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Geometry for CH2CHCH3 (Propene) 1A' CS

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

CID/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.1353 -0.5031 0.0000   -1.2306 -0.1665 0.0000
C2 0.0000 0.4769 0.0000   0.1330 0.4580 0.0000
C3 1.2866 0.1473 0.0000   1.2766 -0.2175 0.0000
H4 1.6098 -0.8871 0.0000   1.2984 -1.3010 0.0000
H5 2.0662 0.8976 0.0000   2.2346 0.2856 0.0000
H6 -0.2751 1.5278 0.0000   0.1620 1.5439 0.0000
H7 -0.7679 -1.5300 0.0000   -1.1642 -1.2550 0.0000
H8 -1.7703 -0.3674 0.8788   -1.8026 0.1410 0.8788
H9 -1.7703 -0.3674 -0.8788   -1.8026 0.1410 -0.8788
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9
C1 1.4998 2.5077 2.7718 3.4946 2.2056 1.0906 1.0927 1.0927
C2 1.4998 1.3281 2.1100 2.1086 1.0863 2.1488 2.1493 2.1493
C3 2.5077 1.3281 1.0837 1.0821 2.0844 2.6521 3.2221 3.2221
H4 2.7718 2.1100 1.0837 1.8422 3.0635 2.4631 3.5310 3.5310
H5 3.4946 2.1086 1.0821 1.8422 2.4247 3.7317 4.1342 4.1342
H6 2.2056 1.0863 2.0844 3.0635 2.4247 3.0972 2.5690 2.5690
H7 1.0906 2.1488 2.6521 2.4631 3.7317 3.0972 1.7688 1.7688
H8 1.0927 2.1493 3.2221 3.5310 4.1342 2.5690 1.7688 1.7575
H9 1.0927 2.1493 3.2221 3.5310 4.1342 2.5690 1.7688 1.7575
Maximum atom distance is 4.1342Å 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 124.826
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H6 116.131 C2 C1 H7 111.115
C2 C1 H8 111.026 C2 C1 H9 111.026
C2 C3 H4 121.726 C2 C3 H5 121.729
C3 C2 H6 119.043 H4 C3 H5 116.545
H7 C1 H8 108.224 H7 C1 H9 108.224
H8 C1 H9 107.073

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