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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=FULL/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1732 -0.3908 0.0000   1.2050 -0.2777 0.0000
C2 0.0000 0.5598 0.0000   -0.0531 0.5573 0.0000
O3 -1.1916 -0.2352 0.0000   -1.1640 -0.3472 0.0000
H4 -1.9570 0.3521 0.0000   -1.9816 0.1648 0.0000
H5 2.1105 0.1638 0.0000   2.0854 0.3633 0.0000
H6 1.1414 -1.0244 0.8832   1.2335 -0.9115 0.8832
H7 1.1414 -1.0244 -0.8832   1.2335 -0.9115 -0.8832
H8 0.0288 1.2003 0.8853   -0.0852 1.1977 0.8853
H9 0.0288 1.2003 -0.8853   -0.0852 1.1977 -0.8853
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5100 2.3700 3.2172 1.0890 1.0874 1.0874 2.1506 2.1506
C2 1.5100 1.4325 1.9680 2.1473 2.1430 2.1430 1.0931 1.0931
O3 2.3700 1.4325 0.9647 3.3261 2.6165 2.6165 2.0819 2.0819
H4 3.2172 1.9680 0.9647 4.0719 3.5036 3.5036 2.3339 2.3339
H5 1.0890 2.1473 3.3261 4.0719 1.7694 1.7694 2.4883 2.4883
H6 1.0874 2.1430 2.6165 3.5036 1.7694 1.7664 2.4874 3.0520
H7 1.0874 2.1430 2.6165 3.5036 1.7694 1.7664 3.0520 2.4874
H8 2.1506 1.0931 2.0819 2.3339 2.4883 2.4874 3.0520 1.7706
H9 2.1506 1.0931 2.0819 2.3339 2.4883 3.0520 2.4874 1.7706
Maximum atom distance is 4.0719Å 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 107.275
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.392 C1 C2 H9 110.392
C2 C1 H5 110.371 C2 C1 H6 110.127
C2 C1 H7 110.127 C2 O3 H4 108.791
O3 C2 H8 110.312 O3 C2 H9 110.312
H5 C1 H6 108.775 H5 C1 H7 108.775
H6 C1 H7 108.622 H8 C2 H9 108.171

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