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Geometry for CH2CHCH2F (Allyl Fluoride) 1A' CS cis

1910171554
InChI=1S/C3H5F/c1-2-3-4/h2H,1,3H2 INChIKey=QCMKXHXKNIOBBC-UHFFFAOYSA-N

PBE1PBE/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9411 -0.2055 0.0000   -0.7097 -0.6514 0.0000
C2 0.0000 0.9530 0.0000   0.7794 -0.5485 0.0000
C3 1.3236 0.8356 0.0000   1.4451 0.6015 0.0000
F4 -0.2670 -1.4057 0.0000   -1.3032 0.5907 0.0000
H5 1.9705 1.7074 0.0000   2.5304 0.6289 0.0000
H6 1.7972 -0.1411 0.0000   0.9189 1.5510 0.0000
H7 -0.4760 1.9336 0.0000   1.3073 -1.5020 0.0000
H8 -1.5919 -0.1738 0.8861   -1.0583 -1.2018 0.8861
H9 -1.5919 -0.1738 -0.8861   -1.0583 -1.2018 -0.8861
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4926 2.4926 1.3766 3.4838 2.7391 2.1890 1.0998 1.0998
C2 1.4926 1.3288 2.3738 2.1100 2.1041 1.0900 2.1422 2.1422
C3 2.4926 1.3288 2.7484 1.0856 1.0856 2.1080 3.2100 3.2100
F4 1.3766 2.3738 2.7484 3.8338 2.4207 3.3458 2.0145 2.0145
H5 3.4838 2.1100 1.0856 3.8338 1.8567 2.4569 4.1249 4.1249
H6 2.7391 2.1041 1.0856 2.4207 1.8567 3.0777 3.5032 3.5032
H7 2.1890 1.0900 2.1080 3.3458 2.4569 3.0777 2.5439 2.5439
H8 1.0998 2.1422 3.2100 2.0145 4.1249 3.5032 2.5439 1.7722
H9 1.0998 2.1422 3.2100 2.0145 4.1249 3.5032 2.5439 1.7722
Maximum atom distance is 4.1249Å between atoms H5 and H8.
picture of Allyl Fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 124.023 C2 C1 F4 111.586
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.017 C2 C1 H8 110.534
C2 C1 H9 110.534 C2 C3 H5 121.511
C2 C3 H6 120.936 C3 C2 H7 120.959
F4 C1 H8 108.351 F4 C1 H9 108.351
H5 C3 H6 117.553

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