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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

MP2/6-31G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.9751 -0.1740 0.0000   -0.6959 -0.7049 0.0000
C2 0.0000 0.9776 0.0000   0.8055 -0.5540 0.0000
C3 1.3421 0.8363 0.0000   1.4496 0.6320 0.0000
F4 -0.2586 -1.4465 0.0000   -1.3384 0.6066 0.0000
H5 2.0022 1.7012 0.0000   2.5363 0.6857 0.0000
H6 1.8064 -0.1470 0.0000   0.9025 1.5717 0.0000
H7 -0.4611 1.9684 0.0000   1.3605 -1.4953 0.0000
H8 -1.6111 -0.1719 0.8947   -1.0546 -1.2301 0.8947
H9 -1.6111 -0.1719 -0.8947   -1.0546 -1.2301 -0.8947
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.5090 2.5279 1.4604 3.5186 2.7816 2.2031 1.0977 1.0977
C2 1.5090 1.3495 2.4379 2.1289 2.1279 1.0928 2.1720 2.1720
C3 2.5279 1.3495 2.7881 1.0880 1.0874 2.1291 3.2464 3.2464
F4 1.4604 2.4379 2.7881 3.8754 2.4398 3.4209 2.0626 2.0626
H5 3.5186 2.1289 1.0880 3.8754 1.8585 2.4777 4.1672 4.1672
H6 2.7816 2.1279 1.0874 2.4398 1.8585 3.1010 3.5328 3.5328
H7 2.2031 1.0928 2.1291 3.4209 2.4777 3.1010 2.5892 2.5892
H8 1.0977 2.1720 3.2464 2.0626 4.1672 3.5328 2.5892 1.7894
H9 1.0977 2.1720 3.2464 2.0626 4.1672 3.5328 2.5892 1.7894
Maximum atom distance is 4.1672Å 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 124.245 C2 C1 F4 110.360
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 114.786 C2 C1 H8 111.901
C2 C1 H9 111.901 C2 C3 H5 121.338
C2 C3 H6 121.286 C3 C2 H7 120.969
F4 C1 H8 106.612 F4 C1 H9 106.612
H5 C3 H6 117.376

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