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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

B2PLYP=FULLultrafine/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9413 -0.2058 0.0000   -0.7060 -0.6557 0.0000
C2 0.0000 0.9502 0.0000   0.7805 -0.5419 0.0000
C3 1.3231 0.8524 0.0000   1.4548 0.6006 0.0000
F4 -0.2673 -1.4171 0.0000   -1.3165 0.5887 0.0000
H5 1.9452 1.7343 0.0000   2.5340 0.6086 0.0000
H6 1.8135 -0.1090 0.0000   0.9448 1.5517 0.0000
H7 -0.4814 1.9216 0.0000   1.3038 -1.4914 0.0000
H8 -1.5811 -0.1867 0.8844   -1.0551 -1.1922 0.8844
H9 -1.5811 -0.1867 -0.8844   -1.0551 -1.1922 -0.8844
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4908 2.4995 1.3861 3.4779 2.7565 2.1766 1.0917 1.0917
C2 1.4908 1.3267 2.3823 2.0973 2.1001 1.0842 2.1388 2.1388
C3 2.4995 1.3267 2.7713 1.0792 1.0792 2.0975 3.2087 3.2087
F4 1.3861 2.3823 2.7713 3.8505 2.4579 3.3456 2.0054 2.0054
H5 3.4779 2.0973 1.0792 3.8505 1.8480 2.4338 4.1118 4.1118
H6 2.7565 2.1001 1.0792 2.4579 1.8480 3.0643 3.5087 3.5087
H7 2.1766 1.0842 2.0975 3.3456 2.4338 3.0643 2.5370 2.5370
H8 1.0917 2.1388 3.2087 2.0054 4.1118 3.5087 2.5370 1.7687
H9 1.0917 2.1388 3.2087 2.0054 4.1118 3.5087 2.5370 1.7687
Maximum atom distance is 4.1118Å 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 124.928 C2 C1 F4 111.755
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.486 C2 C1 H8 110.882
C2 C1 H9 110.882 C2 C3 H5 120.973
C2 C3 H6 121.251 C3 C2 H7 120.585
F4 C1 H8 107.473 F4 C1 H9 107.473
H5 C3 H6 117.777

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