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Geometry for CH2CHCH3 (Propene) 1A' CS

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

PBEPBE/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1449 -0.4957 0.0000   -1.2361 -0.1686 0.0000
C2 0.0000 0.4739 0.0000   0.1278 0.4563 0.0000
C3 1.3020 0.1399 0.0000   1.2915 -0.2164 0.0000
H4 1.6232 -0.9149 0.0000   1.3163 -1.3188 0.0000
H5 2.0928 0.9048 0.0000   2.2593 0.3069 0.0000
H6 -0.2716 1.5456 0.0000   0.1553 1.5615 0.0000
H7 -0.7937 -1.5470 0.0000   -1.1815 -1.2756 0.0000
H8 -1.7967 -0.3484 0.8884   -1.8241 0.1491 0.8884
H9 -1.7967 -0.3484 -0.8884   -1.8241 0.1491 -0.8884
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5003 2.5280 2.7996 3.5276 2.2203 1.1083 1.1117 1.1117
C2 1.5003 1.3441 2.1362 2.1367 1.1056 2.1711 2.1664 2.1664
C3 2.5280 1.3441 1.1026 1.1002 2.1100 2.6903 3.2603 3.2603
H4 2.7996 2.1362 1.1026 1.8794 3.1055 2.4982 3.5785 3.5785
H5 3.5276 2.1367 1.1002 1.8794 2.4497 3.7873 4.1819 4.1819
H6 2.2203 1.1056 2.1100 3.1055 2.4497 3.1363 2.5889 2.5889
H7 1.1083 2.1711 2.6903 2.4982 3.7873 3.1363 1.7977 1.7977
H8 1.1117 2.1664 3.2603 3.5785 4.1819 2.5889 1.7977 1.7768
H9 1.1117 2.1664 3.2603 3.5785 4.1819 2.5889 1.7977 1.7768
Maximum atom distance is 4.1819Å 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 125.354
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.042 C2 C1 H7 111.791
C2 C1 H8 111.211 C2 C1 H9 111.211
C2 C3 H4 121.321 C2 C3 H5 121.570
C3 C2 H6 118.605 H4 C3 H5 117.110
H7 C1 H8 108.146 H7 C1 H9 108.146
H8 C1 H9 106.098

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