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Geometry for CH2CHCH3 (Propene) 1A' CS

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

CCSD(T)/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1406 -0.4965 0.0000   -1.2325 -0.1683 0.0000
C2 0.0000 0.4811 0.0000   0.1305 0.4630 0.0000
C3 1.2928 0.1362 0.0000   1.2812 -0.2197 0.0000
H4 1.5954 -0.9056 0.0000   1.2898 -1.3045 0.0000
H5 2.0767 0.8832 0.0000   2.2384 0.2865 0.0000
H6 -0.2611 1.5360 0.0000   0.1655 1.5492 0.0000
H7 -0.7740 -1.5246 0.0000   -1.1587 -1.2574 0.0000
H8 -1.7751 -0.3568 0.8794   -1.8053 0.1382 0.8794
H9 -1.7751 -0.3568 -0.8794   -1.8053 0.1382 -0.8794
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5022 2.5143 2.7664 3.5006 2.2146 1.0916 1.0934 1.0934
C2 1.5022 1.3380 2.1138 2.1153 1.0868 2.1498 2.1509 2.1509
C3 2.5143 1.3380 1.0848 1.0828 2.0914 2.6514 3.2293 3.2293
H4 2.7664 2.1138 1.0848 1.8524 3.0672 2.4489 3.5263 3.5263
H5 3.5006 2.1153 1.0828 1.8524 2.4272 3.7315 4.1409 4.1409
H6 2.2146 1.0868 2.0914 3.0672 2.4272 3.1033 2.5785 2.5785
H7 1.0916 2.1498 2.6514 2.4489 3.7315 3.1033 1.7718 1.7718
H8 1.0934 2.1509 3.2293 3.5263 4.1409 2.5785 1.7718 1.7588
H9 1.0934 2.1509 3.2293 3.5263 4.1409 2.5785 1.7718 1.7588
Maximum atom distance is 4.1409Å 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 124.467
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.697 C2 C1 H7 110.974
C2 C1 H8 110.949 C2 C1 H9 110.949
C2 C3 H4 121.131 C2 C3 H5 121.446
C3 C2 H6 118.837 H4 C3 H5 117.424
H7 C1 H8 108.372 H7 C1 H9 108.372
H8 C1 H9 107.087

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