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Geometry for C4H4O (Furan) 1A1 C2V

1910171554
InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4H INChIKey=YLQBMQCUIZJEEH-UHFFFAOYSA-N

HF/6-311G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 1.1403   1.1403 0.0000 0.0000
C2 0.0000 1.0799 0.3443   0.3443 1.0799 0.0000
C3 0.0000 -1.0799 0.3443   0.3443 -1.0799 0.0000
C4 0.0000 0.7208 -0.9450   -0.9450 0.7208 0.0000
C5 0.0000 -0.7208 -0.9450   -0.9450 -0.7208 0.0000
H6 0.0000 2.0293 0.8341   0.8341 2.0293 0.0000
H7 0.0000 -2.0293 0.8341   0.8341 -2.0293 0.0000
H8 0.0000 1.3757 -1.7910   -1.7910 1.3757 0.0000
H9 0.0000 -1.3757 -1.7910   -1.7910 -1.3757 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 C4 C5 H6 H7 H8 H9
O1 1.3416 1.3416 2.2064 2.2064 2.0522 2.0522 3.2381 3.2381
C2 1.3416 2.1599 1.3383 2.2147 1.0683 3.1476 2.1557 3.2542
C3 1.3416 2.1599 2.2147 1.3383 3.1476 1.0683 3.2542 2.1557
C4 2.2064 1.3383 2.2147 1.4416 2.2085 3.2754 1.0699 2.2608
C5 2.2064 2.2147 1.3383 1.4416 3.2754 2.2085 2.2608 1.0699
H6 2.0522 1.0683 3.1476 2.2085 3.2754 4.0586 2.7053 4.2995
H7 2.0522 3.1476 1.0683 3.2754 2.2085 4.0586 4.2995 2.7053
H8 3.2381 2.1557 3.2542 1.0699 2.2608 2.7053 4.2995 2.7514
H9 3.2381 3.2542 2.1557 2.2608 1.0699 4.2995 2.7053 2.7514
Maximum atom distance is 4.2995Å between atoms H6 and H9.
picture of Furan
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C4 110.829 O1 C3 C5 110.829
C2 O1 C3 107.210 C2 C4 C5 105.566
C3 C5 C4 105.566
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H6 116.310 O1 C3 H7 116.310
C2 C4 H8 126.691 C3 C5 H9 126.691
C4 C2 H6 132.860 C4 C5 H9 127.743
C5 C3 H7 132.860 C5 C4 H8 127.743

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