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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

B1B95/Def2TZVPP


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2912 -0.2938 -0.0244   -1.2893 -0.3024 -0.0154
C2 0.0806 0.5503 0.0378   -0.0840 0.5506 0.0231
C3 -1.2158 -0.2396 -0.0278   1.2173 -0.2326 -0.0224
H4 -2.0834 0.4152 0.0207   2.0807 0.4286 0.0078
H5 -1.2768 -0.8085 -0.9538   1.2812 -0.8257 -0.9329
H6 -1.2825 -0.9453 0.7990   1.2889 -0.9155 0.8230
H7 0.0897 1.1461 0.9615   -0.0962 1.1709 0.9305
H8 0.1073 1.2928 -0.7646   -0.1159 1.2711 -0.7989
H9 2.2617 0.1392 -0.2124   -2.2626 0.1193 -0.2141
H10 1.2482 -1.3410 0.2357   -1.2396 -1.3420 0.2725
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4771 2.5076 3.4485 2.7791 2.7796 2.1187 2.1135 1.0792 1.0799
C2 1.4771 1.5195 2.1682 2.1614 2.1619 1.0992 1.0936 2.2336 2.2314
C3 2.5076 1.5195 1.0880 1.0885 1.0890 2.1455 2.1545 3.5029 2.7118
H4 3.4485 2.1682 1.0880 1.7600 1.7602 2.4782 2.4871 4.3600 3.7722
H5 2.7791 2.1614 1.0885 1.7600 1.7581 3.0587 2.5232 3.7374 2.8414
H6 2.7796 2.1619 1.0890 1.7602 1.7581 2.5066 3.0635 3.8418 2.6226
H7 2.1187 1.0992 2.1455 2.4782 3.0587 2.5066 1.7324 2.6664 2.8381
H8 2.1135 1.0936 2.1545 2.4871 2.5232 3.0635 1.7324 2.5054 3.0395
H9 1.0792 2.2336 3.5029 4.3600 3.7374 3.8418 2.6664 2.5054 1.8490
H10 1.0799 2.2314 2.7118 3.7722 2.8414 2.6226 2.8381 3.0395 1.8490
Maximum atom distance is 4.3600Å 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 113.603
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 109.773 C1 C2 H8 109.697
C2 C1 H9 121.007 C2 C1 H10 120.754
C2 C3 H4 111.440 C2 C3 H5 110.866
C2 C3 H6 110.873 C3 C2 H7 108.973
C3 C2 H8 110.008 H4 C3 H5 107.925
H4 C3 H6 107.901 H5 C3 H6 107.683
H7 C2 H8 104.379 H9 C1 H10 117.827

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