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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

MP2=FULL/6-31G**


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.2935 -0.2956 -0.0437   -1.2921 -0.3034 -0.0295
C2 0.0763 0.5563 0.0583   -0.0790 0.5579 0.0344
C3 -1.2174 -0.2457 -0.0407   1.2185 -0.2415 -0.0313
H4 -2.0894 0.4003 0.0368   2.0874 0.4115 0.0172
H5 -1.2699 -0.7742 -0.9901   1.2727 -0.8101 -0.9571
H6 -1.2739 -0.9849 0.7566   1.2793 -0.9452 0.7971
H7 0.0805 1.1070 1.0069   -0.0849 1.1490 0.9583
H8 0.0976 1.3196 -0.7212   -0.1046 1.2868 -0.7774
H9 2.2461 0.1298 -0.3139   -2.2470 0.1054 -0.3168
H10 1.2945 -1.2873 0.3809   -1.2880 -1.2758 0.4375
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4891 2.5114 3.4546 2.7740 2.7762 2.1313 2.1209 1.0777 1.0788
C2 1.4891 1.5254 2.1714 2.1637 2.1647 1.0968 1.0913 2.2424 2.2331
C3 2.5114 1.5254 1.0880 1.0878 1.0887 2.1475 2.1547 3.4945 2.7518
H4 3.4546 2.1714 1.0880 1.7622 1.7612 2.4797 2.4905 4.3580 3.7970
H5 2.7740 2.1637 1.0878 1.7622 1.7593 3.0578 2.5152 3.6927 2.9528
H6 2.7762 2.1647 1.0887 1.7612 1.7593 2.5046 3.0620 3.8444 2.6133
H7 2.1313 1.0968 2.1475 2.4797 3.0578 2.5046 1.7412 2.7183 2.7565
H8 2.1209 1.0913 2.1547 2.4905 2.5152 3.0620 1.7412 2.4895 3.0730
H9 1.0777 2.2424 3.4945 4.3580 3.6927 3.8444 2.7183 2.4895 1.8429
H10 1.0788 2.2331 2.7518 3.7970 2.9528 2.6133 2.7565 3.0730 1.8429
Maximum atom distance is 4.3580Å 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 112.831
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.084 C1 C2 H8 109.590
C2 C1 H9 120.923 C2 C1 H10 119.982
C2 C3 H4 111.281 C2 C3 H5 110.668
C2 C3 H6 110.699 C3 C2 H7 108.864
C3 C2 H8 109.751 H4 C3 H5 108.176
H4 C3 H6 108.024 H5 C3 H6 107.869
H7 C2 H8 105.456 H9 C1 H10 117.429

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