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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

M06-2X/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 -0.9773 0.0000   -0.7171 -0.6640 0.0000
C2 -0.9570 0.2285 0.0000   0.8179 -0.5469 0.0000
C3 -0.5295 1.4810 0.0000   1.4464 0.6178 0.0000
F4 1.3383 -0.5774 0.0000   -1.3330 0.5896 0.0000
H5 -1.2127 2.3320 0.0000   2.5350 0.6947 0.0000
H6 0.5400 1.7042 0.0000   0.8835 1.5542 0.0000
H7 -2.0235 -0.0185 0.0000   1.3613 -1.4972 0.0000
H8 -0.2146 -1.6071 0.8928   -1.0333 -1.2494 0.8928
H9 -0.2146 -1.6071 -0.8928   -1.0333 -1.2494 -0.8928
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.5395 2.5147 1.3967 3.5245 2.7354 2.2392 1.1135 1.1135
C2 1.5395 1.3234 2.4327 2.1189 2.1021 1.0947 2.1721 2.1721
C3 2.5147 1.3234 2.7795 1.0913 1.0926 2.1167 3.2299 3.2299
F4 1.3967 2.4327 2.7795 3.8694 2.4173 3.4079 2.0661 2.0661
H5 3.5245 2.1189 1.0913 3.8694 1.8618 2.4864 4.1605 4.1605
H6 2.7354 2.1021 1.0926 2.4173 1.8618 3.0886 3.5116 3.5116
H7 2.2392 1.0947 2.1167 3.4079 2.4864 3.0886 2.5677 2.5677
H8 1.1135 2.1721 3.2299 2.0661 4.1605 3.5116 2.5677 1.7857
H9 1.1135 2.1721 3.2299 2.0661 4.1605 3.5116 2.5677 1.7857
Maximum atom distance is 4.1605Å 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 122.717 C2 C1 F4 111.801
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.396 C2 C1 H8 108.858
C2 C1 H9 108.858 C2 C3 H5 122.394
C2 C3 H6 120.638 C3 C2 H7 121.888
F4 C1 H8 110.277 F4 C1 H9 110.277
H5 C3 H6 116.969

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