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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

B2PLYP/6-31+G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.6035 0.4319 0.3363   -0.5861 0.5217 0.2195
C2 0.6473 -0.3788 0.2616   0.6489 -0.3076 0.3395
C3 1.7990 0.0933 -0.2269   1.7925 -0.0148 -0.2886
F4 -1.6426 -0.2265 -0.3611   -1.6562 -0.2782 -0.2439
H5 2.6982 -0.5096 -0.2421   2.6812 -0.6198 -0.1599
H6 1.8754 1.1005 -0.6225   1.8727 0.8431 -0.9477
H7 0.5842 -1.3925 0.6458   0.5816 -1.1752 0.9890
H8 -0.9544 0.5474 1.3645   -0.9037 0.9231 1.1848
H9 -0.4763 1.4145 -0.1215   -0.4574 1.3377 -0.4938
Atom - Atom Distances (Å)
  C1 C2 C3 F4 H5 H6 H7 H8 H9
C1 1.4924 2.4907 1.4141 3.4817 2.7407 2.1989 1.0926 1.0915
C2 1.4924 1.3372 2.3779 2.1160 2.1163 1.0859 2.1540 2.1506
C3 2.4907 1.3372 3.4590 1.0828 1.0848 2.1083 3.2125 2.6331
F4 1.4141 2.3779 3.4590 4.3517 3.7690 2.7078 2.0126 2.0275
H5 3.4817 2.1160 1.0828 4.3517 1.8478 2.4570 4.1280 3.7141
H6 2.7407 2.1163 1.0848 3.7690 1.8478 3.0808 3.5017 2.4249
H7 2.1989 1.0859 2.1083 2.7078 2.4570 3.0808 2.5782 3.0972
H8 1.0926 2.1540 3.2125 2.0126 4.1280 3.5017 2.5782 1.7857
H9 1.0915 2.1506 2.6331 2.0275 3.7141 2.4249 3.0972 1.7857
Maximum atom distance is 4.3517Å 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 123.252 C2 C1 F4 109.769
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 116.151 C2 C1 H8 111.942
C2 C1 H9 111.738 C2 C3 H5 121.589
C2 C3 H6 121.451 C3 C2 H7 120.591
F4 C1 H8 106.106 F4 C1 H9 107.336
H5 C3 H6 116.960

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