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Geometry for C2H2O (Oxirene) 1A1 C2V

1910171554
InChI=1S/C2H2O/c1-2-3-1/h1-2H INChIKey=BJEYNNFDAPPGST-UHFFFAOYSA-N

B2PLYP=FULL/aug-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 0.9042   0.9042 0.0000 0.0000
C2 0.0000 0.6389 -0.4687   -0.4687 0.6389 0.0000
C3 0.0000 -0.6389 -0.4687   -0.4687 -0.6389 0.0000
H4 0.0000 1.6626 -0.8047   -0.8047 1.6626 0.0000
H5 0.0000 -1.6626 -0.8047   -0.8047 -1.6626 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.5144 1.5144 2.3843 2.3843
C2 1.5144 1.2779 1.0774 2.3259
C3 1.5144 1.2779 2.3259 1.0774
H4 2.3843 1.0774 2.3259 3.3252
H5 2.3843 2.3259 1.0774 3.3252
Maximum atom distance is 3.3252Å between atoms H4 and H5.
picture of Oxirene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C3 65.044 O1 C3 C2 65.044
C2 O1 C3 49.913
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 133.128 O1 C3 H5 133.128
C2 C3 H5 161.829 C3 C2 H4 161.829

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