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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

PBE1PBE/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9556 -0.1806 0.0000   -0.6906 -0.6848 0.0000
C2 0.0000 0.9643 0.0000   0.7944 -0.5467 0.0000
C3 1.3259 0.8311 0.0000   1.4363 0.6212 0.0000
F4 -0.2588 -1.4278 0.0000   -1.3229 0.5962 0.0000
H5 1.9837 1.6932 0.0000   2.5194 0.6743 0.0000
H6 1.7871 -0.1505 0.0000   0.8891 1.5575 0.0000
H7 -0.4679 1.9479 0.0000   1.3394 -1.4898 0.0000
H8 -1.5978 -0.1645 0.8891   -1.0413 -1.2230 0.8891
H9 -1.5978 -0.1645 -0.8891   -1.0413 -1.2230 -0.8891
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4913 2.4958 1.4286 3.4858 2.7429 2.1837 1.0968 1.0968
C2 1.4913 1.3326 2.4060 2.1133 2.1063 1.0893 2.1489 2.1489
C3 2.4958 1.3326 2.7593 1.0844 1.0845 2.1131 3.2140 3.2140
F4 1.4286 2.4060 2.7593 3.8430 2.4119 3.3822 2.0443 2.0443
H5 3.4858 2.1133 1.0844 3.8430 1.8541 2.4648 4.1314 4.1314
H6 2.7429 2.1063 1.0845 2.4119 1.8541 3.0803 3.4997 3.4997
H7 2.1837 1.0893 2.1131 3.3822 2.4648 3.0803 2.5553 2.5553
H8 1.0968 2.1489 3.2140 2.0443 4.1314 3.4997 2.5553 1.7781
H9 1.0968 2.1489 3.2140 2.0443 4.1314 3.4997 2.5553 1.7781
Maximum atom distance is 4.1314Å 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 124.112 C2 C1 F4 110.956
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.710 C2 C1 H8 111.338
C2 C1 H9 111.338 C2 C3 H5 121.605
C2 C3 H6 120.903 C3 C2 H7 121.178
F4 C1 H8 107.362 F4 C1 H9 107.362
H5 C3 H6 117.492

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