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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

B3LYP/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0888 0.5047 -0.0956   0.1088 0.5047 -0.0724
C2 1.2281 -0.1639 0.0104   -1.2336 -0.1157 0.0020
O3 -1.1703 -0.3395 0.0221   1.1560 -0.3859 0.0075
H4 -0.2307 1.5279 0.2411   0.2900 1.5050 0.3107
H5 1.3036 -0.9936 -0.6983   -1.3399 -0.9087 -0.7438
H6 2.0298 0.5443 -0.2051   -2.0063 0.6325 -0.1816
H7 1.4092 -0.5799 1.0135   -1.4335 -0.5696 0.9850
H8 -1.9855 0.1721 -0.0169   1.9907 0.0945 -0.0076
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.4807 1.3771 1.0864 2.1324 2.1218 2.1566 1.9272
C2 1.4807 2.4049 2.2457 1.0938 1.0912 1.1010 3.2312
O3 1.3771 2.4049 2.1018 2.6584 3.3277 2.7739 0.9632
H4 1.0864 2.2457 2.1018 3.0975 2.5053 2.7801 2.2324
H5 2.1324 1.0938 2.6584 3.0975 1.7708 1.7643 3.5555
H6 2.1218 1.0912 3.3277 2.5053 1.7708 1.7703 4.0369
H7 2.1566 1.1010 2.7739 2.7801 1.7643 1.7703 3.6265
H8 1.9272 3.2312 0.9632 2.2324 3.5555 4.0369 3.6265
Maximum atom distance is 4.0369Å 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 114.553
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.950 C1 C2 H6 110.257
C1 C2 H7 112.468 C1 O3 H8 109.606
C2 C1 H4 121.283 O3 C1 H4 116.632
H5 C2 H6 108.279 H5 C2 H7 106.996
H6 C2 H7 107.718

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