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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

B3LYP/CEP-121G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 1.1708 2.0443 0.0418   1.1361 -2.0632 0.0660
C2 0.6600 1.0895 0.0214   0.5868 -1.1303 0.0346
H3 2.2989 -0.4075 0.0101   -1.5445 -1.7507 0.0228
C4 1.2537 -0.1249 0.0047   -0.7591 -1.0055 0.0124
O5 0.3595 -1.2184 -0.0348   -1.2273 0.3268 -0.0419
H6 -1.2901 1.3365 -0.9532   1.8157 0.3965 -0.9515
H7 -1.3691 1.4110 0.8137   1.9148 0.4428 0.8153
C8 -0.8652 0.9181 -0.0290   1.2343 0.2607 -0.0277
H9 -1.5878 -1.0593 -0.8066   -0.0755 1.8990 -0.8259
H10 -1.4664 -0.9828 0.9779   -0.0791 1.7734 0.9599
C11 -1.0267 -0.6407 0.0342   -0.0128 1.2104 0.0220
Atom - Atom Distances (Å)
  H1 C2 H3 C4 O5 H6 H7 C8 H9 H10 C11
H1 1.0830 2.6991 2.1711 3.3630 2.7472 2.7291 2.3279 4.2382 4.1225 3.4697
C2 1.0830 2.2198 1.3519 2.3281 2.1941 2.2018 1.5357 3.2180 3.1195 2.4164
H3 2.6991 2.2198 1.0828 2.1026 4.1050 4.1721 3.4308 4.0247 3.9300 3.3339
C4 2.1711 1.3519 1.0828 1.4132 3.0862 3.1452 2.3620 3.0993 3.0137 2.3382
O5 3.3630 2.3281 2.1026 1.4132 3.1768 3.2591 2.4626 2.1007 2.1012 1.5033
H6 2.7472 2.1941 4.1050 3.0862 3.1768 1.7703 1.0999 2.4186 3.0231 2.2257
H7 2.7291 2.2018 4.1721 3.1452 3.2591 1.7703 1.0986 2.9623 2.4014 2.2213
C8 2.3279 1.5357 3.4308 2.3620 2.4626 1.0999 1.0986 2.2442 2.2335 1.5684
H9 4.2382 3.2180 4.0247 3.0993 2.1007 2.4186 2.9623 2.2442 1.7902 1.0940
H10 4.1225 3.1195 3.9300 3.0137 2.1012 3.0231 2.4014 2.2335 1.7902 1.0959
C11 3.4697 2.4164 3.3339 2.3382 1.5033 2.2257 2.2213 1.5684 1.0940 1.0959
Maximum atom distance is 4.2382Å 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 114.681 C2 C8 C11 102.234
C4 C2 C8 109.602 C4 O5 C11 106.549
O5 C11 C8 106.567
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C4 125.804 H1 C2 C8 124.577
C2 C4 H3 131.179 C2 C8 H6 111.641
C2 C8 H7 112.345 H3 C4 O5 114.139
O5 C11 H9 106.898 O5 C11 H10 106.830
H6 C8 H7 107.259 H6 C8 C11 111.849
H7 C8 C11 111.581 C8 C11 H9 113.707
C8 C11 H10 112.721 H9 C11 H10 109.668

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