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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

B3LYP/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.9191 0.0000   -0.1266 -0.9103 0.0000
C2 -1.2425 0.4342 0.0000   1.1708 -0.6013 0.0000
C3 -1.6736 -1.0008 0.0000   1.7955 0.7607 0.0000
Cl4 1.4530 -0.0684 0.0000   -1.4297 0.2679 0.0000
H5 0.2278 1.9779 0.0000   -0.4981 -1.9277 0.0000
H6 -2.0304 1.1872 0.0000   1.8475 -1.4556 0.0000
H7 -0.8211 -1.6827 0.0000   1.0451 1.5536 0.0000
H8 -2.2904 -1.2171 0.8809   2.4363 0.8899 0.8809
H9 -2.2904 -1.2171 -0.8809   2.4363 0.8899 -0.8809
Atom - Atom Distances (Å)
  C1 C2 C3 Cl4 H5 H6 H7 H8 H9
C1 1.3338 2.5470 1.7568 1.0831 2.0480 2.7283 3.2535 3.2535
C2 1.3338 1.4984 2.7420 2.1318 1.0898 2.1585 2.1450 2.1450
C3 2.5470 1.4984 3.2627 3.5339 2.2169 1.0917 1.0969 1.0969
Cl4 1.7568 2.7420 3.2627 2.3851 3.7028 2.7888 4.0136 4.0136
H5 1.0831 2.1318 3.5339 2.3851 2.3926 3.8079 4.1624 4.1624
H6 2.0480 1.0898 2.2169 3.7028 2.3926 3.1143 2.5737 2.5737
H7 2.7283 2.1585 1.0917 2.7888 3.8079 3.1143 1.7754 1.7754
H8 3.2535 2.1450 1.0969 4.0136 4.1624 2.5737 1.7754 1.7618
H9 3.2535 2.1450 1.0969 4.0136 4.1624 2.5737 1.7754 1.7618
Maximum atom distance is 4.1624Å 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 128.038 C2 C1 Cl4 124.482
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 114.981 C2 C1 H5 123.457
C2 C3 H7 111.933 C2 C3 H8 110.523
C2 C3 H9 110.523 C3 C2 H6 116.981
Cl4 C1 H5 112.060 H7 C3 H8 108.422
H7 C3 H9 108.422 H8 C3 H9 106.850

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