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Geometry for CH2CHCH3 (Propene) 1A' CS

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

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


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1367 -0.5042 0.0000   -1.2322 -0.1671 0.0000
C2 0.0000 0.4790 0.0000   0.1336 0.4600 0.0000
C3 1.2891 0.1468 0.0000   1.2789 -0.2186 0.0000
H4 1.6075 -0.8899 0.0000   1.2955 -1.3029 0.0000
H5 2.0694 0.8974 0.0000   2.2376 0.2846 0.0000
H6 -0.2748 1.5306 0.0000   0.1630 1.5465 0.0000
H7 -0.7693 -1.5320 0.0000   -1.1661 -1.2566 0.0000
H8 -1.7734 -0.3680 0.8787   -1.8057 0.1413 0.8787
H9 -1.7734 -0.3680 -0.8787   -1.8057 0.1413 -0.8787
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5029 2.5116 2.7712 3.4991 2.2098 1.0915 1.0937 1.0937
C2 1.5029 1.3312 2.1114 2.1113 1.0869 2.1532 2.1528 2.1528
C3 2.5116 1.3312 1.0845 1.0827 2.0882 2.6562 3.2274 3.2274
H4 2.7712 2.1114 1.0845 1.8460 3.0662 2.4620 3.5320 3.5320
H5 3.4991 2.1113 1.0827 1.8460 2.4282 3.7364 4.1401 4.1401
H6 2.2098 1.0869 2.0882 3.0662 2.4282 3.1023 2.5734 2.5734
H7 1.0915 2.1532 2.6562 2.4620 3.7364 3.1023 1.7707 1.7707
H8 1.0937 2.1528 3.2274 3.5320 4.1401 2.5734 1.7707 1.7574
H9 1.0937 2.1528 3.2274 3.5320 4.1401 2.5734 1.7707 1.7574
Maximum atom distance is 4.1401Å 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 124.692
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.212 C2 C1 H7 111.189
C2 C1 H8 111.031 C2 C1 H9 111.031
C2 C3 H4 121.525 C2 C3 H5 121.661
C3 C2 H6 119.096 H4 C3 H5 116.814
H7 C1 H8 108.253 H7 C1 H9 108.253
H8 C1 H9 106.924

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