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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

mPW1PW91/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9422 -0.2054 0.0000   -0.7069 -0.6559 0.0000
C2 0.0000 0.9494 0.0000   0.7791 -0.5425 0.0000
C3 1.3282 0.8561 0.0000   1.4615 0.6008 0.0000
F4 -0.2700 -1.4214 0.0000   -1.3208 0.5906 0.0000
H5 1.9522 1.7478 0.0000   2.5499 0.6035 0.0000
H6 1.8263 -0.1118 0.0000   0.9518 1.5626 0.0000
H7 -0.4875 1.9279 0.0000   1.3036 -1.5016 0.0000
H8 -1.5885 -0.1860 0.8910   -1.0603 -1.1974 0.8910
H9 -1.5885 -0.1860 -0.8910   -1.0603 -1.1974 -0.8910
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4904 2.5063 1.3894 3.4918 2.7700 2.1812 1.1009 1.1009
C2 1.4904 1.3315 2.3861 2.1092 2.1122 1.0932 2.1462 2.1462
C3 2.5063 1.3315 2.7823 1.0883 1.0885 2.1084 3.2229 3.2229
F4 1.3894 2.3861 2.7823 3.8706 2.4717 3.3563 2.0146 2.0146
H5 3.4918 2.1092 1.0883 3.8706 1.8638 2.4463 4.1316 4.1316
H6 2.7700 2.1122 1.0885 2.4717 1.8638 3.0844 3.5299 3.5299
H7 2.1812 1.0932 2.1084 3.3563 2.4463 3.0844 2.5445 2.5445
H8 1.1009 2.1462 3.2229 2.0146 4.1316 3.5299 2.5445 1.7819
H9 1.1009 2.1462 3.2229 2.0146 4.1316 3.5299 2.5445 1.7819
Maximum atom distance is 4.1316Å 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 125.196 C2 C1 F4 111.855
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.307 C2 C1 H8 110.944
C2 C1 H9 110.944 C2 C3 H5 120.970
C2 C3 H6 121.244 C3 C2 H7 120.497
F4 C1 H8 107.428 F4 C1 H9 107.428
H5 C3 H6 117.786

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