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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

BLYP/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9512 -0.2048 0.0000   0.5316 0.8149 0.0000
C2 0.0000 0.9646 0.0000   0.6789 -0.6853 0.0000
C3 1.3359 0.8512 0.0000   -0.3499 -1.5450 0.0000
F4 -0.2673 -1.4299 0.0000   -0.8165 1.2039 0.0000
H5 1.9846 1.7294 0.0000   -0.1927 -2.6253 0.0000
H6 1.8137 -0.1301 0.0000   -1.3800 -1.1841 0.0000
H7 -0.4843 1.9489 0.0000   1.7157 -1.0436 0.0000
H8 -1.6087 -0.1728 0.8919   1.0212 1.2549 0.8919
H9 -1.6087 -0.1728 -0.8919   1.0212 1.2549 -0.8919
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.5074 2.5191 1.4031 3.5156 2.7658 2.2037 1.1085 1.1085
C2 1.5074 1.3407 2.4094 2.1269 2.1184 1.0970 2.1626 2.1626
C3 2.5191 1.3407 2.7882 1.0917 1.0915 2.1256 3.2426 3.2426
F4 1.4031 2.4094 2.7882 3.8797 2.4535 3.3858 2.0433 2.0433
H5 3.5156 2.1269 1.0917 3.8797 1.8673 2.4787 4.1624 4.1624
H6 2.7658 2.1184 1.0915 2.4535 1.8673 3.0989 3.5369 3.5369
H7 2.2037 1.0970 2.1256 3.3858 2.4787 3.0989 2.5615 2.5615
H8 1.1085 2.1626 3.2426 2.0433 4.1624 3.5369 2.5615 1.7839
H9 1.1085 2.1626 3.2426 2.0433 4.1624 3.5369 2.5615 1.7839
Maximum atom distance is 4.1624Å 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 124.274 C2 C1 F4 111.704
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.677 C2 C1 H8 110.601
C2 C1 H9 110.601 C2 C3 H5 121.604
C2 C3 H6 120.809 C3 C2 H7 121.049
F4 C1 H8 108.320 F4 C1 H9 108.320
H5 C3 H6 117.587

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