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Geometry for CH2CHCH3 (Propene) 1A' CS

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

CCSD/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1410 -0.4976 0.0000   -1.2333 -0.1682 0.0000
C2 0.0000 0.4805 0.0000   0.1308 0.4623 0.0000
C3 1.2929 0.1385 0.0000   1.2817 -0.2187 0.0000
H4 1.6040 -0.8992 0.0000   1.2987 -1.3019 0.0000
H5 2.0770 0.8833 0.0000   2.2390 0.2845 0.0000
H6 -0.2671 1.5330 0.0000   0.1603 1.5478 0.0000
H7 -0.7756 -1.5248 0.0000   -1.1614 -1.2560 0.0000
H8 -1.7749 -0.3603 0.8788   -1.8059 0.1365 0.8788
H9 -1.7749 -0.3603 -0.8788   -1.8059 0.1365 -0.8788
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5028 2.5156 2.7742 3.5018 2.2106 1.0902 1.0922 1.0922
C2 1.5028 1.3374 2.1157 2.1157 1.0859 2.1500 2.1516 2.1516
C3 2.5156 1.3374 1.0833 1.0815 2.0925 2.6542 3.2299 3.2299
H4 2.7742 2.1157 1.0833 1.8441 3.0687 2.4605 3.5326 3.5326
H5 3.5018 2.1157 1.0815 1.8441 2.4326 3.7331 4.1419 4.1419
H6 2.2106 1.0859 2.0925 3.0687 2.4326 3.0998 2.5749 2.5749
H7 1.0902 2.1500 2.6542 2.4605 3.7331 3.0998 1.7683 1.7683
H8 1.0922 2.1516 3.2299 3.5326 4.1419 2.5749 1.7683 1.7576
H9 1.0922 2.1516 3.2299 3.5326 4.1419 2.5749 1.7683 1.7576
Maximum atom distance is 4.1419Å 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 124.580
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.362 C2 C1 H7 111.022
C2 C1 H8 111.027 C2 C1 H9 111.027
C2 C3 H4 121.509 C2 C3 H5 121.658
C3 C2 H6 119.058 H4 C3 H5 116.833
H7 C1 H8 108.237 H7 C1 H9 108.237
H8 C1 H9 107.142

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