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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

QCISD/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 1.1902   1.1902 0.0000 0.0000
C2 0.0000 1.1749 0.3711   0.3711 1.1749 0.0000
C3 0.0000 0.6672 -1.0454   -1.0454 0.6672 0.0000
C4 0.0000 -0.6672 -1.0454   -1.0454 -0.6672 0.0000
C5 0.0000 -1.1749 0.3711   0.3711 -1.1749 0.0000
H6 0.8850 1.7808 0.5971   0.5971 1.7808 0.8850
H7 -0.8850 1.7808 0.5971   0.5971 1.7808 -0.8850
H8 -0.8850 -1.7808 0.5971   0.5971 -1.7808 -0.8850
H9 0.8850 -1.7808 0.5971   0.5971 -1.7808 0.8850
H10 0.0000 1.3157 -1.9095   -1.9095 1.3157 0.0000
H11 0.0000 -1.3157 -1.9095   -1.9095 -1.3157 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
O1 1.4323 2.3330 2.3330 1.4323 2.0751 2.0751 2.0751 2.0751 3.3674 3.3674
C2 1.4323 1.5047 2.3237 2.3498 1.0961 1.0961 3.0936 3.0936 2.2849 3.3770
C3 2.3330 1.5047 1.3344 2.3237 2.1728 2.1728 3.0779 3.0779 1.0804 2.1630
C4 2.3330 2.3237 1.3344 1.5047 3.0779 3.0779 2.1728 2.1728 2.1630 1.0804
C5 1.4323 2.3498 2.3237 1.5047 3.0936 3.0936 1.0961 1.0961 3.3770 2.2849
H6 2.0751 1.0961 2.1728 3.0779 3.0936 1.7699 3.9771 3.5616 2.6986 4.0810
H7 2.0751 1.0961 2.1728 3.0779 3.0936 1.7699 3.5616 3.9771 2.6986 4.0810
H8 2.0751 3.0936 3.0779 2.1728 1.0961 3.9771 3.5616 1.7699 4.0810 2.6986
H9 2.0751 3.0936 3.0779 2.1728 1.0961 3.5616 3.9771 1.7699 4.0810 2.6986
H10 3.3674 2.2849 1.0804 2.1630 3.3770 2.6986 2.6986 4.0810 4.0810 2.6314
H11 3.3674 3.3770 2.1630 1.0804 2.2849 4.0810 4.0810 2.6986 2.6986 2.6314
Maximum atom distance is 4.0810Å 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 105.168 O1 C5 C4 105.168
C2 O1 C5 110.229 C2 C3 C4 109.718
C3 C4 C5 109.718
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 109.603 O1 C2 H7 109.603
O1 C5 H8 109.603 O1 C5 H9 109.603
C2 C3 H10 123.397 C3 C2 H6 112.375
C3 C2 H7 112.375 C3 C4 H11 126.886
C4 C3 H10 126.886 C4 C5 H8 112.375
C4 C5 H9 112.375 C5 C4 H11 123.397
H6 C2 H7 107.682 H8 C5 H9 107.682

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