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Geometry for CH2CHCH3 (Propene) 1A' CS

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

MP4/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1516 -0.4944 0.0000   -1.2416 -0.1704 0.0000
C2 0.0000 0.4835 0.0000   0.1286 0.4661 0.0000
C3 1.3055 0.1314 0.0000   1.2934 -0.2204 0.0000
H4 1.6114 -0.9243 0.0000   1.3076 -1.3196 0.0000
H5 2.1020 0.8861 0.0000   2.2619 0.2952 0.0000
H6 -0.2615 1.5538 0.0000   0.1611 1.5674 0.0000
H7 -0.7869 -1.5381 0.0000   -1.1675 -1.2735 0.0000
H8 -1.7941 -0.3502 0.8903   -1.8226 0.1395 0.8903
H9 -1.7941 -0.3502 -0.8903   -1.8226 0.1395 -0.8903
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5108 2.5356 2.7962 3.5344 2.2333 1.1055 1.1073 1.1073
C2 1.5108 1.3521 2.1398 2.1402 1.1018 2.1693 2.1694 2.1694
C3 2.5356 1.3521 1.0992 1.0972 2.1163 2.6768 3.2606 3.2606
H4 2.7962 2.1398 1.0992 1.8757 3.1063 2.4755 3.5664 3.5664
H5 3.5344 2.1402 1.0972 1.8757 2.4560 3.7712 4.1833 4.1833
H6 2.2333 1.1018 2.1163 3.1063 2.4560 3.1362 2.6013 2.6013
H7 1.1055 2.1693 2.6768 2.4755 3.7712 3.1362 1.7939 1.7939
H8 1.1073 2.1694 3.2606 3.5664 4.1833 2.6013 1.7939 1.7805
H9 1.1073 2.1694 3.2606 3.5664 4.1833 2.6013 1.7939 1.7805
Maximum atom distance is 4.1833Å 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 124.571
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.610 C2 C1 H7 111.072
C2 C1 H8 110.975 C2 C1 H9 110.975
C2 C3 H4 121.250 C2 C3 H5 121.454
C3 C2 H6 118.819 H4 C3 H5 117.295
H7 C1 H8 108.324 H7 C1 H9 108.324
H8 C1 H9 107.025

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