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Geometry for C3H5Cl (1-Propene, 3-chloro-) 1A C1

1910171554
InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2 INChIKey=OSDWBNJEKMUWAV-UHFFFAOYSA-N

mPW1PW91/6-311G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.2204 -0.1823 -0.3105   -2.2270 -0.1656 -0.2697
C2 1.1280 -0.1473 0.4412   -1.1263 -0.0693 0.4642
C3 -0.0346 0.7323 0.1535   0.0523 0.7441 0.0675
Cl4 -1.5391 -0.2335 -0.1188   1.5323 -0.2811 -0.1031
H5 2.3150 0.4231 -1.2060   -2.3177 0.3344 -1.2285
H6 3.0607 -0.8169 -0.0565   -3.0784 -0.7471 0.0626
H7 1.0481 -0.7703 1.3271   -1.0507 -0.5876 1.4155
H8 -0.2628 1.3886 0.9926   0.3037 1.4875 0.8232
H9 0.1213 1.3280 -0.7435   -0.0999 1.2358 -0.8911
Atom - Atom Distances (Å)
  C1 C2 C3 Cl4 H5 H6 H7 H8 H9
C1 1.3264 2.4772 3.7647 1.0851 1.0833 2.0980 3.2143 2.6219
C2 1.3264 1.4860 2.7266 2.1089 2.1051 1.0860 2.1441 2.1432
C3 2.4772 1.4860 1.8084 2.7321 3.4677 2.1925 1.0895 1.0880
Cl4 3.7647 2.7266 1.8084 4.0580 4.6371 3.0120 2.3442 2.3634
H5 1.0851 2.1089 2.7321 4.0580 1.8480 3.0734 3.5229 2.4176
H6 1.0833 2.1051 3.4677 4.6371 1.8480 2.4428 4.1244 3.7031
H7 2.0980 1.0860 2.1925 3.0120 3.0734 2.4428 2.5478 3.0902
H8 3.2143 2.1441 1.0895 2.3442 3.5229 4.1244 2.5478 1.7791
H9 2.6219 2.1432 1.0880 2.3634 2.4176 3.7031 3.0902 1.7791
Maximum atom distance is 4.6371Å between atoms Cl4 and H6.
picture of 1-Propene, 3-chloro-
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 123.382 C2 C3 Cl4 111.343
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 120.515 C2 C1 H5 121.652
C2 C1 H6 121.431 C2 C3 H8 111.798
C2 C3 H9 111.816 C3 C2 H7 116.099
Cl4 C3 H8 105.273 Cl4 C3 H9 106.709
H5 C1 H6 116.917 H8 C3 H9 109.580

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