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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

B1B95/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1609 -0.4119 0.0000   -1.1986 0.2844 0.0000
C2 0.0000 0.5512 0.0000   0.0594 -0.5480 0.0000
O3 -1.1891 -0.2086 0.0000   1.1597 0.3356 0.0000
H4 -1.9307 0.4048 0.0000   1.9631 -0.1943 0.0000
H5 2.1177 0.1263 0.0000   -2.0917 -0.3538 0.0000
H6 1.1223 -1.0562 0.8881   -1.2296 0.9291 0.8881
H7 1.1223 -1.0562 -0.8881   -1.2296 0.9291 -0.8881
H8 0.0579 1.2073 0.8889   0.0725 -1.2065 0.8889
H9 0.0579 1.2073 -0.8889   0.0725 -1.2065 -0.8889
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5084 2.3588 3.1977 1.0977 1.0978 1.0978 2.1514 2.1514
C2 1.5084 1.4111 1.9363 2.1599 2.1521 2.1521 1.1063 1.1063
O3 2.3588 1.4111 0.9624 3.3237 2.6172 2.6172 2.0857 2.0857
H4 3.1977 1.9363 0.9624 4.0580 3.4991 3.4991 2.3214 2.3214
H5 1.0977 2.1599 3.3237 4.0580 1.7826 1.7826 2.4902 2.4902
H6 1.0978 2.1521 2.6172 3.4991 1.7826 1.7761 2.5012 3.0681
H7 1.0978 2.1521 2.6172 3.4991 1.7826 1.7761 3.0681 2.5012
H8 2.1514 1.1063 2.0857 2.3214 2.4902 2.5012 3.0681 1.7777
H9 2.1514 1.1063 2.0857 2.3214 2.4902 3.0681 2.5012 1.7777
Maximum atom distance is 4.0580Å 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 107.745
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.777 C1 C2 H9 109.777
C2 C1 H5 110.964 C2 C1 H6 110.340
C2 C1 H7 110.340 C2 O3 H4 107.828
O3 C2 H8 111.312 O3 C2 H9 111.312
H5 C1 H6 108.567 H5 C1 H7 108.567
H6 C1 H7 107.982 H8 C2 H9 106.921

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