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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

HSEh1PBE/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9361 -0.2075 0.0000   -0.7046 -0.6503 0.0000
C2 0.0000 0.9475 0.0000   0.7781 -0.5407 0.0000
C3 1.3192 0.8490 0.0000   1.4499 0.5989 0.0000
F4 -0.2671 -1.4120 0.0000   -1.3120 0.5863 0.0000
H5 1.9458 1.7311 0.0000   2.5319 0.6102 0.0000
H6 1.8067 -0.1174 0.0000   0.9345 1.5507 0.0000
H7 -0.4826 1.9212 0.0000   1.3024 -1.4926 0.0000
H8 -1.5820 -0.1804 0.8850   -1.0509 -1.1963 0.8850
H9 -1.5820 -0.1804 -0.8850   -1.0509 -1.1963 -0.8850
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4868 2.4905 1.3777 3.4733 2.7442 2.1765 1.0960 1.0960
C2 1.4868 1.3228 2.3746 2.0977 2.0972 1.0868 2.1350 2.1350
C3 2.4905 1.3228 2.7619 1.0820 1.0824 2.0967 3.2031 3.2031
F4 1.3777 2.3746 2.7619 3.8439 2.4447 3.3402 2.0072 2.0072
H5 3.4733 2.0977 1.0820 3.8439 1.8537 2.4359 4.1089 4.1089
H6 2.7442 2.0972 1.0824 2.4447 1.8537 3.0654 3.5029 3.5029
H7 2.1765 1.0868 2.0967 3.3402 2.4359 3.0654 2.5316 2.5316
H8 1.0960 2.1350 3.2031 2.0072 4.1089 3.5029 2.5316 1.7699
H9 1.0960 2.1350 3.2031 2.0072 4.1089 3.5029 2.5316 1.7699
Maximum atom distance is 4.1089Å 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 124.751 C2 C1 F4 111.928
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.612 C2 C1 H8 110.601
C2 C1 H9 110.601 C2 C3 H5 121.120
C2 C3 H6 121.040 C3 C2 H7 120.637
F4 C1 H8 107.928 F4 C1 H9 107.928
H5 C3 H6 117.840

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