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Geometry for CH2CHCH3 (Propene) 1A' CS

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

B3LYP/SDD


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1525 -0.5010 0.0000   -1.2452 -0.1693 0.0000
C2 0.0000 0.4780 0.0000   0.1298 0.4601 0.0000
C3 1.3074 0.1421 0.0000   1.2969 -0.2181 0.0000
H4 1.6302 -0.8980 0.0000   1.3253 -1.3068 0.0000
H5 2.0900 0.8977 0.0000   2.2552 0.2967 0.0000
H6 -0.2702 1.5369 0.0000   0.1571 1.5525 0.0000
H7 -0.7973 -1.5383 0.0000   -1.1849 -1.2642 0.0000
H8 -1.7912 -0.3566 0.8836   -1.8208 0.1430 0.8836
H9 -1.7912 -0.3566 -0.8836   -1.8208 0.1430 -0.8836
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5122 2.5425 2.8109 3.5313 2.2206 1.0965 1.0998 1.0998
C2 1.5122 1.3499 2.1334 2.1318 1.0927 2.1683 2.1647 2.1647
C3 2.5425 1.3499 1.0891 1.0879 2.1057 2.6932 3.2605 3.2605
H4 2.8109 2.1334 1.0891 1.8537 3.0887 2.5105 3.5750 3.5750
H5 3.5313 2.1318 1.0879 1.8537 2.4452 3.7777 4.1735 4.1735
H6 2.2206 1.0927 2.1057 3.0887 2.4452 3.1200 2.5845 2.5845
H7 1.0965 2.1683 2.6932 2.5105 3.7777 3.1200 1.7791 1.7791
H8 1.0998 2.1647 3.2605 3.5750 4.1735 2.5845 1.7791 1.7672
H9 1.0998 2.1647 3.2605 3.5750 4.1735 2.5845 1.7791 1.7672
Maximum atom distance is 4.1735Å 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 125.241
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.034 C2 C1 H7 111.446
C2 C1 H8 110.956 C2 C1 H9 110.956
C2 C3 H4 121.655 C2 C3 H5 121.593
C3 C2 H6 118.725 H4 C3 H5 116.753
H7 C1 H8 108.201 H7 C1 H9 108.201
H8 C1 H9 106.910

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