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Geometry for CH3CH2O (Ethoxy radical) 2A' CS

1910171554
InChI=1S/C2H5O/c1-2-3/h2H2,1H3 INChIKey=VOLGAXAGEUPBDM-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 1.0559 -0.5695 0.0000   1.1728 -0.2526 0.0000
C2 0.0000 0.5265 0.0000   -0.1468 0.5056 0.0000
O3 -1.3100 0.0537 0.0000   -1.2730 -0.3136 0.0000
H4 2.0645 -0.1434 0.0000   2.0226 0.4378 0.0000
H5 0.9441 -1.1989 0.8861   1.2409 -0.8882 0.8861
H6 0.9441 -1.1989 -0.8861   1.2409 -0.8882 -0.8861
H7 0.0959 1.1849 0.8776   -0.2383 1.1647 0.8776
H8 0.0959 1.1849 -0.8776   -0.2383 1.1647 -0.8776
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.5219 2.4466 1.0949 1.0926 1.0926 2.1840 2.1840
C2 1.5219 1.3927 2.1704 2.1572 2.1572 1.1013 1.1013
O3 2.4466 1.3927 3.3802 2.7267 2.7267 2.0065 2.0065
H4 1.0949 2.1704 3.3802 1.7760 1.7760 2.5318 2.5318
H5 1.0926 2.1572 2.7267 1.7760 1.7721 2.5302 3.0842
H6 1.0926 2.1572 2.7267 1.7760 1.7721 3.0842 2.5302
H7 2.1840 1.1013 2.0065 2.5318 2.5302 3.0842 1.7551
H8 2.1840 1.1013 2.0065 2.5318 3.0842 2.5302 1.7551
Maximum atom distance is 3.3802Å between atoms O3 and H4.
picture of Ethoxy radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 O3 114.089
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.726 C1 C2 H8 111.726
C2 C1 H4 111.029 C2 C1 H5 110.113
C2 C1 H6 110.113 O3 C2 H7 106.549
O3 C2 H8 106.549 H4 C1 H5 108.567
H4 C1 H6 108.567 H5 C1 H6 108.385
H7 C2 H8 105.660

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