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Geometry for (Propene) 1A' CS

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

B2PLYP/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1410 -0.5105 0.0000   -1.2387 -0.1681 0.0000
C2 0.0000 0.4830 0.0000   0.1362 0.4634 0.0000
C3 1.2924 0.1509 0.0000   1.2825 -0.2196 0.0000
H4 1.6123 -0.8860 0.0000   1.2971 -1.3046 0.0000
H5 2.0761 0.8991 0.0000   2.2454 0.2773 0.0000
H6 -0.2845 1.5323 0.0000   0.1591 1.5503 0.0000
H7 -0.7619 -1.5360 0.0000   -1.1641 -1.2589 0.0000
H8 -1.7750 -0.3751 0.8833   -1.8087 0.1406 0.8833
H9 -1.7750 -0.3751 -0.8833   -1.8087 0.1406 -0.8833
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.5130 2.5217 2.7788 3.5124 2.2151 1.0934 1.0956 1.0956
C2 1.5130 1.3344 2.1151 2.1174 1.0871 2.1580 2.1604 2.1604
C3 2.5217 1.3344 1.0851 1.0835 2.0963 2.6582 3.2351 3.2351
H4 2.7788 2.1151 1.0851 1.8444 3.0734 2.4616 3.5376 3.5376
H5 3.5124 2.1174 1.0835 1.8444 2.4440 3.7396 4.1515 4.1515
H6 2.2151 1.0871 2.0963 3.0734 2.4440 3.1052 2.5768 2.5768
H7 1.0934 2.1580 2.6582 2.4616 3.7396 3.1052 1.7760 1.7760
H8 1.0956 2.1604 3.2351 3.5376 4.1515 2.5768 1.7760 1.7666
H9 1.0956 2.1604 3.2351 3.5376 4.1515 2.5768 1.7760 1.7666
Maximum atom distance is 4.1515Å 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 124.543
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 115.877 C2 C1 H7 110.756
C2 C1 H8 110.807 C2 C1 H9 110.807
C2 C3 H4 121.558 C2 C3 H5 121.919
C3 C2 H6 119.580 H4 C3 H5 116.523
H7 C1 H8 108.454 H7 C1 H9 108.454
H8 C1 H9 107.453

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