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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/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -1.3436 -0.0874 0.0000   1.3442 -0.0788 0.0043
C2 0.0000 0.5804 0.0000   -0.0037 0.5800 -0.0210
C3 1.1705 -0.4149 0.0000   -1.1679 -0.4222 0.0141
H4 2.1231 0.1077 0.0000   -2.1237 0.0939 -0.0057
H5 1.1375 -1.0541 0.8776   -1.1317 -1.0289 0.9143
H6 1.1375 -1.0541 -0.8776   -1.1298 -1.0925 -0.8397
H7 0.0853 1.2248 -0.8717   -0.0922 1.1918 -0.9156
H8 0.0853 1.2248 0.8717   -0.0940 1.2550 0.8266
H9 -1.7650 -0.4586 0.9183   1.7669 -0.4136 0.9357
H10 -1.7650 -0.4586 -0.9183   1.7689 -0.4802 -0.8996
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.5004 2.5354 3.4722 2.8037 2.8037 2.1269 2.1269 1.0763 1.0763
C2 1.5004 1.5365 2.1750 2.1762 2.1762 1.0874 1.0874 2.2445 2.2445
C3 2.5354 1.5365 1.0865 1.0862 1.0862 2.1509 2.1509 3.0761 3.0761
H4 3.4722 2.1750 1.0865 1.7582 1.7582 2.4820 2.4820 4.0349 4.0349
H5 2.8037 2.1762 1.0862 1.7582 1.7552 3.0595 2.5101 2.9632 3.4647
H6 2.8037 2.1762 1.0862 1.7582 1.7552 2.5101 3.0595 3.4647 2.9632
H7 2.1269 1.0874 2.1509 2.4820 3.0595 2.5101 1.7434 3.0759 2.5019
H8 2.1269 1.0874 2.1509 2.4820 2.5101 3.0595 1.7434 2.5019 3.0759
H9 1.0763 2.2445 3.0761 4.0349 2.9632 3.4647 3.0759 2.5019 1.8365
H10 1.0763 2.2445 3.0761 4.0349 3.4647 2.9632 2.5019 3.0759 1.8365
Maximum atom distance is 4.0349Å 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 113.196
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.511 C1 C2 H8 109.511
C2 C1 H9 120.268 C2 C1 H10 120.268
C2 C3 H4 110.875 C2 C3 H5 110.979
C2 C3 H6 110.979 C3 C2 H7 108.915
C3 C2 H8 108.915 H4 C3 H5 108.043
H4 C3 H6 108.043 H5 C3 H6 107.792
H7 C2 H8 106.576 H9 C1 H10 117.109

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