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Geometry for CH2CHCH3 (Propene) 1A' CS

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

QCISD/cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1487 -0.4981 0.0000   1.2405 0.1697 0.0000
C2 0.0000 0.4822 0.0000   -0.1301 -0.4643 0.0000
C3 1.3024 0.1365 0.0000   -1.2909 0.2201 0.0000
H4 1.6142 -0.9165 0.0000   -1.3069 1.3181 0.0000
H5 2.0950 0.8938 0.0000   -2.2585 -0.2952 0.0000
H6 -0.2660 1.5501 0.0000   -0.1622 -1.5644 0.0000
H7 -0.7836 -1.5405 0.0000   1.1703 1.2719 0.0000
H8 -1.7908 -0.3550 0.8896   1.8202 -0.1415 0.8896
H9 -1.7908 -0.3550 -0.8896   1.8202 -0.1415 -0.8896
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5101 2.5319 2.7944 3.5298 2.2303 1.1045 1.1064 1.1064
C2 1.5101 1.3475 2.1358 2.1351 1.1006 2.1691 2.1678 2.1678
C3 2.5319 1.3475 1.0982 1.0963 2.1114 2.6765 3.2559 3.2559
H4 2.7944 2.1358 1.0982 1.8731 3.1015 2.4776 3.5638 3.5638
H5 3.5298 2.1351 1.0963 1.8731 2.4506 3.7699 4.1774 4.1774
H6 2.2303 1.1006 2.1114 3.1015 2.4506 3.1336 2.5972 2.5972
H7 1.1045 2.1691 2.6765 2.4776 3.7699 3.1336 1.7920 1.7920
H8 1.1064 2.1678 3.2559 3.5638 4.1774 2.5972 1.7920 1.7792
H9 1.1064 2.1678 3.2559 3.5638 4.1774 2.5972 1.7920 1.7792
Maximum atom distance is 4.1774Å 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 124.657
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.490 C2 C1 H7 111.174
C2 C1 H8 110.943 C2 C1 H9 110.943
C2 C3 H4 121.359 C2 C3 H5 121.442
C3 C2 H6 118.852 H4 C3 H5 117.199
H7 C1 H8 108.299 H7 C1 H9 108.299
H8 C1 H9 107.031

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