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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

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


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9451 -0.2056 0.0000   0.3654 -0.8955 0.0000
C2 0.0000 0.9564 0.0000   0.7885 0.5413 0.0000
C3 1.3244 0.8360 0.0000   -0.0603 1.5650 0.0000
F4 -0.2640 -1.4068 0.0000   -1.0104 -1.0138 0.0000
H5 1.9736 1.7047 0.0000   0.2884 2.5918 0.0000
H6 1.7948 -0.1410 0.0000   -1.1320 1.3998 0.0000
H7 -0.4771 1.9352 0.0000   1.8655 0.7019 0.0000
H8 -1.5953 -0.1793 0.8867   0.7551 -1.4167 0.8867
H9 -1.5953 -0.1793 -0.8867   0.7551 -1.4167 -0.8867
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4978 2.4971 1.3809 3.4882 2.7407 2.1913 1.0998 1.0998
C2 1.4978 1.3298 2.3779 2.1107 2.1037 1.0889 2.1497 2.1497
C3 2.4971 1.3298 2.7483 1.0845 1.0844 2.1103 3.2158 3.2158
F4 1.3809 2.3779 2.7483 3.8325 2.4167 3.3488 2.0163 2.0163
H5 3.4882 2.1107 1.0845 3.8325 1.8543 2.4615 4.1319 4.1319
H6 2.7407 2.1037 1.0844 2.4167 1.8543 3.0777 3.5043 3.5043
H7 2.1913 1.0889 2.1103 3.3488 2.4615 3.0777 2.5510 2.5510
H8 1.0998 2.1497 3.2158 2.0163 4.1319 3.5043 2.5510 1.7734
H9 1.0998 2.1497 3.2158 2.0163 4.1319 3.5043 2.5510 1.7734
Maximum atom distance is 4.1319Å 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 123.931 C2 C1 F4 111.320
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.889 C2 C1 H8 110.764
C2 C1 H9 110.764 C2 C3 H5 121.577
C2 C3 H6 120.903 C3 C2 H7 121.180
F4 C1 H8 108.200 F4 C1 H9 108.200
H5 C3 H6 117.520

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