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Geometry for C3H5Cl (1-chloro-1-propene(Z)) 1A' CS

1910171554
InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2- INChIKey=OWXJKYNZGFSVRC-IHWYPQMZSA-N

mPW1PW91/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.9128 0.0000   -0.1023 -0.9070 0.0000
C2 -1.2340 0.4296 0.0000   1.1781 -0.5653 0.0000
C3 -1.6552 -0.9983 0.0000   1.7566 0.8064 0.0000
Cl4 1.4394 -0.0650 0.0000   -1.4231 0.2260 0.0000
H5 0.2265 1.9689 0.0000   -0.4458 -1.9311 0.0000
H6 -2.0212 1.1793 0.0000   1.8762 -1.3984 0.0000
H7 -0.8014 -1.6742 0.0000   0.9840 1.5738 0.0000
H8 -2.2694 -1.2166 0.8784   2.3915 0.9546 0.8784
H9 -2.2694 -1.2166 -0.8784   2.3915 0.9546 -0.8784
Atom - Atom Distances (Å)
  C1 C2 C3 Cl4 H5 H6 H7 H8 H9
C1 1.3253 2.5282 1.7401 1.0801 2.0387 2.7082 3.2336 3.2336
C2 1.3253 1.4887 2.7188 2.1219 1.0870 2.1478 2.1339 2.1339
C3 2.5282 1.4887 3.2322 3.5135 2.2081 1.0889 1.0938 1.0938
Cl4 1.7401 2.7188 3.2322 2.3681 3.6775 2.7587 3.9816 3.9816
H5 1.0801 2.1219 3.5135 2.3681 2.3823 3.7853 4.1411 4.1411
H6 2.0387 1.0870 2.2081 3.6775 2.3823 3.1033 2.5639 2.5639
H7 2.7082 2.1478 1.0889 2.7587 3.7853 3.1033 1.7709 1.7709
H8 3.2336 2.1339 1.0938 3.9816 4.1411 2.5639 1.7709 1.7568
H9 3.2336 2.1339 1.0938 3.9816 4.1411 2.5639 1.7709 1.7568
Maximum atom distance is 4.1411Å between atoms H5 and H8.
picture of 1-chloro-1-propene(Z)
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 127.812 C2 C1 Cl4 124.432
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.015 C2 C1 H5 123.486
C2 C3 H7 111.935 C2 C3 H8 110.506
C2 C3 H9 110.506 C3 C2 H6 117.173
Cl4 C1 H5 112.082 H7 C3 H8 108.443
H7 C3 H9 108.443 H8 C3 H9 106.839

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