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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/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2005 -0.4316 0.0000   -1.2413 0.2944 0.0000
C2 0.0000 0.5647 0.0000   0.0632 -0.5611 0.0000
O3 -1.2357 -0.2175 0.0000   1.2035 0.3545 0.0000
H4 -1.9370 0.5185 0.0000   1.9829 -0.2983 0.0000
H5 2.1548 0.1214 0.0000   -2.1277 -0.3620 0.0000
H6 1.1646 -1.0750 0.8948   -1.2777 0.9378 0.8948
H7 1.1646 -1.0750 -0.8948   -1.2777 0.9378 -0.8948
H8 0.0676 1.2257 0.8968   0.0701 -1.2255 0.8968
H9 0.0676 1.2257 -0.8968   0.0701 -1.2255 -0.8968
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5600 2.4456 3.2782 1.1030 1.1027 1.1027 2.1987 2.1987
C2 1.5600 1.4624 1.9376 2.2000 2.2013 2.2013 1.1161 1.1161
O3 2.4456 1.4624 1.0167 3.4074 2.7014 2.7014 2.1414 2.1414
H4 3.2782 1.9376 1.0167 4.1111 3.6000 3.6000 2.3072 2.3072
H5 1.1030 2.2000 3.4074 4.1111 1.7923 1.7923 2.5259 2.5259
H6 1.1027 2.2013 2.7014 3.6000 1.7923 1.7895 2.5488 3.1155
H7 1.1027 2.2013 2.7014 3.6000 1.7923 1.7895 3.1155 2.5488
H8 2.1987 1.1161 2.1414 2.3072 2.5259 2.5488 3.1155 1.7937
H9 2.1987 1.1161 2.1414 2.3072 2.5259 3.1155 2.5488 1.7937
Maximum atom distance is 4.1111Å 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 107.977
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 109.362 C1 C2 H9 109.362
C2 C1 H5 110.224 C2 C1 H6 110.341
C2 C1 H7 110.341 C2 O3 H4 101.283
O3 C2 H8 111.589 O3 C2 H9 111.589
H5 C1 H6 108.705 H5 C1 H7 108.705
H6 C1 H7 108.472 H8 C2 H9 106.936

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