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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

B1B95/daug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9370 -0.2049 0.0000   0.3634 -0.8877 0.0000
C2 0.0000 0.9475 0.0000   0.7799 0.5380 0.0000
C3 1.3166 0.8439 0.0000   -0.0529 1.5630 0.0000
F4 -0.2648 -1.4081 0.0000   -1.0087 -1.0175 0.0000
H5 1.9437 1.7220 0.0000   0.3139 2.5777 0.0000
H6 1.7990 -0.1216 0.0000   -1.1216 1.4118 0.0000
H7 -0.4785 1.9196 0.0000   1.8518 0.6961 0.0000
H8 -1.5791 -0.1833 0.8831   0.7457 -1.4039 0.8831
H9 -1.5791 -0.1833 -0.8831   0.7457 -1.4039 -0.8831
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4852 2.4857 1.3782 3.4658 2.7373 2.1734 1.0921 1.0921
C2 1.4852 1.3207 2.3703 2.0923 2.0927 1.0835 2.1336 2.1336
C3 2.4857 1.3207 2.7518 1.0790 1.0794 2.0927 3.1969 3.1969
F4 1.3782 2.3703 2.7518 3.8308 2.4319 3.3345 2.0018 2.0018
H5 3.4658 2.0923 1.0790 3.8308 1.8493 2.4302 4.1012 4.1012
H6 2.7373 2.0927 1.0794 2.4319 1.8493 3.0583 3.4922 3.4922
H7 2.1734 1.0835 2.0927 3.3345 2.4302 3.0583 2.5325 2.5325
H8 1.0921 2.1336 3.1969 2.0018 4.1012 3.4922 2.5325 1.7663
H9 1.0921 2.1336 3.1969 2.0018 4.1012 3.4922 2.5325 1.7663
Maximum atom distance is 4.1012Å 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 124.622 C2 C1 F4 111.691
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.677 C2 C1 H8 110.830
C2 C1 H9 110.830 C2 C3 H5 121.037
C2 C3 H6 121.041 C3 C2 H7 120.701
F4 C1 H8 107.698 F4 C1 H9 107.698
H5 C3 H6 117.921

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