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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**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1395 -0.4989 0.0000   1.2342 0.1547 0.0000
C2 0.0000 0.4802 0.0000   -0.1364 -0.4604 0.0000
C3 1.2911 0.1402 0.0000   -1.2778 0.2322 0.0000
H4 1.6038 -0.8965 0.0000   -1.2832 1.3150 0.0000
H5 2.0742 0.8855 0.0000   -2.2403 -0.2600 0.0000
H6 -0.2685 1.5320 0.0000   -0.1776 -1.5452 0.0000
H7 -0.7728 -1.5250 0.0000   1.1741 1.2428 0.0000
H8 -1.7732 -0.3627 0.8784   1.8032 -0.1557 0.8784
H9 -1.7732 -0.3627 -0.8784   1.8032 -0.1557 -0.8784
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5023 2.5132 2.7719 3.4992 2.2098 1.0897 1.0917 1.0917
C2 1.5023 1.3351 2.1136 2.1134 1.0855 2.1490 2.1509 2.1509
C3 2.5132 1.3351 1.0828 1.0811 2.0904 2.6520 3.2272 3.2272
H4 2.7719 2.1136 1.0828 1.8430 3.0665 2.4583 3.5300 3.5300
H5 3.4992 2.1134 1.0811 1.8430 2.4303 3.7305 4.1392 4.1392
H6 2.2098 1.0855 2.0904 3.0665 2.4303 3.0984 2.5741 2.5741
H7 1.0897 2.1490 2.6520 2.4583 3.7305 3.0984 1.7673 1.7673
H8 1.0917 2.1509 3.2272 3.5300 4.1392 2.5741 1.7673 1.7568
H9 1.0917 2.1509 3.2272 3.5300 4.1392 2.5741 1.7673 1.7568
Maximum atom distance is 4.1392Å 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 124.577
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.347 C2 C1 H7 111.007
C2 C1 H8 111.042 C2 C1 H9 111.042
C2 C3 H4 121.536 C2 C3 H5 121.664
C3 C2 H6 119.076 H4 C3 H5 116.800
H7 C1 H8 108.226 H7 C1 H9 108.226
H8 C1 H9 107.152

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