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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

PBEPBE/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2700 0.0000   0.2490 -0.1044 0.0000
C2 1.3207 -0.0980 0.0000   0.4202 1.2559 0.0000
C3 1.3123 -1.5341 0.0000   -0.9075 1.8033 0.0000
C4 -0.0017 -1.9187 0.0000   -1.7701 0.7402 0.0000
O5 -0.8267 -0.8157 0.0000   -1.0719 -0.4471 0.0000
Cl6 -0.7657 1.8065 0.0000   1.3700 -1.4046 0.0000
H7 2.1776 0.5704 0.0000   1.3679 1.7877 0.0000
H8 2.1786 -2.1925 0.0000   -1.1798 2.8569 0.0000
H9 -0.5130 -2.8769 0.0000   -2.8515 0.6392 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 Cl6 H7 H8 H9
C1 1.3710 2.2309 2.1886 1.3646 1.7167 2.1982 3.2879 3.1884
C2 1.3710 1.4361 2.2502 2.2642 2.8250 1.0867 2.2634 3.3293
C3 2.2309 1.4361 1.3691 2.2564 3.9342 2.2755 1.0882 2.2659
C4 2.1886 2.2502 1.3691 1.3774 3.8027 3.3083 2.1974 1.0861
O5 1.3646 2.2642 2.2564 1.3774 2.6229 3.3086 3.3057 2.0849
Cl6 1.7167 2.8250 3.9342 3.8027 2.6229 3.1923 4.9660 4.6902
H7 2.1982 1.0867 2.2755 3.3083 3.3086 3.1923 2.7629 4.3730
H8 3.2879 2.2634 1.0882 2.1974 3.3057 4.9660 2.7629 2.7772
H9 3.1884 3.3293 2.2659 1.0861 2.0849 4.6902 4.3730 2.7772
Maximum atom distance is 4.9660Å 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 105.232 C1 O5 C4 105.915
C2 C1 O5 111.719 C2 C1 Cl6 132.059
C2 C3 C4 106.650 C3 C4 O5 110.484
O5 C1 Cl6 116.222
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.473 C2 C3 H8 126.897
C3 C2 H7 128.295 C3 C4 H9 134.395
C4 C3 H8 126.452 O5 C4 H9 115.120

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