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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

B3PW91/3-21G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 -0.9720 0.0000   -0.7997 -0.5525 0.0000
C2 -0.9609 0.1808 0.0000   0.6950 -0.6878 0.0000
C3 -0.5380 1.4395 0.0000   1.4902 0.3757 0.0000
F4 1.3371 -0.5042 0.0000   -1.1749 0.8134 0.0000
H5 -1.2227 2.2805 0.0000   2.5713 0.2905 0.0000
H6 0.5261 1.6493 0.0000   1.0578 1.3704 0.0000
H7 -2.0168 -0.0813 0.0000   1.0795 -1.7054 0.0000
H8 -0.1633 -1.6004 0.8879   -1.2239 -1.0441 0.8879
H9 -0.1633 -1.6004 -0.8879   -1.2239 -1.0441 -0.8879
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.5008 2.4708 1.4165 3.4747 2.6735 2.2047 1.0999 1.0999
C2 1.5008 1.3279 2.3979 2.1160 2.0899 1.0879 2.1442 2.1442
C3 2.4708 1.3279 2.7007 1.0845 1.0846 2.1213 3.1891 3.1891
F4 1.4165 2.3979 2.7007 3.7825 2.3011 3.3804 2.0593 2.0593
H5 3.4747 2.1160 1.0845 3.7825 1.8592 2.4918 4.1198 4.1198
H6 2.6735 2.0899 1.0846 2.3011 1.8592 3.0759 3.4386 3.4386
H7 2.2047 1.0879 2.1213 3.3804 2.4918 3.0759 2.5557 2.5557
H8 1.0999 2.1442 3.1891 2.0593 4.1198 3.4386 2.5557 1.7757
H9 1.0999 2.1442 3.1891 2.0593 4.1198 3.4386 2.5557 1.7757
Maximum atom distance is 4.1198Å 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 121.613 C2 C1 F4 110.532
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 115.871 C2 C1 H8 110.111
C2 C1 H9 110.111 C2 C3 H5 122.277
C2 C3 H6 119.723 C3 C2 H7 122.516
F4 C1 H8 109.194 F4 C1 H9 109.194
H5 C3 H6 118.001

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