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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

HF/6-31G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
H1 1.3390 1.8772 0.0005   0.4728 2.2568 0.0006
C2 0.7430 0.9909 -0.0001   0.2250 1.2179 -0.0001
H3 2.1935 -0.6262 0.0000   -1.9471 1.1885 0.0000
C4 1.1971 -0.2472 0.0000   -0.9931 0.7127 0.0000
O5 0.2033 -1.2103 -0.0000   -1.0277 -0.6708 -0.0000
H6 -1.1822 1.4809 -0.8730   1.8901 0.1344 -0.8730
H7 -1.1820 1.4811 0.8729   1.8902 0.1347 0.8729
C8 -0.7734 0.9848 -0.0000   1.2483 0.0988 -0.0000
H9 -1.6239 -0.8534 -0.8805   0.4731 -1.7725 -0.8805
H10 -1.6239 -0.8535 0.8806   0.4730 -1.7725 0.8806
C11 -1.0913 -0.5324 0.0001   0.3481 -1.1633 0.0001
Atom - Atom Distances (Å)
  H1 C2 H3 C4 O5 H6 H7 C8 H9 H10 C11
H1 1.0681 2.6453 2.1292 3.2898 2.6975 2.6969 2.2932 4.1245 4.1243 3.4224
C2 1.0681 2.1723 1.3187 2.2664 2.1699 2.1699 1.5164 3.1271 3.1272 2.3844
H3 2.6453 2.1723 1.0661 2.0742 4.0741 4.0740 3.3761 3.9243 3.9243 3.2862
C4 2.1292 1.3187 1.0661 1.3839 3.0675 3.0675 2.3239 3.0168 3.0168 2.3061
O5 3.2898 2.2664 2.0742 1.3839 3.1503 3.1504 2.4026 2.0594 2.0595 1.4613
H6 2.6975 2.1699 4.0741 3.0675 3.1503 1.7459 1.0841 2.3758 2.9529 2.1964
H7 2.6969 2.1699 4.0740 3.0675 3.1504 1.7459 1.0841 2.9529 2.3761 2.1965
C8 2.2932 1.5164 3.3761 2.3239 2.4026 1.0841 1.0841 2.2085 2.2087 1.5502
H9 4.1245 3.1271 3.9243 3.0168 2.0594 2.3758 2.9529 2.2085 1.7611 1.0780
H10 4.1243 3.1272 3.9243 3.0168 2.0595 2.9529 2.3761 2.2087 1.7611 1.0780
C11 3.4224 2.3844 3.2862 2.3061 1.4613 2.1964 2.1965 1.5502 1.0780 1.0780
Maximum atom distance is 4.1245Å 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 113.961 C2 C8 C11 102.063
C4 C2 C8 109.911 C4 O5 C11 108.261
O5 C11 C8 105.804
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
H1 C2 C4 125.943 H1 C2 C8 124.145
C2 C4 H3 130.967 C2 C8 H6 112.037
C2 C8 H7 112.033 H3 C4 O5 115.072
O5 C11 H9 107.430 O5 C11 H10 107.434
H6 C8 H7 107.263 H6 C8 C11 111.752
H7 C8 C11 111.761 C8 C11 H9 113.123
C8 C11 H10 113.132 H9 C11 H10 109.536

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