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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

PBEPBE/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.9201 0.0000   -0.1308 -0.9107 0.0000
C2 -1.2440 0.4264 0.0000   1.1707 -0.5990 0.0000
C3 -1.6577 -1.0105 0.0000   1.7846 0.7644 0.0000
Cl4 1.4452 -0.0598 0.0000   -1.4220 0.2647 0.0000
H5 0.2288 1.9861 0.0000   -0.5089 -1.9334 0.0000
H6 -2.0437 1.1771 0.0000   1.8555 -1.4558 0.0000
H7 -0.7884 -1.6831 0.0000   1.0197 1.5539 0.0000
H8 -2.2773 -1.2395 0.8847   2.4305 0.9030 0.8847
H9 -2.2773 -1.2395 -0.8847   2.4305 0.9030 -0.8847
Atom - Atom Distances (Å)
  C1 C2 C3 Cl4 H5 H6 H7 H8 H9
C1 1.3384 2.5446 1.7461 1.0903 2.0598 2.7200 3.2608 3.2608
C2 1.3384 1.4952 2.7328 2.1451 1.0969 2.1582 2.1508 2.1508
C3 2.5446 1.4952 3.2453 3.5409 2.2214 1.0992 1.1041 1.1041
Cl4 1.7461 2.7328 3.2453 2.3802 3.7017 2.7611 4.0040 4.0040
H5 1.0903 2.1451 3.5409 2.3802 2.4122 3.8076 4.1794 4.1794
H6 2.0598 1.0969 2.2214 3.7017 2.4122 3.1236 2.5841 2.5841
H7 2.7200 2.1582 1.0992 2.7611 3.8076 3.1236 1.7879 1.7879
H8 3.2608 2.1508 1.1041 4.0040 4.1794 2.5841 1.7879 1.7695
H9 3.2608 2.1508 1.1041 4.0040 4.1794 2.5841 1.7879 1.7695
Maximum atom distance is 4.1794Å 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 127.711 C2 C1 Cl4 124.215
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.163 C2 C1 H5 123.758
C2 C3 H7 111.667 C2 C3 H8 110.772
C2 C3 H9 110.772 C3 C2 H6 117.126
Cl4 C1 H5 112.027 H7 C3 H8 108.473
H7 C3 H9 108.473 H8 C3 H9 106.505

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