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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

HF/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.0000 0.4575   0.0000 0.4575 0.0000
H2 0.0000 0.0000 1.5417   0.0000 1.5417 0.0000
C3 0.0000 1.2409 -0.2018   1.2409 -0.2018 0.0000
C4 0.0000 -1.2409 -0.2018   -1.2409 -0.2018 0.0000
H5 0.0000 2.1712 0.3487   2.1712 0.3487 0.0000
H6 0.0000 -2.1712 0.3487   -2.1712 0.3487 0.0000
H7 0.0000 1.3022 -1.2813   1.3022 -1.2813 0.0000
H8 0.0000 -1.3022 -1.2813   -1.3022 -1.2813 0.0000
Atom - Atom Distances (Å)
  C1 H2 C3 C4 H5 H6 H7 H8
C1 1.0843 1.4052 1.4052 2.1739 2.1739 2.1724 2.1724
H2 1.0843 2.1401 2.1401 2.4773 2.4773 3.1090 3.1090
C3 1.4052 2.1401 2.4818 1.0809 3.4562 1.0813 2.7628
C4 1.4052 2.1401 2.4818 3.4562 1.0809 2.7628 1.0813
H5 2.1739 2.4773 1.0809 3.4562 4.3423 1.8472 3.8369
H6 2.1739 2.4773 3.4562 1.0809 4.3423 3.8369 1.8472
H7 2.1724 3.1090 1.0813 2.7628 1.8472 3.8369 2.6044
H8 2.1724 3.1090 2.7628 1.0813 3.8369 1.8472 2.6044
Maximum atom distance is 4.3423Å 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 124.037
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C3 H5 121.401 C1 C3 H7 121.231
C1 C4 H6 121.401 C1 C4 H8 121.231
H2 C1 C3 117.981 H2 C1 C4 117.981
H5 C3 H7 117.368 H6 C4 H8 117.368

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