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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

LSDA/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 1.1755   1.1755 0.0000 0.0000
C2 0.0000 1.1573 0.3693   0.3693 1.1573 0.0000
C3 0.0000 0.6660 -1.0337   -1.0337 0.6660 0.0000
C4 0.0000 -0.6660 -1.0337   -1.0337 -0.6660 0.0000
C5 0.0000 -1.1573 0.3693   0.3693 -1.1573 0.0000
H6 0.8918 1.7857 0.5959   0.5959 1.7857 0.8918
H7 -0.8918 1.7857 0.5959   0.5959 1.7857 -0.8918
H8 -0.8918 -1.7857 0.5959   0.5959 -1.7857 -0.8918
H9 0.8918 -1.7857 0.5959   0.5959 -1.7857 0.8918
H10 0.0000 1.3237 -1.9074   -1.9074 1.3237 0.0000
H11 0.0000 -1.3237 -1.9074   -1.9074 -1.3237 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 H6 H7 H8 H9 H10 H11
O1 1.4104 2.3074 2.3074 1.4104 2.0784 2.0784 2.0784 2.0784 3.3551 3.3551
C2 1.4104 1.4866 2.3007 2.3146 1.1142 1.1142 3.0834 3.0834 2.2829 3.3674
C3 2.3074 1.4866 1.3320 2.3007 2.1690 2.1690 3.0760 3.0760 1.0936 2.1731
C4 2.3074 2.3007 1.3320 1.4866 3.0760 3.0760 2.1690 2.1690 2.1731 1.0936
C5 1.4104 2.3146 2.3007 1.4866 3.0834 3.0834 1.1142 1.1142 3.3674 2.2829
H6 2.0784 1.1142 2.1690 3.0760 3.0834 1.7836 3.9919 3.5713 2.6973 4.0903
H7 2.0784 1.1142 2.1690 3.0760 3.0834 1.7836 3.5713 3.9919 2.6973 4.0903
H8 2.0784 3.0834 3.0760 2.1690 1.1142 3.9919 3.5713 1.7836 4.0903 2.6973
H9 2.0784 3.0834 3.0760 2.1690 1.1142 3.5713 3.9919 1.7836 4.0903 2.6973
H10 3.3551 2.2829 1.0936 2.1731 3.3674 2.6973 2.6973 4.0903 4.0903 2.6474
H11 3.3551 3.3674 2.1731 1.0936 2.2829 4.0903 4.0903 2.6973 2.6973 2.6474
Maximum atom distance is 4.0903Å 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 105.561 O1 C5 C4 105.561
C2 O1 C5 110.282 C2 C3 C4 109.298
C3 C4 C5 109.298
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 110.275 O1 C2 H7 110.275
O1 C5 H8 110.275 O1 C5 H9 110.275
C2 C3 H10 123.730 C3 C2 H6 112.229
C3 C2 H7 112.229 C3 C4 H11 126.972
C4 C3 H10 126.972 C4 C5 H8 112.229
C4 C5 H9 112.229 C5 C4 H11 123.730
H6 C2 H7 106.332 H8 C5 H9 106.332

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