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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/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1466 -0.4958 0.0000   -1.2377 -0.1687 0.0000
C2 0.0000 0.4759 0.0000   0.1282 0.4584 0.0000
C3 1.3020 0.1386 0.0000   1.2912 -0.2171 0.0000
H4 1.6204 -0.9104 0.0000   1.3155 -1.3131 0.0000
H5 2.0909 0.8966 0.0000   2.2551 0.3005 0.0000
H6 -0.2683 1.5419 0.0000   0.1568 1.5571 0.0000
H7 -0.7921 -1.5395 0.0000   -1.1774 -1.2694 0.0000
H8 -1.7917 -0.3506 0.8854   -1.8200 0.1448 0.8854
H9 -1.7917 -0.3506 -0.8854   -1.8200 0.1448 -0.8854
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5030 2.5294 2.7979 3.5242 2.2189 1.1023 1.1051 1.1051
C2 1.5030 1.3450 2.1325 2.1328 1.0991 2.1655 2.1627 2.1627
C3 2.5294 1.3450 1.0963 1.0941 2.1059 2.6835 3.2549 3.2549
H4 2.7979 2.1325 1.0963 1.8672 3.0952 2.4932 3.5693 3.5693
H5 3.5242 2.1328 1.0941 1.8672 2.4459 3.7745 4.1731 4.1731
H6 2.2189 1.0991 2.1059 3.0952 2.4459 3.1256 2.5858 2.5858
H7 1.1023 2.1655 2.6835 2.4932 3.7745 3.1256 1.7879 1.7879
H8 1.1051 2.1627 3.2549 3.5693 4.1731 2.5858 1.7879 1.7708
H9 1.1051 2.1627 3.2549 3.5693 4.1731 2.5858 1.7879 1.7708
Maximum atom distance is 4.1731Å 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 125.193
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.155 C2 C1 H7 111.524
C2 C1 H8 111.128 C2 C1 H9 111.128
C2 C3 H4 121.412 C2 C3 H5 121.623
C3 C2 H6 118.652 H4 C3 H5 116.966
H7 C1 H8 108.187 H7 C1 H9 108.187
H8 C1 H9 106.487

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