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Geometry for C4H6O (Furan, 2,3-dihydro-) 1A C1

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

wB97X-D/cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 1.1255 2.0293 0.0634   1.3052 1.9190 0.0520
C2 0.6135 1.0783 0.0332   0.6866 1.0334 0.0272
H3 2.2461 -0.3830 0.0194   -1.3535 1.8329 0.0252
C4 1.1975 -0.1166 0.0092   -0.6434 1.0166 0.0118
O5 0.3443 -1.1779 -0.0568   -1.2070 -0.2233 -0.0487
H6 -1.2898 1.2671 -0.9930   1.7058 -0.5824 -1.0031
H7 -1.4232 1.3859 0.7630   1.8833 -0.6452 0.7519
C8 -0.8834 0.8868 -0.0481   1.1893 -0.3894 -0.0552
H9 -1.5964 -1.1013 -0.7364   -0.2689 -1.9225 -0.7316
H10 -1.3902 -0.9691 1.0279   -0.2324 -1.6761 1.0321
C11 -0.9985 -0.6495 0.0573   -0.1297 -1.1839 0.0601
Atom - Atom Distances (Å)
  H1 C2 H3 C4 O5 H6 H7 C8 H9 H10 C11
H1 1.0805 2.6602 2.1478 3.3031 2.7442 2.7202 2.3138 4.2248 4.0311 3.4187
C2 1.0805 2.1911 1.3302 2.2740 2.1705 2.1852 1.5113 3.1979 3.0325 2.3631
H3 2.6602 2.1911 1.0820 2.0627 4.0312 4.1407 3.3780 3.9815 3.8189 3.2558
C4 2.1478 1.3302 1.0820 1.3633 3.0176 3.1135 2.3109 3.0547 2.9087 2.2602
O5 3.3031 2.2740 2.0627 1.3633 3.0862 3.2201 2.4021 2.0577 2.0564 1.4476
H6 2.7442 2.1705 4.0312 3.0176 3.0862 1.7650 1.0966 2.4019 3.0158 2.2049
H7 2.7202 2.1852 4.1407 3.1135 3.2201 1.7650 1.0947 2.9093 2.3700 2.1956
C8 2.3138 1.5113 3.3780 2.3109 2.4021 1.0966 1.0947 2.2214 2.2043 1.5442
H9 4.2248 3.1979 3.9815 3.0547 2.0577 2.4019 2.9093 2.2214 1.7812 1.0916
H10 4.0311 3.0325 3.8189 2.9087 2.0564 3.0158 2.3700 2.2043 1.7812 1.0944
C11 3.4187 2.3631 3.2558 2.2602 1.4476 2.2049 2.1956 1.5442 1.0916 1.0944
Maximum atom distance is 4.2248Å between atoms H1 and H9.
picture of Furan, 2,3-dihydro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C4 O5 115.176 C2 C8 C11 101.318
C4 C2 C8 108.664 C4 O5 C11 107.010
O5 C11 C8 106.776
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C4 125.664 H1 C2 C8 125.625
C2 C4 H3 130.274 C2 C8 H6 111.682
C2 C8 H7 113.002 H3 C4 O5 114.543
O5 C11 H9 107.436 O5 C11 H10 107.180
H6 C8 H7 107.310 H6 C8 C11 112.103
H7 C8 C11 111.482 C8 C11 H9 113.764
C8 C11 H10 112.200 H9 C11 H10 109.142

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