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Geometry for C3H5 (Allyl radical) 2A2 C2V

1910171554
InChI=1S/C3H5/c1-3-2/h3H,1-2H2 INChIKey=RMRFFCXPLWYOOY-UHFFFAOYSA-N

B1B95/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.4423   0.4423 0.0000 0.0000
H2 0.0000 0.0000 1.5360   1.5360 0.0000 0.0000
C3 0.0000 1.2256 -0.1960   -0.1960 0.0000 1.2256
C4 0.0000 -1.2256 -0.1960   -0.1960 0.0000 -1.2256
H5 0.0000 2.1581 0.3658   0.3658 0.0000 2.1581
H6 0.0000 -2.1581 0.3658   0.3658 0.0000 -2.1581
H7 0.0000 1.2902 -1.2850   -1.2850 0.0000 1.2902
H8 0.0000 -1.2902 -1.2850   -1.2850 0.0000 -1.2902
Atom - Atom Distances (Å)
  C1 H2 C3 C4 H5 H6 H7 H8
C1 1.0937 1.3818 1.3818 2.1595 2.1595 2.1560 2.1560
H2 1.0937 2.1217 2.1217 2.4550 2.4550 3.1021 3.1021
C3 1.3818 2.1217 2.4511 1.0887 3.4300 1.0909 2.7414
C4 1.3818 2.1217 2.4511 3.4300 1.0887 2.7414 1.0909
H5 2.1595 2.4550 1.0887 3.4300 4.3162 1.8650 3.8231
H6 2.1595 2.4550 3.4300 1.0887 4.3162 3.8231 1.8650
H7 2.1560 3.1021 1.0909 2.7414 1.8650 3.8231 2.5805
H8 2.1560 3.1021 2.7414 1.0909 3.8231 1.8650 2.5805
Maximum atom distance is 4.3162Å between atoms H5 and H6.
picture of Allyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C3 C1 C4 124.980
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 121.426 C1 C3 H7 120.908
C1 C4 H6 121.426 C1 C4 H8 120.908
H2 C1 C3 117.510 H2 C1 C4 117.510
H5 C3 H7 117.666 H6 C4 H8 117.666

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