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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

MP2/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9436 -0.2018 0.0000   -0.7083 -0.6554 0.0000
C2 0.0000 0.9530 0.0000   0.7792 -0.5487 0.0000
C3 1.3263 0.8340 0.0000   1.4455 0.6042 0.0000
F4 -0.2686 -1.4071 0.0000   -1.3052 0.5905 0.0000
H5 1.9603 1.7073 0.0000   2.5246 0.6197 0.0000
H6 1.7934 -0.1390 0.0000   0.9189 1.5463 0.0000
H7 -0.4649 1.9319 0.0000   1.3119 -1.4924 0.0000
H8 -1.5834 -0.1737 0.8837   -1.0536 -1.1946 0.8837
H9 -1.5834 -0.1737 -0.8837   -1.0536 -1.1946 -0.8837
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4913 2.4951 1.3815 3.4752 2.7377 2.1867 1.0913 1.0913
C2 1.4913 1.3316 2.3754 2.1004 2.0997 1.0837 2.1348 2.1348
C3 2.4951 1.3316 2.7507 1.0792 1.0793 2.1009 3.2035 3.2035
F4 1.3815 2.3754 2.7507 3.8299 2.4208 3.3448 2.0077 2.0077
H5 3.4752 2.1004 1.0792 3.8299 1.8539 2.4355 4.1081 4.1081
H6 2.7377 2.0997 1.0793 2.4208 1.8539 3.0641 3.4906 3.4906
H7 2.1867 1.0837 2.1009 3.3448 2.4355 3.0641 2.5427 2.5427
H8 1.0913 2.1348 3.2035 2.0077 4.1081 3.4906 2.5427 1.7674
H9 1.0913 2.1348 3.2035 2.0077 4.1081 3.4906 2.5427 1.7674
Maximum atom distance is 4.1081Å 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 124.126 C2 C1 F4 111.497
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.341 C2 C1 H8 110.547
C2 C1 H9 110.547 C2 C3 H5 120.849
C2 C3 H6 120.773 C3 C2 H7 120.532
F4 C1 H8 107.992 F4 C1 H9 107.992
H5 C3 H6 118.378

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