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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

B3LYP/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8555   0.8555 0.0000 0.0000
C2 0.0000 0.7355 -0.3710   -0.3710 0.0000 0.7355
C3 0.0000 -0.7355 -0.3710   -0.3710 0.0000 -0.7355
H4 0.9274 1.2761 -0.5981   -0.5981 0.9274 1.2761
H5 -0.9274 1.2761 -0.5981   -0.5981 -0.9274 1.2761
H6 -0.9274 -1.2761 -0.5981   -0.5981 -0.9274 -1.2761
H7 0.9274 -1.2761 -0.5981   -0.5981 0.9274 -1.2761
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4301 1.4301 2.1451 2.1451 2.1451 2.1451
C2 1.4301 1.4710 1.0972 1.0972 2.2267 2.2267
C3 1.4301 1.4710 2.2267 2.2267 1.0972 1.0972
H4 2.1451 1.0972 2.2267 1.8547 3.1550 2.5522
H5 2.1451 1.0972 2.2267 1.8547 2.5522 3.1550
H6 2.1451 2.2267 1.0972 3.1550 2.5522 1.8547
H7 2.1451 2.2267 1.0972 2.5522 3.1550 1.8547
Maximum atom distance is 3.1550Å 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 59.050 O1 C3 C2 59.050
C2 O1 C3 61.900
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.528 O1 C2 H5 115.528
O1 C3 H6 115.528 O1 C3 H7 115.528
C2 C3 H6 119.518 C2 C3 H7 119.518
C3 C2 H4 119.518 C3 C2 H5 119.518
H4 C2 H5 115.389 H6 C3 H7 115.389

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