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Geometry for CH2CHCH3 (Propene) 1A' CS

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

HF/daug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1281 -0.5159 0.0000   -1.2296 -0.1641 0.0000
C2 0.0000 0.4713 0.0000   0.1376 0.4508 0.0000
C3 1.2795 0.1637 0.0000   1.2715 -0.2169 0.0000
H4 1.6153 -0.8578 0.0000   1.2945 -1.2920 0.0000
H5 2.0377 0.9239 0.0000   2.2187 0.2888 0.0000
H6 -0.2823 1.5112 0.0000   0.1711 1.5278 0.0000
H7 -0.7621 -1.5344 0.0000   -1.1768 -1.2451 0.0000
H8 -1.7582 -0.3790 0.8727   -1.7923 0.1508 0.8727
H9 -1.7582 -0.3790 -0.8727   -1.7923 0.1508 -0.8727
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4991 2.5017 2.7647 3.4779 2.1964 1.0823 1.0851 1.0851
C2 1.4991 1.3159 2.0918 2.0874 1.0775 2.1456 2.1392 2.1392
C3 2.5017 1.3159 1.0754 1.0737 2.0627 2.6555 3.2068 3.2068
H4 2.7647 2.0918 1.0754 1.8312 3.0353 2.4718 3.5173 3.5173
H5 3.4779 2.0874 1.0737 1.8312 2.3932 3.7259 4.1071 4.1071
H6 2.1964 1.0775 2.0627 3.0353 2.3932 3.0831 2.5520 2.5520
H7 1.0823 2.1456 2.6555 2.4718 3.7259 3.0831 1.7576 1.7576
H8 1.0851 2.1392 3.2068 3.5173 4.1071 2.5520 1.7576 1.7454
H9 1.0851 2.1392 3.2068 3.5173 4.1071 2.5520 1.7576 1.7454
Maximum atom distance is 4.1071Å 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 125.294
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.998 C2 C1 H7 111.420
C2 C1 H8 110.726 C2 C1 H9 110.726
C2 C3 H4 121.716 C2 C3 H5 121.409
C3 C2 H6 118.708 H4 C3 H5 116.875
H7 C1 H8 108.370 H7 C1 H9 108.370
H8 C1 H9 107.081

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