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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=FULL/cc-pVQZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1317 -0.4979 0.0000   1.2251 0.1667 0.0000
C2 0.0000 0.4756 0.0000   -0.1311 -0.4572 0.0000
C3 1.2833 0.1421 0.0000   -1.2727 0.2172 0.0000
H4 1.5928 -0.8920 0.0000   -1.2852 1.2965 0.0000
H5 2.0587 0.8901 0.0000   -2.2243 -0.2882 0.0000
H6 -0.2653 1.5240 0.0000   -0.1651 -1.5380 0.0000
H7 -0.7674 -1.5210 0.0000   1.1570 1.2505 0.0000
H8 -1.7640 -0.3598 0.8745   1.7948 -0.1404 0.8745
H9 -1.7640 -0.3598 -0.8745   1.7948 -0.1404 -0.8745
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4929 2.4984 2.7529 3.4793 2.1997 1.0860 1.0880 1.0880
C2 1.4929 1.3259 2.0994 2.1000 1.0814 2.1390 2.1388 2.1388
C3 2.4984 1.3259 1.0794 1.0774 2.0755 2.6403 3.2098 3.2098
H4 2.7529 2.0994 1.0794 1.8420 3.0478 2.4426 3.5094 3.5094
H5 3.4793 2.1000 1.0774 1.8420 2.4088 3.7149 4.1158 4.1158
H6 2.1997 1.0814 2.0755 3.0478 2.4088 3.0861 2.5612 2.5612
H7 1.0860 2.1390 2.6403 2.4426 3.7149 3.0861 1.7625 1.7625
H8 1.0880 2.1388 3.2098 3.5094 4.1158 2.5612 1.7625 1.7491
H9 1.0880 2.1388 3.2098 3.5094 4.1158 2.5612 1.7625 1.7491
Maximum atom distance is 4.1158Å 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 124.726
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.504 C2 C1 H7 111.103
C2 C1 H8 110.963 C2 C1 H9 110.963
C2 C3 H4 121.234 C2 C3 H5 121.457
C3 C2 H6 118.769 H4 C3 H5 117.310
H7 C1 H8 108.335 H7 C1 H9 108.335
H8 C1 H9 106.995

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