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Geometry for C4H6O (Furan, 2,5-dihydro-) 1A1 C2V

1910171554
InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2 INChIKey=ARGCQEVBJHPOGB-UHFFFAOYSA-N

B2PLYP/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 1.1857   1.1857 0.0000 0.0000
C2 0.0000 1.1715 0.3746   0.3746 1.1715 0.0000
C3 0.0000 0.6665 -1.0457   -1.0457 0.6665 0.0000
C4 0.0000 -0.6665 -1.0457   -1.0457 -0.6665 0.0000
C5 0.0000 -1.1715 0.3746   0.3746 -1.1715 0.0000
H6 0.8857 1.7843 0.5973   0.5973 1.7843 0.8857
H7 -0.8857 1.7843 0.5973   0.5973 1.7843 -0.8857
H8 -0.8857 -1.7843 0.5973   0.5973 -1.7843 -0.8857
H9 0.8857 -1.7843 0.5973   0.5973 -1.7843 0.8857
H10 0.0000 1.3195 -1.9108   -1.9108 1.3195 0.0000
H11 0.0000 -1.3195 -1.9108   -1.9108 -1.3195 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
O1 1.4249 2.3288 2.3288 1.4249 2.0771 2.0771 2.0771 2.0771 3.3659 3.3659
C2 1.4249 1.5074 2.3228 2.3430 1.0998 1.0998 3.0936 3.0936 2.2902 3.3806
C3 2.3288 1.5074 1.3329 2.3228 2.1756 2.1756 3.0805 3.0805 1.0839 2.1662
C4 2.3288 2.3228 1.3329 1.5074 3.0805 3.0805 2.1756 2.1756 2.1662 1.0839
C5 1.4249 2.3430 2.3228 1.5074 3.0936 3.0936 1.0998 1.0998 3.3806 2.2902
H6 2.0771 1.0998 2.1756 3.0805 3.0936 1.7714 3.9840 3.5685 2.7001 4.0876
H7 2.0771 1.0998 2.1756 3.0805 3.0936 1.7714 3.5685 3.9840 2.7001 4.0876
H8 2.0771 3.0936 3.0805 2.1756 1.0998 3.9840 3.5685 1.7714 4.0876 2.7001
H9 2.0771 3.0936 3.0805 2.1756 1.0998 3.5685 3.9840 1.7714 4.0876 2.7001
H10 3.3659 2.2902 1.0839 2.1662 3.3806 2.7001 2.7001 4.0876 4.0876 2.6390
H11 3.3659 3.3806 2.1662 1.0839 2.2902 4.0876 4.0876 2.7001 2.7001 2.6390
Maximum atom distance is 4.0876Å between atoms H6 and H11.
picture of Furan, 2,5-dihydro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C3 105.120 O1 C5 C4 105.120
C2 O1 C5 110.608 C2 C3 C4 109.576
C3 C4 C5 109.576
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 110.050 O1 C2 H7 110.050
O1 C5 H8 110.050 O1 C5 H9 110.050
C2 C3 H10 123.375 C3 C2 H6 112.175
C3 C2 H7 112.175 C3 C4 H11 127.049
C4 C3 H10 127.049 C4 C5 H8 112.175
C4 C5 H9 112.175 C5 C4 H11 123.375
H6 C2 H7 107.287 H8 C5 H9 107.287

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