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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

CCSD/aug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6113 0.4300 0.3372   0.6195 -0.3307 0.4233
C2 0.6491 -0.3877 0.2559   -0.6375 0.4530 0.1595
C3 1.8115 0.0986 -0.2237   -1.8187 -0.1277 -0.1323
F4 -1.6503 -0.2232 -0.3617   1.6385 0.0898 -0.4596
H5 2.7207 -0.5097 -0.2428   -2.7239 0.4663 -0.2895
H6 1.8859 1.1228 -0.6067   -1.9128 -1.2163 -0.2173
H7 0.5858 -1.4173 0.6286   -0.5547 1.5442 0.2335
H8 -0.9575 0.5429 1.3790   1.0000 -0.1594 1.4450
H9 -0.4783 1.4249 -0.1190   0.4645 -1.4103 0.2617
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.5046 2.5089 1.4123 3.5103 2.7581 2.2204 1.1036 1.1026
C2 1.5046 1.3482 2.3865 2.1343 2.1343 1.0968 2.1699 2.1672
C3 2.5089 1.3482 3.4794 1.0941 1.0960 2.1276 3.2301 2.6482
F4 1.4123 2.3865 3.4794 4.3820 3.7916 2.7214 2.0241 2.0369
H5 3.5103 2.1343 1.0941 4.3820 1.8693 2.4781 4.1554 3.7405
H6 2.7581 2.1343 1.0960 3.7916 1.8693 3.1094 3.5163 2.4328
H7 2.2204 1.0968 2.1276 2.7214 2.4781 3.1094 2.6052 3.1255
H8 1.1036 2.1699 3.2301 2.0241 4.1554 3.5163 2.6052 1.8033
H9 1.1026 2.1672 2.6482 2.0369 3.7405 2.4328 3.1255 1.8033
Maximum atom distance is 4.3820Å 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 123.059 C2 C1 F4 109.765
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 116.319 C2 C1 H8 111.680
C2 C1 H9 111.524 C2 C3 H5 121.478
C2 C3 H6 121.327 C3 C2 H7 120.613
F4 C1 H8 106.486 F4 C1 H9 107.538
H5 C3 H6 117.195

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