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Geometry for CH3CH2OH (Ethanol) 1A' CS

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

MP2/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.1970 -0.3701 0.0000   1.2187 -0.2907 0.0000
C2 0.0000 0.5791 0.0000   -0.0380 0.5778 0.0000
O3 -1.2081 -0.2708 0.0000   -1.1877 -0.3496 0.0000
H4 -2.0146 0.2856 0.0000   -2.0290 0.1526 0.0000
H5 2.1381 0.1971 0.0000   2.1206 0.3371 0.0000
H6 1.1673 -1.0102 0.8900   1.2311 -0.9313 0.8900
H7 1.1673 -1.0102 -0.8900   1.2311 -0.9313 -0.8900
H8 0.0125 1.2253 0.8923   -0.0680 1.2234 0.8923
H9 0.0125 1.2253 -0.8923   -0.0680 1.2234 -0.8923
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8 H9
C1 1.5276 2.4071 3.2778 1.0989 1.0966 1.0966 2.1782 2.1782
C2 1.5276 1.4771 2.0358 2.1720 2.1634 2.1634 1.1018 1.1018
O3 2.4071 1.4771 0.9798 3.3788 2.6422 2.6422 2.1270 2.1270
H4 3.2778 2.0358 0.9798 4.1537 3.5490 3.5490 2.4059 2.4059
H5 1.0989 2.1720 3.3788 4.1537 1.7866 1.7866 2.5243 2.5243
H6 1.0966 2.1634 2.6422 3.5490 1.7866 1.7799 2.5161 3.0834
H7 1.0966 2.1634 2.6422 3.5490 1.7866 1.7799 3.0834 2.5161
H8 2.1782 1.1018 2.1270 2.4059 2.5243 2.5161 3.0834 1.7846
H9 2.1782 1.1018 2.1270 2.4059 2.5243 3.0834 2.5161 1.7846
Maximum atom distance is 4.1537Å 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 106.461
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H8 110.827 C1 C2 H9 110.827
C2 C1 H5 110.510 C2 C1 H6 109.966
C2 C1 H7 109.966 C2 O3 H4 110.274
O3 C2 H8 110.286 O3 C2 H9 110.286
H5 C1 H6 108.931 H5 C1 H7 108.931
H6 C1 H7 108.495 H8 C2 H9 108.166

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