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Geometry for CH3CH2O (Ethoxy radical) 2A' CS

1910171554
InChI=1S/C2H5O/c1-2-3/h2H2,1H3 INChIKey=VOLGAXAGEUPBDM-UHFFFAOYSA-N

PBEPBE/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.0429 -0.6189 0.0000   -1.1888 0.2397 0.0000
C2 0.0000 0.4992 0.0000   0.1649 -0.4712 0.0000
O3 -1.3084 0.1280 0.0000   1.2773 0.3113 0.0000
H4 2.0659 -0.2044 0.0000   -2.0175 -0.4895 0.0000
H5 0.9244 -1.2554 0.8919   -1.2872 0.8796 0.8919
H6 0.9244 -1.2554 -0.8919   -1.2872 0.8796 -0.8919
H7 0.1475 1.2044 0.8640   0.2586 -1.1855 0.8640
H8 0.1475 1.2044 -0.8640   0.2586 -1.1855 -0.8640
Atom - Atom Distances (Å)
  C1 C2 O3 H4 H5 H6 H7 H8
C1 1.5290 2.4671 1.1038 1.1021 1.1021 2.2074 2.2074
C2 1.5290 1.3601 2.1824 2.1745 2.1745 1.1249 1.1249
O3 2.4671 1.3601 3.3907 2.7739 2.7739 2.0062 2.0062
H4 1.1038 2.1824 3.3907 1.7897 1.7897 2.5321 2.5321
H5 1.1021 2.1745 2.7739 1.7897 1.7837 2.5796 3.1204
H6 1.1021 2.1745 2.7739 1.7897 1.7837 3.1204 2.5796
H7 2.2074 1.1249 2.0062 2.5321 2.5796 3.1204 1.7280
H8 2.2074 1.1249 2.0062 2.5321 3.1204 2.5796 1.7280
Maximum atom distance is 3.3907Å 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 117.168
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 111.648 C1 C2 H8 111.648
C2 C1 H4 110.950 C2 C1 H5 110.424
C2 C1 H6 110.424 O3 C2 H7 107.293
O3 C2 H8 107.293 H4 C1 H5 108.455
H4 C1 H6 108.455 H5 C1 H6 108.047
H7 C2 H8 100.360

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