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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

B3PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9422 -0.2068 0.0000   -0.7099 -0.6532 0.0000
C2 0.0000 0.9538 0.0000   0.7813 -0.5471 0.0000
C3 1.3259 0.8435 0.0000   1.4515 0.6023 0.0000
F4 -0.2678 -1.4127 0.0000   -1.3108 0.5909 0.0000
H5 1.9665 1.7205 0.0000   2.5373 0.6240 0.0000
H6 1.8069 -0.1298 0.0000   0.9301 1.5546 0.0000
H7 -0.4792 1.9334 0.0000   1.3088 -1.5015 0.0000
H8 -1.5929 -0.1762 0.8866   -1.0580 -1.2037 0.8866
H9 -1.5929 -0.1762 -0.8866   -1.0580 -1.2037 -0.8866
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4950 2.4996 1.3816 3.4894 2.7502 2.1897 1.1002 1.1002
C2 1.4950 1.3305 2.3816 2.1107 2.1069 1.0905 2.1448 2.1448
C3 2.4996 1.3305 2.7623 1.0861 1.0857 2.1086 3.2164 3.2164
F4 1.3816 2.3816 2.7623 3.8483 2.4393 3.3528 2.0176 2.0176
H5 3.4894 2.1107 1.0861 3.8483 1.8572 2.4550 4.1295 4.1295
H6 2.7502 2.1069 1.0857 2.4393 1.8572 3.0795 3.5138 3.5138
H7 2.1897 1.0905 2.1086 3.3528 2.4550 3.0795 2.5449 2.5449
H8 1.1002 2.1448 3.2164 2.0176 4.1295 3.5138 2.5449 1.7733
H9 1.1002 2.1448 3.2164 2.0176 4.1295 3.5138 2.5449 1.7733
Maximum atom distance is 4.1295Å 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 124.316 C2 C1 F4 111.712
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.860 C2 C1 H8 110.557
C2 C1 H9 110.557 C2 C3 H5 121.392
C2 C3 H6 121.052 C3 C2 H7 120.824
F4 C1 H8 108.238 F4 C1 H9 108.238
H5 C3 H6 117.556

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