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Geometry for C3H6O (Oxetane) 1A1 C2V

1910171554
InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2 INChIKey=AHHWIHXENZJRFG-UHFFFAOYSA-N

CID/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 1.0626   1.0626 0.0000 0.0000
C2 0.0000 0.0000 -1.0712   -1.0712 0.0000 0.0000
C3 0.0000 1.0308 0.0657   0.0657 1.0308 0.0000
C4 0.0000 -1.0308 0.0657   0.0657 -1.0308 0.0000
H5 0.8863 0.0000 -1.7008   -1.7008 0.0000 0.8863
H6 -0.8863 0.0000 -1.7008   -1.7008 0.0000 -0.8863
H7 0.8881 1.6601 0.1350   0.1350 1.6601 0.8881
H8 -0.8881 1.6601 0.1350   0.1350 1.6601 -0.8881
H9 -0.8881 -1.6601 0.1350   0.1350 -1.6601 -0.8881
H10 0.8881 -1.6601 0.1350   0.1350 -1.6601 0.8881
Atom - Atom Distances (Å)
  O1 C2 C3 C4 H5 H6 H7 H8 H9 H10
O1 2.1338 1.4339 1.4339 2.9020 2.9020 2.0988 2.0988 2.0988 2.0988
C2 2.1338 1.5346 1.5346 1.0871 1.0871 2.2360 2.2360 2.2360 2.2360
C3 1.4339 1.5346 2.0615 2.2290 2.2290 1.0907 1.0907 2.8345 2.8345
C4 1.4339 1.5346 2.0615 2.2290 2.2290 2.8345 2.8345 1.0907 1.0907
H5 2.9020 1.0871 2.2290 2.2290 1.7725 2.4751 3.0454 3.0454 2.4751
H6 2.9020 1.0871 2.2290 2.2290 1.7725 3.0454 2.4751 2.4751 3.0454
H7 2.0988 2.2360 1.0907 2.8345 2.4751 3.0454 1.7762 3.7655 3.3203
H8 2.0988 2.2360 1.0907 2.8345 3.0454 2.4751 1.7762 3.3203 3.7655
H9 2.0988 2.2360 2.8345 1.0907 3.0454 2.4751 3.7655 3.3203 1.7762
H10 2.0988 2.2360 2.8345 1.0907 2.4751 3.0454 3.3203 3.7655 1.7762
Maximum atom distance is 3.7655Å between atoms H7 and H9.
picture of Oxetane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 C2 91.846 O1 C4 C2 91.846
C3 O1 C4 91.915 C3 C2 C4 84.392
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H7 111.754 O1 C3 H8 111.754
O1 C4 H9 111.754 O1 C4 H10 111.754
C2 C3 H7 115.764 C2 C3 H8 115.764
C2 C4 H9 115.764 C2 C4 H10 115.764
C3 C2 H5 115.407 C3 C2 H6 115.407
C4 C2 H5 115.407 C4 C2 H6 115.407
H5 C2 H6 109.221 H7 C3 H8 109.023
H9 C4 H10 109.023

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