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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/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 -0.9711 0.0000   -0.7959 -0.5563 0.0000
C2 -0.9610 0.1782 0.0000   0.6966 -0.6856 0.0000
C3 -0.5346 1.4339 0.0000   1.4815 0.3833 0.0000
F4 1.3327 -0.4977 0.0000   -1.1714 0.8072 0.0000
H5 -1.2150 2.2773 0.0000   2.5626 0.3087 0.0000
H6 0.5303 1.6371 0.0000   1.0380 1.3725 0.0000
H7 -2.0163 -0.0825 0.0000   1.0875 -1.6999 0.0000
H8 -0.1602 -1.5993 0.8873   -1.2191 -1.0475 0.8873
H9 -0.1602 -1.5993 -0.8873   -1.2191 -1.0475 -0.8873
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4981 2.4637 1.4143 3.4681 2.6615 2.2034 1.0989 1.0989
C2 1.4981 1.3261 2.3912 2.1144 2.0862 1.0870 2.1420 2.1420
C3 2.4637 1.3261 2.6866 1.0836 1.0841 2.1201 3.1824 3.1824
F4 1.4143 2.3912 2.6866 3.7672 2.2806 3.3746 2.0566 2.0566
H5 3.4681 2.1144 1.0836 3.7672 1.8590 2.4921 4.1143 4.1143
H6 2.6615 2.0862 1.0841 2.2806 1.8590 3.0728 3.4261 3.4261
H7 2.2034 1.0870 2.1201 3.3746 2.4921 3.0728 2.5560 2.5560
H8 1.0989 2.1420 3.1824 2.0566 4.1143 3.4261 2.5560 1.7747
H9 1.0989 2.1420 3.1824 2.0566 4.1143 3.4261 2.5560 1.7747
Maximum atom distance is 4.1143Å 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 121.343 C2 C1 F4 110.347
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 116.028 C2 C1 H8 110.185
C2 C1 H9 110.185 C2 C3 H5 122.346
C2 C3 H6 119.558 C3 C2 H7 122.629
F4 C1 H8 109.189 F4 C1 H9 109.189
H5 C3 H6 118.096

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