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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

BLYP/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 1.2056   1.2056 0.0000 0.0000
C2 0.0000 1.1831 0.3704   0.3704 1.1831 0.0000
C3 0.0000 0.6709 -1.0528   -1.0528 0.6709 0.0000
C4 0.0000 -0.6709 -1.0528   -1.0528 -0.6709 0.0000
C5 0.0000 -1.1831 0.3704   0.3704 -1.1831 0.0000
H6 0.8925 1.8045 0.5985   0.5985 1.8045 0.8925
H7 -0.8925 1.8045 0.5985   0.5985 1.8045 -0.8925
H8 -0.8925 -1.8045 0.5985   0.5985 -1.8045 -0.8925
H9 0.8925 -1.8045 0.5985   0.5985 -1.8045 0.8925
H10 0.0000 1.3266 -1.9252   -1.9252 1.3266 0.0000
H11 0.0000 -1.3266 -1.9252   -1.9252 -1.3266 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
O1 1.4483 2.3560 2.3560 1.4483 2.1027 2.1027 2.1027 2.1027 3.4003 3.4003
C2 1.4483 1.5125 2.3373 2.3663 1.1112 1.1112 3.1264 3.1264 2.3000 3.4012
C3 2.3560 1.5125 1.3419 2.3373 2.1928 2.1928 3.1066 3.1066 1.0913 2.1798
C4 2.3560 2.3373 1.3419 1.5125 3.1066 3.1066 2.1928 2.1928 2.1798 1.0913
C5 1.4483 2.3663 2.3373 1.5125 3.1264 3.1264 1.1112 1.1112 3.4012 2.3000
H6 2.1027 1.1112 2.1928 3.1066 3.1264 1.7850 4.0263 3.6090 2.7192 4.1194
H7 2.1027 1.1112 2.1928 3.1066 3.1264 1.7850 3.6090 4.0263 2.7192 4.1194
H8 2.1027 3.1264 3.1066 2.1928 1.1112 4.0263 3.6090 1.7850 4.1194 2.7192
H9 2.1027 3.1264 3.1066 2.1928 1.1112 3.6090 4.0263 1.7850 4.1194 2.7192
H10 3.4003 2.3000 1.0913 2.1798 3.4012 2.7192 2.7192 4.1194 4.1194 2.6532
H11 3.4003 3.4012 2.1798 1.0913 2.3000 4.1194 4.1194 2.7192 2.7192 2.6532
Maximum atom distance is 4.1194Å 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 105.427 O1 C5 C4 105.427
C2 O1 C5 109.558 C2 C3 C4 109.794
C3 C4 C5 109.794
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 109.779 O1 C2 H7 109.779
O1 C5 H8 109.779 O1 C5 H9 109.779
C2 C3 H10 123.278 C3 C2 H6 112.493
C3 C2 H7 112.493 C3 C4 H11 126.928
C4 C3 H10 126.928 C4 C5 H8 112.493
C4 C5 H9 112.493 C5 C4 H11 123.278
H6 C2 H7 106.875 H8 C5 H9 106.875

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