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Geometry for CH3CHOH (1-hydroxy-ethyl radical) 2A C1

1910171554
InChI=1S/C2H5O/c1-2-3/h2-3H,1H3 INChIKey=GAWIXWVDTYZWAW-UHFFFAOYSA-N

PBEPBE/6-31G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0912 0.5091 -0.1039   0.1113 0.5097 -0.0780
C2 1.2297 -0.1634 0.0111   -1.2352 -0.1156 0.0011
O3 -1.1732 -0.3453 0.0249   1.1587 -0.3917 0.0092
H4 -0.2275 1.5352 0.2678   0.2862 1.5098 0.3452
H5 1.2961 -1.0216 -0.6829   -1.3325 -0.9346 -0.7354
H6 2.0402 0.5424 -0.2359   -2.0167 0.6328 -0.2112
H7 1.4321 -0.5618 1.0313   -1.4564 -0.5566 0.9996
H8 -1.9868 0.1942 -0.0231   1.9930 0.1174 -0.0104
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4867 1.3847 1.0999 2.1454 2.1357 2.1807 1.9233
C2 1.4867 2.4098 2.2527 1.1057 1.1027 1.1138 3.2366
O3 1.3847 2.4098 2.1189 2.6562 3.3439 2.8012 0.9775
H4 1.0999 2.2527 2.1189 3.1245 2.5262 2.7811 2.2312
H5 2.1454 1.1057 2.6562 3.1245 1.7888 1.7800 3.5625
H6 2.1357 1.1027 3.3439 2.5262 1.7888 1.7874 4.0477
H7 2.1807 1.1138 2.8012 2.7811 1.7800 1.7874 3.6568
H8 1.9233 3.2366 0.9775 2.2312 3.5625 4.0477 3.6568
Maximum atom distance is 4.0477Å between atoms H6 and H8.
picture of 1-hydroxy-ethyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 O3 114.077
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.848 C1 C2 H6 110.254
C1 C2 H7 113.207 C1 O3 H8 107.774
C2 C1 H4 120.400 O3 C1 H4 116.576
H5 C2 H6 108.187 H5 C2 H7 106.643
H6 C2 H7 107.489

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