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Geometry for C3H7 (n-Propyl radical) 2A" C1

1910171554
InChI=1S/C3H7/c1-3-2/h1,3H2,2H3 INChIKey=OCBFFGCSTGGPSQ-UHFFFAOYSA-N

HF/LANL2DZ


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.3123 -0.2948 -0.0320   -1.3089 -0.3108 -0.0174
C2 0.0730 0.5644 0.0565   -0.0794 0.5660 0.0207
C3 -1.2294 -0.2506 -0.0400   1.2322 -0.2389 -0.0204
H4 -2.0980 0.3960 0.0270   2.0934 0.4203 0.0085
H5 -1.2809 -0.7870 -0.9814   1.2931 -0.8327 -0.9261
H6 -1.2909 -0.9782 0.7633   1.2986 -0.9139 0.8272
H7 0.0740 1.1187 0.9953   -0.0899 1.1780 0.9228
H8 0.0938 1.3118 -0.7312   -0.1054 1.2622 -0.8124
H9 2.2566 0.1260 -0.3313   -2.2565 0.0798 -0.3455
H10 1.3102 -1.3013 0.3510   -1.2972 -1.2912 0.4281
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.5106 2.5421 3.4800 2.8050 2.8064 2.1416 2.1341 1.0762 1.0769
C2 1.5106 1.5394 2.1777 2.1763 2.1770 1.0902 1.0861 2.2607 2.2579
C3 2.5421 1.5394 1.0849 1.0847 1.0855 2.1553 2.1609 3.5183 2.7760
H4 3.4800 2.1777 1.0849 1.7561 1.7556 2.4854 2.4935 4.3776 3.8212
H5 2.8050 2.1763 1.0847 1.7561 1.7551 3.0617 2.5213 3.7107 2.9586
H6 2.8064 2.1770 1.0855 1.7556 1.7551 2.5127 3.0651 3.8732 2.6533
H7 2.1416 1.0902 2.1553 2.4854 3.0617 2.5127 1.7373 2.7402 2.7927
H8 2.1341 1.0861 2.1609 2.4935 2.5213 3.0651 1.7373 2.4987 3.0788
H9 1.0762 2.2607 3.5183 4.3776 3.7107 3.8732 2.7402 2.4987 1.8434
H10 1.0769 2.2579 2.7760 3.8212 2.9586 2.6533 2.7927 3.0788 1.8434
Maximum atom distance is 4.3776Å between atoms H4 and H9.
picture of n-Propyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 C3 112.913
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.808 C1 C2 H8 109.463
C2 C1 H9 120.916 C2 C1 H10 120.604
C2 C3 H4 110.974 C2 C3 H5 110.877
C2 C3 H6 110.881 C3 C2 H7 108.900
C3 C2 H8 109.578 H4 C3 H5 108.073
H4 C3 H6 107.966 H5 C3 H6 107.943
H7 C2 H8 105.940 H9 C1 H10 117.777

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