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Geometry for CH2CHCH2F (Allyl Fluoride) 1A C1 gauche

1910171554
InChI=1S/C3H5F/c1-2-3-4/h2H,1,3H2 INChIKey=QCMKXHXKNIOBBC-UHFFFAOYSA-N

PBEPBE/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6055 0.4330 0.3388   0.6136 -0.3316 0.4271
C2 0.6491 -0.3765 0.2627   -0.6373 0.4448 0.1675
C3 1.8095 0.0916 -0.2287   -1.8167 -0.1227 -0.1392
F4 -1.6526 -0.2281 -0.3649   1.6409 0.0917 -0.4639
H5 2.7194 -0.5225 -0.2406   -2.7224 0.4784 -0.2935
H6 1.8917 1.1126 -0.6296   -1.9193 -1.2133 -0.2382
H7 0.5844 -1.4044 0.6535   -0.5525 1.5396 0.2554
H8 -0.9611 0.5451 1.3837   1.0033 -0.1553 1.4507
H9 -0.4793 1.4332 -0.1198   0.4652 -1.4177 0.2683
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4950 2.5042 1.4242 3.5077 2.7633 2.2115 1.1094 1.1076
C2 1.4950 1.3443 2.3902 2.1357 2.1349 1.1016 2.1676 2.1667
C3 2.5042 1.3443 3.4794 1.0979 1.0999 2.1253 3.2375 2.6552
F4 1.4242 2.3902 3.4794 4.3837 3.7986 2.7249 2.0330 2.0486
H5 3.5077 2.1357 1.0979 4.3837 1.8735 2.4770 4.1622 3.7511
H6 2.7633 2.1349 1.0999 3.7986 1.8735 3.1129 3.5374 2.4462
H7 2.2115 1.1016 2.1253 2.7249 2.4770 3.1129 2.5927 3.1275
H8 1.1094 2.1676 3.2375 2.0330 4.1622 3.5374 2.5927 1.8114
H9 1.1076 2.1667 2.6552 2.0486 3.7511 2.4462 3.1275 1.8114
Maximum atom distance is 4.3837Å between atoms F4 and H5.
picture of Allyl Fluoride
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 123.674 C2 C1 F4 109.905
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.973 C2 C1 H8 111.814
C2 C1 H9 111.853 C2 C3 H5 121.646
C2 C3 H6 121.397 C3 C2 H7 120.347
F4 C1 H8 106.060 F4 C1 H9 107.363
H5 C3 H6 116.955

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