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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

PBEPBE/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9427 -0.2068 0.0000   0.3621 -0.8946 0.0000
C2 0.0000 0.9581 0.0000   0.7905 0.5414 0.0000
C3 1.3310 0.8402 0.0000   -0.0590 1.5729 0.0000
F4 -0.2695 -1.4133 0.0000   -1.0137 -1.0209 0.0000
H5 1.9851 1.7142 0.0000   0.2925 2.6065 0.0000
H6 1.8031 -0.1447 0.0000   -1.1383 1.4059 0.0000
H7 -0.4855 1.9416 0.0000   1.8762 0.6966 0.0000
H8 -1.6038 -0.1702 0.8910   0.7658 -1.4194 0.8910
H9 -1.6038 -0.1702 -0.8910   0.7658 -1.4194 -0.8910
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4986 2.5032 1.3816 3.5017 2.7465 2.1965 1.1101 1.1101
C2 1.4986 1.3362 2.3867 2.1242 2.1136 1.0968 2.1539 2.1539
C3 2.5032 1.3362 2.7640 1.0917 1.0921 2.1244 3.2293 3.2293
F4 1.3816 2.3867 2.7640 3.8554 2.4300 3.3618 2.0297 2.0297
H5 3.5017 2.1242 1.0917 3.8554 1.8678 2.4811 4.1504 4.1504
H6 2.7465 2.1136 1.0921 2.4300 1.8678 3.0968 3.5216 3.5216
H7 2.1965 1.0968 2.1244 3.3618 2.4811 3.0968 2.5504 2.5504
H8 1.1101 2.1539 3.2293 2.0297 4.1504 3.5216 2.5504 1.7820
H9 1.1101 2.1539 3.2293 2.0297 4.1504 3.5216 2.5504 1.7820
Maximum atom distance is 4.1504Å 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 123.914 C2 C1 F4 111.859
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.747 C2 C1 H8 110.429
C2 C1 H9 110.429 C2 C3 H5 121.744
C2 C3 H6 120.676 C3 C2 H7 121.339
F4 C1 H8 108.600 F4 C1 H9 108.600
H5 C3 H6 117.580

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