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Geometry for CH2CHCH3 (Propene) 1A' CS

1910171554
InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3 INChIKey=QQONPFPTGQHPMA-UHFFFAOYSA-N

MP3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1396 -0.4992 0.0000   -1.2327 -0.1678 0.0000
C2 0.0000 0.4800 0.0000   0.1316 0.4617 0.0000
C3 1.2909 0.1408 0.0000   1.2801 -0.2184 0.0000
H4 1.6072 -0.8994 0.0000   1.2992 -1.3054 0.0000
H5 2.0778 0.8884 0.0000   2.2417 0.2849 0.0000
H6 -0.2709 1.5356 0.0000   0.1603 1.5511 0.0000
H7 -0.7704 -1.5291 0.0000   -1.1600 -1.2595 0.0000
H8 -1.7761 -0.3626 0.8816   -1.8074 0.1380 0.8816
H9 -1.7761 -0.3626 -0.8816   -1.8074 0.1380 -0.8816
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5025 2.5133 2.7758 3.5038 2.2125 1.0941 1.0959 1.0959
C2 1.5025 1.3348 2.1180 2.1176 1.0898 2.1518 2.1545 2.1545
C3 2.5133 1.3348 1.0872 1.0854 2.0940 2.6529 3.2307 3.2307
H4 2.7758 2.1180 1.0872 1.8487 3.0752 2.4596 3.5373 3.5373
H5 3.5038 2.1176 1.0854 1.8487 2.4363 3.7359 4.1467 4.1467
H6 2.2125 1.0898 2.0940 3.0752 2.4363 3.1052 2.5780 2.5780
H7 1.0941 2.1518 2.6529 2.4596 3.7359 3.1052 1.7747 1.7747
H8 1.0959 2.1545 3.2307 3.5373 4.1467 2.5780 1.7747 1.7632
H9 1.0959 2.1545 3.2307 3.5373 4.1467 2.5780 1.7747 1.7632
Maximum atom distance is 4.1467Å between atoms H5 and H8.
picture of Propene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 124.602
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.281 C2 C1 H7 110.956
C2 C1 H8 111.054 C2 C1 H9 111.054
C2 C3 H4 121.637 C2 C3 H5 121.743
C3 C2 H6 119.116 H4 C3 H5 116.620
H7 C1 H8 108.260 H7 C1 H9 108.260
H8 C1 H9 107.112

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