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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

MP2/daug-cc-pVDZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6079 0.4177 0.3595   -0.5898 0.5255 0.2220
C2 0.6483 -0.3915 0.2649   0.6505 -0.3018 0.3598
C3 1.7998 0.1056 -0.2343   1.7927 -0.0188 -0.3017
F4 -1.6406 -0.2137 -0.3810   -1.6550 -0.2844 -0.2502
H5 2.7111 -0.4944 -0.2692   2.6934 -0.6204 -0.1658
H6 1.8537 1.1297 -0.6144   1.8497 0.8281 -0.9914
H7 0.6024 -1.4203 0.6357   0.6013 -1.1563 1.0419
H8 -0.9720 0.4915 1.3958   -0.9194 0.9359 1.1889
H9 -0.4702 1.4256 -0.0598   -0.4506 1.3425 -0.5017
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4972 2.4994 1.4190 3.4990 2.7413 2.2180 1.1009 1.1002
C2 1.4972 1.3499 2.3849 2.1334 2.1308 1.0945 2.1642 2.1583
C3 2.4994 1.3499 3.4583 1.0917 1.0937 2.1258 3.2387 2.6316
F4 1.4190 2.3849 3.4583 4.3622 3.7509 2.7424 2.0251 2.0397
H5 3.4990 2.1334 1.0917 4.3622 1.8687 2.4744 4.1605 3.7217
H6 2.7413 2.1308 1.0937 3.7509 1.8687 3.1034 3.5261 2.4074
H7 2.2180 1.0945 2.1258 2.7424 2.4744 3.1034 2.5906 3.1198
H8 1.1009 2.1642 3.2387 2.0251 4.1605 3.5261 2.5906 1.8008
H9 1.1002 2.1583 2.6316 2.0397 3.7217 2.4074 3.1198 1.8008
Maximum atom distance is 4.3622Å 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 122.685 C2 C1 F4 109.702
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 116.837 C2 C1 H8 111.913
C2 C1 H9 111.469 C2 C3 H5 121.437
C2 C3 H6 121.024 C3 C2 H7 120.473
F4 C1 H8 106.278 F4 C1 H9 107.447
H5 C3 H6 117.538

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