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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

HF/aug-cc-pVQZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1658 -0.4161 0.0000   -1.2086 0.2679 0.0000
C2 0.0000 0.5470 0.0000   0.0680 -0.5427 0.0000
O3 -1.1906 -0.1955 0.0000   1.1571 0.3421 0.0000
H4 -1.9337 0.3772 0.0000   1.9656 -0.1337 0.0000
H5 2.1033 0.1272 0.0000   -2.0712 -0.3879 0.0000
H6 1.1344 -1.0493 0.8774   -1.2562 0.9000 0.8774
H7 1.1344 -1.0493 -0.8774   -1.2562 0.9000 -0.8774
H8 0.0457 1.1867 0.8770   0.1023 -1.1831 0.8770
H9 0.0457 1.1867 -0.8770   0.1023 -1.1831 -0.8770
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5122 2.3668 3.1995 1.0836 1.0824 1.0824 2.1430 2.1430
C2 1.5122 1.4032 1.9411 2.1448 2.1459 2.1459 1.0865 1.0865
O3 2.3668 1.4032 0.9382 3.3097 2.6276 2.6276 2.0514 2.0514
H4 3.1995 1.9411 0.9382 4.0448 3.4954 3.4954 2.3114 2.3114
H5 1.0836 2.1448 3.3097 4.0448 1.7586 1.7586 2.4749 2.4749
H6 1.0824 2.1459 2.6276 3.4954 1.7586 1.7547 2.4869 3.0434
H7 1.0824 2.1459 2.6276 3.4954 1.7586 1.7547 3.0434 2.4869
H8 2.1430 1.0865 2.0514 2.3114 2.4749 2.4869 3.0434 1.7540
H9 2.1430 1.0865 2.0514 2.3114 2.4749 3.0434 2.4869 1.7540
Maximum atom distance is 4.0448Å 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 108.491
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.031 C1 C2 H9 110.031
C2 C1 H5 110.344 C2 C1 H6 110.497
C2 C1 H7 110.497 C2 O3 H4 110.426
O3 C2 H8 110.320 O3 C2 H9 110.320
H5 C1 H6 108.568 H5 C1 H7 108.568
H6 C1 H7 108.302 H8 C2 H9 107.646

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