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Geometry for C4H4O (Furan) 1A1 C2V

1910171554
InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H INChIKey=YLQBMQCUIZJEEH-UHFFFAOYSA-N

HF/CEP-121G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.1493   1.1493 0.0000 0.0000
C2 0.0000 1.0871 0.3457   0.3457 1.0871 0.0000
C3 0.0000 -1.0871 0.3457   0.3457 -1.0871 0.0000
C4 0.0000 0.7249 -0.9518   -0.9518 0.7249 0.0000
C5 0.0000 -0.7249 -0.9518   -0.9518 -0.7249 0.0000
H6 0.0000 2.0376 0.8392   0.8392 2.0376 0.0000
H7 0.0000 -2.0376 0.8392   0.8392 -2.0376 0.0000
H8 0.0000 1.3810 -1.7999   -1.7999 1.3810 0.0000
H9 0.0000 -1.3810 -1.7999   -1.7999 -1.3810 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 H6 H7 H8 H9
O1 1.3519 1.3519 2.2226 2.2226 2.0610 2.0610 3.2565 3.2565
C2 1.3519 2.1742 1.3470 2.2286 1.0710 3.1634 2.1656 3.2703
C3 1.3519 2.1742 2.2286 1.3470 3.1634 1.0710 3.2703 2.1656
C4 2.2226 1.3470 2.2286 1.4499 2.2205 3.2923 1.0723 2.2703
C5 2.2226 2.2286 1.3470 1.4499 3.2923 2.2205 2.2703 1.0723
H6 2.0610 1.0710 3.1634 2.2205 3.2923 4.0752 2.7196 4.3188
H7 2.0610 3.1634 1.0710 3.2923 2.2205 4.0752 4.3188 2.7196
H8 3.2565 2.1656 3.2703 1.0723 2.2703 2.7196 4.3188 2.7620
H9 3.2565 3.2703 2.1656 2.2703 1.0723 4.3188 2.7196 2.7620
Maximum atom distance is 4.3188Å between atoms H6 and H9.
picture of Furan
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C4 110.877 O1 C3 C5 110.877
C2 O1 C3 107.053 C2 C4 C5 105.597
C3 C5 C4 105.597
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 116.084 O1 C3 H7 116.084
C2 C4 H8 126.682 C3 C5 H9 126.682
C4 C2 H6 133.039 C4 C5 H9 127.721
C5 C3 H7 133.039 C5 C4 H8 127.721

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