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Geometry for C4H3ClO (Furan, 2-chloro) 1A' CS

1910171554
InChI=1S/C4H3ClO/c5-4-2-1-3-6-4/h1-3H INChIKey=YSMYHWBQQONPRD-UHFFFAOYSA-N

MP2=FULL/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2590 0.0000   0.2406 -0.0958 0.0000
C2 1.3453 -0.0781 0.0000   0.4250 1.2788 0.0000
C3 1.3727 -1.5335 0.0000   -0.9171 1.8425 0.0000
C4 0.0561 -1.9561 0.0000   -1.7967 0.7755 0.0000
O5 -0.8371 -0.8678 0.0000   -1.1158 -0.4568 0.0000
Cl6 -0.8231 1.8413 0.0000   1.4064 -1.4457 0.0000
H7 2.1930 0.6145 0.0000   1.3819 1.8103 0.0000
H8 2.2618 -2.1729 0.0000   -1.1824 2.9050 0.0000
H9 -0.4107 -2.9501 0.0000   -2.8929 0.7094 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 Cl6 H7 H8 H9
C1 1.3869 2.2577 2.2158 1.4037 1.7836 2.2217 3.3210 3.2353
C2 1.3869 1.4557 2.2780 2.3209 2.8959 1.0946 2.2865 3.3664
C3 2.2577 1.4557 1.3829 2.3079 4.0263 2.2992 1.0951 2.2776
C4 2.2158 2.2780 1.3829 1.4079 3.8979 3.3428 2.2163 1.0982
O5 1.4037 2.3209 2.3079 1.4079 2.7092 3.3732 3.3625 2.1256
Cl6 1.7836 2.8959 4.0263 3.8979 2.7092 3.2561 5.0626 4.8092
H7 2.2217 1.0946 2.2992 3.3428 3.3732 3.2561 2.7882 4.4143
H8 3.3210 2.2865 1.0951 2.2163 3.3625 5.0626 2.7882 2.7832
H9 3.2353 3.3664 2.2776 1.0982 2.1256 4.8092 4.4143 2.7832
Maximum atom distance is 5.0626Å between atoms Cl6 and H8.
picture of Furan, 2-chloro
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 105.142 C1 O5 C4 104.016
C2 C1 O5 112.547 C2 C1 Cl6 131.544
C2 C3 C4 106.716 C3 C4 O5 111.580
O5 C1 Cl6 115.909
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.690 C2 C3 H8 126.803
C3 C2 H7 128.168 C3 C4 H9 132.947
C4 C3 H8 126.481 O5 C4 H9 115.472

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