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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

B2PLYP=FULL/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0919 0.5110 -0.1085   0.1123 0.5117 -0.0829
C2 1.2244 -0.1642 0.0121   -1.2299 -0.1160 0.0033
O3 -1.1633 -0.3410 0.0240   1.1488 -0.3876 0.0076
H4 -0.2301 1.5198 0.2749   0.2893 1.4939 0.3505
H5 1.2827 -1.0144 -0.6716   -1.3201 -0.9281 -0.7220
H6 2.0333 0.5266 -0.2290   -2.0103 0.6175 -0.2036
H7 1.4024 -0.5518 1.0255   -1.4257 -0.5462 0.9959
H8 -1.9773 0.1673 -0.0137   1.9824 0.0893 -0.0043
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4842 1.3752 1.0881 2.1291 2.1286 2.1560 1.9188
C2 1.4842 2.3942 2.2407 1.0925 1.0908 1.0994 3.2188
O3 1.3752 2.3942 2.0967 2.6306 3.3219 2.7622 0.9604
H4 1.0881 2.2407 2.0967 3.0995 2.5226 2.7423 2.2283
H5 2.1291 1.0925 2.6306 3.0995 1.7704 1.7630 3.5294
H6 2.1286 1.0908 3.3219 2.5226 1.7704 1.7706 4.0324
H7 2.1560 1.0994 2.7622 2.7423 1.7630 1.7706 3.6082
H8 1.9188 3.2188 0.9604 2.2283 3.5294 4.0324 3.6082
Maximum atom distance is 4.0324Å 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 113.656
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.516 C1 C2 H6 110.583
C1 C2 H7 112.267 C1 O3 H8 109.187
C2 C1 H4 120.385 O3 C1 H4 116.197
H5 C2 H6 108.357 H5 C2 H7 107.086
H6 C2 H7 107.874

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