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Geometry for CH2CHCH3 (Propene) 1A' CS

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

mPW1PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1359 -0.4991 0.0000   -1.2295 -0.1666 0.0000
C2 0.0000 0.4740 0.0000   0.1307 0.4556 0.0000
C3 1.2894 0.1448 0.0000   1.2793 -0.2162 0.0000
H4 1.6113 -0.8935 0.0000   1.3026 -1.3030 0.0000
H5 2.0708 0.8980 0.0000   2.2381 0.2924 0.0000
H6 -0.2730 1.5289 0.0000   0.1590 1.5449 0.0000
H7 -0.7776 -1.5322 0.0000   -1.1698 -1.2585 0.0000
H8 -1.7761 -0.3599 0.8792   -1.8065 0.1437 0.8792
H9 -1.7761 -0.3599 -0.8792   -1.8065 0.1437 -0.8792
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4957 2.5093 2.7754 3.4978 2.2039 1.0935 1.0964 1.0964
C2 1.4957 1.3307 2.1134 2.1138 1.0896 2.1516 2.1501 2.1501
C3 2.5093 1.3307 1.0871 1.0853 2.0873 2.6617 3.2287 3.2287
H4 2.7754 2.1134 1.0871 1.8494 3.0690 2.4729 3.5401 3.5401
H5 3.4978 2.1138 1.0853 1.8494 2.4273 3.7442 4.1417 4.1417
H6 2.2039 1.0896 2.0873 3.0690 2.4273 3.1024 2.5689 2.5689
H7 1.0935 2.1516 2.6617 2.4729 3.7442 3.1024 1.7732 1.7732
H8 1.0964 2.1501 3.2287 3.5401 4.1417 2.5689 1.7732 1.7584
H9 1.0964 2.1501 3.2287 3.5401 4.1417 2.5689 1.7732 1.7584
Maximum atom distance is 4.1417Å 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 125.093
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.073 C2 C1 H7 111.458
C2 C1 H8 111.147 C2 C1 H9 111.147
C2 C3 H4 121.550 C2 C3 H5 121.735
C3 C2 H6 118.834 H4 C3 H5 116.715
H7 C1 H8 108.137 H7 C1 H9 108.137
H8 C1 H9 106.620

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