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Geometry for CH2CHCH3 (Propene) 1A' CS

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

wB97X-D/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1336 -0.5051 0.0000   1.2322 0.1475 0.0000
C2 0.0000 0.4744 0.0000   -0.1402 -0.4532 0.0000
C3 1.2864 0.1503 0.0000   -1.2734 0.2366 0.0000
H4 1.6087 -0.8873 0.0000   -1.2746 1.3231 0.0000
H5 2.0621 0.9079 0.0000   -2.2383 -0.2579 0.0000
H6 -0.2761 1.5274 0.0000   -0.1876 -1.5407 0.0000
H7 -0.7701 -1.5353 0.0000   1.1894 1.2391 0.0000
H8 -1.7707 -0.3653 0.8793   1.7995 -0.1743 0.8793
H9 -1.7707 -0.3653 -0.8793   1.7995 -0.1743 -0.8793
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4981 2.5072 2.7688 3.4942 2.2059 1.0925 1.0948 1.0948
C2 1.4981 1.3266 2.1076 2.1072 1.0886 2.1521 2.1479 2.1479
C3 2.5072 1.3266 1.0865 1.0843 2.0827 2.6590 3.2225 3.2225
H4 2.7688 2.1076 1.0865 1.8516 3.0632 2.4654 3.5307 3.5307
H5 3.4942 2.1072 1.0843 1.8516 2.4189 3.7404 4.1334 4.1334
H6 2.2059 1.0886 2.0827 3.0632 2.4189 3.1022 2.5669 2.5669
H7 1.0925 2.1521 2.6590 2.4654 3.7404 3.1022 1.7729 1.7729
H8 1.0948 2.1479 3.2225 3.5307 4.1334 2.5669 1.7729 1.7585
H9 1.0948 2.1479 3.2225 3.5307 4.1334 2.5669 1.7729 1.7585
Maximum atom distance is 4.1334Å 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 125.034
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.134 C2 C1 H7 111.389
C2 C1 H8 110.908 C2 C1 H9 110.908
C2 C3 H4 121.395 C2 C3 H5 121.540
C3 C2 H6 118.831 H4 C3 H5 117.064
H7 C1 H8 108.303 H7 C1 H9 108.303
H8 C1 H9 106.866

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