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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

B3PW91/6-311G*


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 2.2217 -0.1977 -0.3080   -2.2232 0.1687 -0.3142
C2 1.1318 -0.1261 0.4489   -1.1224 0.2366 0.4271
C3 -0.0324 0.7415 0.1322   0.0237 -0.6983 0.2832
Cl4 -1.5421 -0.2398 -0.1120   1.5435 0.1839 -0.1790
H5 2.3158 0.3668 -1.2323   -2.3405 -0.5738 -1.0995
H6 3.0641 -0.8234 -0.0312   -3.0517 0.8531 -0.1629
H7 1.0587 -0.7108 1.3635   -1.0260 0.9973 1.1990
H8 -0.2670 1.4250 0.9493   0.2613 -1.2011 1.2216
H9 0.1187 1.3120 -0.7834   -0.1506 -1.4439 -0.4917
Atom - Atom Distances (Å)
  C1 C2 C3 Cl4 H5 H6 H7 H8 H9
C1 1.3288 2.4813 3.7691 1.0871 1.0853 2.0999 3.2261 2.6320
C2 1.3288 1.4861 2.7345 2.1145 2.1096 1.0880 2.1478 2.1478
C3 2.4813 1.4861 1.8171 2.7416 3.4733 2.1945 1.0908 1.0893
Cl4 3.7691 2.7345 1.8171 4.0628 4.6437 3.0271 2.3503 2.3701
H5 1.0871 2.1145 2.7416 4.0628 1.8491 3.0789 3.5426 2.4335
H6 1.0853 2.1096 3.4733 4.6437 1.8491 2.4453 4.1367 3.7149
H7 2.0999 1.0880 2.1945 3.0271 3.0789 2.4453 2.5477 3.0959
H8 3.2261 2.1478 1.0908 2.3503 3.5426 4.1367 2.5477 1.7788
H9 2.6320 2.1478 1.0893 2.3701 2.4335 3.7149 3.0959 1.7788
Maximum atom distance is 4.6437Å 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 123.548 C2 C3 Cl4 111.360
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 120.329 C2 C1 H5 121.824
C2 C1 H6 121.494 C2 C3 H8 112.004
C2 C3 H9 112.094 C3 C2 H7 116.119
Cl4 C3 H8 105.093 Cl4 C3 H9 106.567
H5 C1 H6 116.682 H8 C3 H9 109.352

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