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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)=FULL/6-311+G(3df,2pd)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1388 -0.4951 0.0000   1.2302 0.1695 0.0000
C2 0.0000 0.4787 0.0000   -0.1292 -0.4609 0.0000
C3 1.2911 0.1361 0.0000   -1.2800 0.2173 0.0000
H4 1.5975 -0.9040 0.0000   -1.2944 1.3016 0.0000
H5 2.0737 0.8839 0.0000   -2.2353 -0.2916 0.0000
H6 -0.2613 1.5336 0.0000   -0.1621 -1.5472 0.0000
H7 -0.7776 -1.5242 0.0000   1.1600 1.2579 0.0000
H8 -1.7731 -0.3535 0.8783   1.8027 -0.1380 0.8783
H9 -1.7731 -0.3535 -0.8783   1.8027 -0.1380 -0.8783
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4984 2.5106 2.7668 3.4960 2.2103 1.0906 1.0926 1.0926
C2 1.4984 1.3358 2.1128 2.1129 1.0868 2.1485 2.1466 2.1466
C3 2.5106 1.3358 1.0843 1.0824 2.0888 2.6526 3.2250 3.2250
H4 2.7668 2.1128 1.0843 1.8502 3.0655 2.4548 3.5264 3.5264
H5 3.4960 2.1129 1.0824 1.8502 2.4237 3.7321 4.1353 4.1353
H6 2.2103 1.0868 2.0888 3.0655 2.4237 3.1010 2.5725 2.5725
H7 1.0906 2.1485 2.6526 2.4548 3.7321 3.1010 1.7700 1.7700
H8 1.0926 2.1466 3.2250 3.5264 4.1353 2.5725 1.7700 1.7565
H9 1.0926 2.1466 3.2250 3.5264 4.1353 2.5725 1.7700 1.7565
Maximum atom distance is 4.1353Å 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 124.609
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.619 C2 C1 H7 111.191
C2 C1 H8 110.916 C2 C1 H9 110.916
C2 C3 H4 121.272 C2 C3 H5 121.444
C3 C2 H6 118.772 H4 C3 H5 117.284
H7 C1 H8 108.335 H7 C1 H9 108.335
H8 C1 H9 106.999

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