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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

HSEh1PBE/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 1.0649   1.0649 0.0000 0.0000
C2 0.0000 0.0000 -1.0715   -1.0715 0.0000 0.0000
C3 0.0000 1.0294 0.0663   0.0663 1.0294 0.0000
C4 0.0000 -1.0294 0.0663   0.0663 -1.0294 0.0000
H5 0.8948 0.0000 -1.7079   -1.7079 0.0000 0.8948
H6 -0.8948 0.0000 -1.7079   -1.7079 0.0000 -0.8948
H7 0.8964 1.6712 0.1326   0.1326 1.6712 0.8964
H8 -0.8964 1.6712 0.1326   0.1326 1.6712 -0.8964
H9 -0.8964 -1.6712 0.1326   0.1326 -1.6712 -0.8964
H10 0.8964 -1.6712 0.1326   0.1326 -1.6712 0.8964
Atom - Atom Distances (Å)
  O1 C2 C3 C4 H5 H6 H7 H8 H9 H10
O1 2.1363 1.4342 1.4342 2.9136 2.9136 2.1132 2.1132 2.1132 2.1132
C2 2.1363 1.5343 1.5343 1.0980 1.0980 2.2463 2.2463 2.2463 2.2463
C3 1.4342 1.5343 2.0589 2.2379 2.2379 1.1044 1.1044 2.8463 2.8463
C4 1.4342 1.5343 2.0589 2.2379 2.2379 2.8463 2.8463 1.1044 1.1044
H5 2.9136 1.0980 2.2379 2.2379 1.7895 2.4860 3.0641 3.0641 2.4860
H6 2.9136 1.0980 2.2379 2.2379 1.7895 3.0641 2.4860 2.4860 3.0641
H7 2.1132 2.2463 1.1044 2.8463 2.4860 3.0641 1.7929 3.7928 3.3423
H8 2.1132 2.2463 1.1044 2.8463 3.0641 2.4860 1.7929 3.3423 3.7928
H9 2.1132 2.2463 2.8463 1.1044 3.0641 2.4860 3.7928 3.3423 1.7929
H10 2.1132 2.2463 2.8463 1.1044 2.4860 3.0641 3.3423 3.7928 1.7929
Maximum atom distance is 3.7928Å 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 91.989 O1 C4 C2 91.989
C3 O1 C4 91.742 C3 C2 C4 84.279
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C3 H7 112.041 O1 C3 H8 112.041
O1 C4 H9 112.041 O1 C4 H10 112.041
C2 C3 H7 115.744 C2 C3 H8 115.744
C2 C4 H9 115.744 C2 C4 H10 115.744
C3 C2 H5 115.454 C3 C2 H6 115.454
C4 C2 H5 115.454 C4 C2 H6 115.454
H5 C2 H6 109.153 H7 C3 H8 108.516
H9 C4 H10 108.516

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