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Geometry for C2H4O (Ethylene oxide) 1A1 C2V

1910171554
InChI=1S/C2H4O/c1-2-3-1/h1-2H2 INChIKey=IAYPIBMASNFSPL-UHFFFAOYSA-N

B3PW91/6-31G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8503   0.8503 0.0000 0.0000
C2 0.0000 0.7326 -0.3694   -0.3694 0.0000 0.7326
C3 0.0000 -0.7326 -0.3694   -0.3694 0.0000 -0.7326
H4 0.9212 1.2722 -0.5924   -0.5924 0.9212 1.2722
H5 -0.9212 1.2722 -0.5924   -0.5924 -0.9212 1.2722
H6 -0.9212 -1.2722 -0.5924   -0.5924 -0.9212 -1.2722
H7 0.9212 -1.2722 -0.5924   -0.5924 0.9212 -1.2722
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4228 1.4228 2.1327 2.1327 2.1327 2.1327
C2 1.4228 1.4653 1.0906 1.0906 2.2176 2.2176
C3 1.4228 1.4653 2.2176 2.2176 1.0906 1.0906
H4 2.1327 1.0906 2.2176 1.8423 3.1413 2.5444
H5 2.1327 1.0906 2.2176 1.8423 2.5444 3.1413
H6 2.1327 2.2176 1.0906 3.1413 2.5444 1.8423
H7 2.1327 2.2176 1.0906 2.5444 3.1413 1.8423
Maximum atom distance is 3.1413Å between atoms H4 and H6.
picture of Ethylene oxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C3 59.007 O1 C3 C2 59.007
C2 O1 C3 61.986
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.468 O1 C2 H5 115.468
O1 C3 H6 115.468 O1 C3 H7 115.468
C2 C3 H6 119.652 C2 C3 H7 119.652
C3 C2 H4 119.652 C3 C2 H5 119.652
H4 C2 H5 115.271 H6 C3 H7 115.271

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