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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

B2PLYP=FULL/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9473 -0.2002 0.0000   -0.7084 -0.6600 0.0000
C2 0.0000 0.9576 0.0000   0.7836 -0.5506 0.0000
C3 1.3256 0.8312 0.0000   1.4422 0.6068 0.0000
F4 -0.2642 -1.4084 0.0000   -1.3043 0.5935 0.0000
H5 1.9737 1.6970 0.0000   2.5232 0.6393 0.0000
H6 1.7885 -0.1460 0.0000   0.9088 1.5472 0.0000
H7 -0.4680 1.9379 0.0000   1.3165 -1.4970 0.0000
H8 -1.5931 -0.1727 0.8845   -1.0572 -1.2042 0.8845
H9 -1.5931 -0.1727 -0.8845   -1.0572 -1.2042 -0.8845
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4959 2.4960 1.3880 3.4830 2.7363 2.1911 1.0955 1.0955
C2 1.4959 1.3316 2.3807 2.1077 2.1015 1.0862 2.1443 2.1443
C3 2.4960 1.3316 2.7465 1.0815 1.0812 2.1075 3.2108 3.2108
F4 1.3880 2.3807 2.7465 3.8278 2.4098 3.3525 2.0187 2.0187
H5 3.4830 2.1077 1.0815 3.8278 1.8522 2.4536 4.1232 4.1232
H6 2.7363 2.1015 1.0812 2.4098 1.8522 3.0714 3.4954 3.4954
H7 2.1911 1.0862 2.1075 3.3525 2.4536 3.0714 2.5500 2.5500
H8 1.0955 2.1443 3.2108 2.0187 4.1232 3.4954 2.5500 1.7690
H9 1.0955 2.1443 3.2108 2.0187 4.1232 3.4954 2.5500 1.7690
Maximum atom distance is 4.1232Å 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 123.840 C2 C1 F4 111.228
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.190 C2 C1 H8 110.725
C2 C1 H9 110.725 C2 C3 H5 121.369
C2 C3 H6 120.795 C3 C2 H7 120.970
F4 C1 H8 108.178 F4 C1 H9 108.178
H5 C3 H6 117.836

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