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Geometry for CH2CHCH3 (Propene) 1A' CS

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

HSEh1PBE/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1335 -0.4991 0.0000   -1.2273 -0.1659 0.0000
C2 0.0000 0.4724 0.0000   0.1307 0.4539 0.0000
C3 1.2871 0.1461 0.0000   1.2772 -0.2158 0.0000
H4 1.6112 -0.8920 0.0000   1.3014 -1.3030 0.0000
H5 2.0666 0.9013 0.0000   2.2354 0.2942 0.0000
H6 -0.2723 1.5279 0.0000   0.1612 1.5436 0.0000
H7 -0.7782 -1.5325 0.0000   -1.1718 -1.2573 0.0000
H8 -1.7744 -0.3605 0.8777   -1.8048 0.1446 0.8777
H9 -1.7744 -0.3605 -0.8777   -1.8048 0.1446 -0.8777
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4928 2.5051 2.7726 3.4931 2.2024 1.0928 1.0956 1.0956
C2 1.4928 1.3278 2.1113 2.1107 1.0901 2.1506 2.1477 2.1477
C3 2.5051 1.3278 1.0875 1.0854 2.0835 2.6613 3.2248 3.2248
H4 2.7726 2.1113 1.0875 1.8502 3.0665 2.4737 3.5376 3.5376
H5 3.4931 2.1107 1.0854 1.8502 2.4214 3.7438 4.1371 4.1371
H6 2.2024 1.0901 2.0835 3.0665 2.4214 3.1019 2.5676 2.5676
H7 1.0928 2.1506 2.6613 2.4737 3.7438 3.1019 1.7710 1.7710
H8 1.0956 2.1477 3.2248 3.5376 4.1371 2.5676 1.7710 1.7554
H9 1.0956 2.1477 3.2248 3.5376 4.1371 2.5676 1.7710 1.7554
Maximum atom distance is 4.1371Å 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 125.175
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.134 C2 C1 H7 111.622
C2 C1 H8 111.212 C2 C1 H9 111.212
C2 C3 H4 121.565 C2 C3 H5 121.683
C3 C2 H6 118.691 H4 C3 H5 116.752
H7 C1 H8 108.051 H7 C1 H9 108.051
H8 C1 H9 106.476

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