2.4820 2.4918 3.0559 1.7703
H9 2.1462 1.0979 2.0772 2.3215 2.4820 3.0559 2.4918 1.7703
Maximum atom distance is 4.0572Å 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 107.974
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.927 C1 C2 H9 109.927
C2 C1 H5 110.632 C2 C1 H6 110.417
C2 C1 H7 110.417 C2 O3 H4 108.561
O3 C2 H8 110.778 O3 C2 H9 110.778
H5 C1 H6 108.538 H5 C1 H7 108.538
H6 C1 H7 108.228 H8 C2 H9 107.464

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