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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

LSDA/STO-3G


Point group is C1
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 1.3016 -0.2987 -0.0410   1.3032 -0.2929 -0.0302
C2 0.0801 0.5621 0.0597   0.0770 0.5644 0.0378
C3 -1.2270 -0.2494 -0.0425   -1.2256 -0.2576 -0.0320
H4 -2.1030 0.4121 0.0350   -2.1052 0.4016 0.0204
H5 -1.2769 -0.7807 -1.0045   -1.2730 -0.8261 -0.9727
H6 -1.2789 -0.9948 0.7653   -1.2730 -0.9714 0.8041
H7 0.0704 1.1174 1.0250   0.0647 1.1566 0.9808
H8 0.1003 1.3364 -0.7306   0.0926 1.3076 -0.7819
H9 2.2658 0.1354 -0.3288   2.2648 0.1350 -0.3354
H10 1.2941 -1.3098 0.3818   1.3015 -1.2869 0.4314
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4977 2.5291 3.4788 2.7945 2.7917 2.1581 2.1429 1.0958 1.0960
C2 1.4977 1.5419 2.1883 2.1856 2.1837 1.1137 1.1066 2.2606 2.2542
C3 2.5291 1.5419 1.1004 1.1001 1.1004 2.1658 2.1794 3.5256 2.7678
H4 3.4788 2.1883 1.1004 1.7849 1.7866 2.4902 2.5090 4.3926 3.8243
H5 2.7945 2.1856 1.1001 1.7849 1.7827 3.0882 2.5405 3.7211 2.9685
H6 2.7917 2.1837 1.1004 1.7866 1.7827 2.5197 3.0942 3.8780 2.6204
H7 2.1581 1.1137 2.1658 2.4902 3.0882 2.5197 1.7694 2.7598 2.7933
H8 2.1429 1.1066 2.1794 2.5090 2.5405 3.0942 1.7694 2.5086 3.1089
H9 1.0958 2.2606 3.5256 4.3926 3.7211 3.8780 2.7598 2.5086 1.8809
H10 1.0960 2.2542 2.7678 3.8243 2.9685 2.6204 2.7933 3.1089 1.8809
Maximum atom distance is 4.3926Å 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 112.613
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H7 110.603 C1 C2 H8 109.832
C2 C1 H9 120.503 C2 C1 H10 119.914
C2 C3 H4 110.721 C2 C3 H5 110.523
C2 C3 H6 110.351 C3 C2 H7 108.209
C3 C2 H8 109.658 H4 C3 H5 108.413
H4 C3 H6 108.541 H5 C3 H6 108.216
H7 C2 H8 105.681 H9 C1 H10 118.217

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