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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

HF/TZVP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.2559 0.0000   0.2356 -0.0999 0.0000
C2 1.2920 -0.0717 0.0000   0.4385 1.2174 0.0000
C3 1.3052 -1.5131 0.0000   -0.8833 1.7924 0.0000
C4 0.0266 -1.8937 0.0000   -1.7330 0.7639 0.0000
O5 -0.7874 -0.8165 0.0000   -1.0591 -0.4061 0.0000
Cl6 -0.7807 1.7803 0.0000   1.3342 -1.4139 0.0000
H7 2.1231 0.5984 0.0000   1.3799 1.7209 0.0000
H8 2.1620 -2.1519 0.0000   -1.1369 2.8306 0.0000
H9 -0.4556 -2.8451 0.0000   -2.7971 0.6915 0.0000
Atom - Atom Distances (Å)
  C1 C2 C3 C4 O5 Cl6 H7 H8 H9
C1 1.3329 2.1983 2.1498 1.3304 1.7127 2.1505 3.2360 3.1343
C2 1.3329 1.4415 2.2183 2.2088 2.7796 1.0676 2.2548 3.2781
C3 2.1983 1.4415 1.3341 2.2055 3.8984 2.2644 1.0688 2.2078
C4 2.1498 2.2183 1.3341 1.3502 3.7617 3.2567 2.1510 1.0666
O5 1.3304 2.2088 2.2055 1.3502 2.5968 3.2362 3.2376 2.0556
Cl6 1.7127 2.7796 3.8984 3.7617 2.5968 3.1351 4.9114 4.6368
H7 2.1505 1.0676 2.2644 3.2567 3.2362 3.1351 2.7506 4.3020
H8 3.2360 2.2548 1.0688 2.1510 3.2376 4.9114 2.7506 2.7078
H9 3.1343 3.2781 2.2078 1.0666 2.0556 4.6368 4.3020 2.7078
Maximum atom distance is 4.9114Å 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 104.752 C1 O5 C4 106.634
C2 C1 O5 112.062 C2 C1 Cl6 131.346
C2 C3 C4 106.053 C3 C4 O5 110.499
O5 C1 Cl6 116.592
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 126.894 C2 C3 H8 127.235
C3 C2 H7 128.353 C3 C4 H9 133.455
C4 C3 H8 126.712 O5 C4 H9 116.047

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