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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

CCD/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0926 0.5090 -0.1095   0.1128 0.5104 -0.0802
C2 1.2270 -0.1655 0.0125   -1.2326 -0.1176 0.0020
O3 -1.1649 -0.3410 0.0245   1.1506 -0.3873 0.0060
H4 -0.2279 1.5154 0.2747   0.2863 1.4872 0.3608
H5 1.2857 -1.0122 -0.6736   -1.3223 -0.9209 -0.7313
H6 2.0295 0.5325 -0.2275   -2.0063 0.6239 -0.1986
H7 1.3970 -0.5456 1.0276   -1.4205 -0.5479 0.9936
H8 -1.9715 0.1768 -0.0153   1.9769 0.0998 -0.0035
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4870 1.3749 1.0857 2.1289 2.1255 2.1503 1.9104
C2 1.4870 2.3984 2.2385 1.0914 1.0903 1.0971 3.2169
O3 1.3749 2.3984 2.0945 2.6351 3.3212 2.7589 0.9593
H4 1.0857 2.2385 2.0945 3.0951 2.5128 2.7304 2.2172
H5 2.1289 1.0914 2.6351 3.0951 1.7715 1.7676 3.5294
H6 2.1255 1.0903 3.3212 2.5128 1.7715 1.7713 4.0223
H7 2.1503 1.0971 2.7589 2.7304 1.7676 1.7713 3.5995
H8 1.9104 3.2169 0.9593 2.2172 3.5294 4.0223 3.5995
Maximum atom distance is 4.0223Å 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 113.813
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.366 C1 C2 H6 110.164
C1 C2 H7 111.750 C1 O3 H8 108.545
C2 C1 H4 120.134 O3 C1 H4 116.190
H5 C2 H6 108.582 H5 C2 H7 107.730
H6 C2 H7 108.148

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