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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

TPSSh/TZVP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.3015 -0.2933 -0.0327   -1.3000 -0.3013 -0.0203
C2 0.0795 0.5543 0.0566   -0.0824 0.5555 0.0374
C3 -1.2254 -0.2450 -0.0411   1.2267 -0.2396 -0.0345
H4 -2.0960 0.4124 0.0285   2.0937 0.4245 0.0108
H5 -1.2816 -0.7826 -0.9912   1.2844 -0.8096 -0.9655
H6 -1.2925 -0.9812 0.7651   1.2990 -0.9470 0.7967
H7 0.0791 1.1128 1.0087   -0.0838 1.1467 0.9695
H8 0.1054 1.3224 -0.7254   -0.1137 1.2958 -0.7708
H9 2.2534 0.1277 -0.3367   -2.2545 0.1036 -0.3372
H10 1.2986 -1.3073 0.3541   -1.2909 -1.3012 0.4014
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4899 2.5274 3.4706 2.7983 2.7998 2.1344 2.1263 1.0843 1.0853
C2 1.4899 1.5333 2.1802 2.1766 2.1777 1.1038 1.0965 2.2500 2.2450
C3 2.5274 1.5333 1.0931 1.0931 1.0939 2.1558 2.1671 3.5112 2.7668
H4 3.4706 2.1802 1.0931 1.7695 1.7692 2.4864 2.4986 4.3739 3.8192
H5 2.7983 2.1766 1.0931 1.7695 1.7676 3.0730 2.5349 3.7085 2.9567
H6 2.7998 2.1777 1.0939 1.7692 1.7676 2.5151 3.0795 3.8752 2.6437
H7 2.1344 1.1038 2.1558 2.4864 3.0730 2.5151 1.7469 2.7400 2.7879
H8 2.1263 1.0965 2.1671 2.4986 2.5349 3.0795 1.7469 2.4885 3.0829
H9 1.0843 2.2500 3.5112 4.3739 3.7085 3.8752 2.7400 2.4885 1.8568
H10 1.0853 2.2450 2.7668 3.8192 2.9567 2.6437 2.7879 3.0829 1.8568
Maximum atom distance is 4.3739Å 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 113.433
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.861 C1 C2 H8 109.656
C2 C1 H9 121.067 C2 C1 H10 120.526
C2 C3 H4 111.112 C2 C3 H5 110.821
C2 C3 H6 110.863 C3 C2 H7 108.569
C3 C2 H8 109.872 H4 C3 H5 108.072
H4 C3 H6 107.993 H5 C3 H6 107.848
H7 C2 H8 105.113 H9 C1 H10 117.712

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