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Geometry for CH2CHCH3 (Propene) 1A' CS

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

HF/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1298 -0.5173 0.0000   -1.2317 -0.1642 0.0000
C2 0.0000 0.4724 0.0000   0.1382 0.4517 0.0000
C3 1.2812 0.1647 0.0000   1.2733 -0.2173 0.0000
H4 1.6188 -0.8588 0.0000   1.2968 -1.2948 0.0000
H5 2.0418 0.9260 0.0000   2.2233 0.2882 0.0000
H6 -0.2846 1.5141 0.0000   0.1707 1.5311 0.0000
H7 -0.7625 -1.5378 0.0000   -1.1789 -1.2475 0.0000
H8 -1.7609 -0.3809 0.8748   -1.7953 0.1508 0.8748
H9 -1.7609 -0.3809 -0.8748   -1.7953 0.1508 -0.8748
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5020 2.5056 2.7698 3.4846 2.2003 1.0846 1.0873 1.0873
C2 1.5020 1.3176 2.0959 2.0916 1.0799 2.1500 2.1434 2.1434
C3 2.5056 1.3176 1.0778 1.0761 2.0670 2.6599 3.2121 3.2121
H4 2.7698 2.0959 1.0778 1.8342 3.0420 2.4762 3.5237 3.5237
H5 3.4846 2.0916 1.0761 1.8342 2.3996 3.7329 4.1151 4.1151
H6 2.2003 1.0799 2.0670 3.0420 2.3996 3.0891 2.5566 2.5566
H7 1.0846 2.1500 2.6599 2.4762 3.7329 3.0891 1.7608 1.7608
H8 1.0873 2.1434 3.2121 3.5237 4.1151 2.5566 1.7608 1.7495
H9 1.0873 2.1434 3.2121 3.5237 4.1151 2.5566 1.7608 1.7495
Maximum atom distance is 4.1151Å 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 125.278
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.939 C2 C1 H7 111.421
C2 C1 H8 110.730 C2 C1 H9 110.730
C2 C3 H4 121.759 C2 C3 H5 121.471
C3 C2 H6 118.783 H4 C3 H5 116.769
H7 C1 H8 108.339 H7 C1 H9 108.339
H8 C1 H9 107.137

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