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Geometry for CH3CHCH3 (Isopropyl radical) 2A C2

1910171554
InChI=1S/C3H7/c1-3-2/h3H,1-2H3 INChIKey=HNUALPPJLMYHDK-UHFFFAOYSA-N

wB97X-D/6-311+G(3df,2p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0089 0.5388 0.0000   0.0000 0.5380 -0.0299
C2 -0.0089 -0.1985 1.2889   1.2889 -0.1987 -0.0012
C3 -0.0089 -0.1985 -1.2889   -1.2889 -0.1987 -0.0012
H4 0.1793 1.6044 0.0000   0.0000 1.6102 0.1166
H5 -0.7774 -0.9781 1.3017   1.3017 -1.0077 -0.7387
H6 -0.7774 -0.9781 -1.3017   -1.3017 -1.0077 -0.7387
H7 0.9482 -0.7111 1.4628   1.4628 -0.6736 0.9753
H8 -0.1803 0.4615 2.1389   2.1389 0.4541 -0.1982
H9 0.9482 -0.7111 -1.4628   -1.4628 -0.6736 0.9753
H10 -0.1803 0.4615 -2.1389   -2.1389 0.4541 -0.1982
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4849 1.4849 1.0821 2.1415 2.1415 2.1490 2.1471 2.1490 2.1471
C2 1.4849 2.5778 2.2242 1.0948 2.8124 1.0996 1.0897 2.9582 3.4949
C3 1.4849 2.5778 2.2242 2.8124 1.0948 2.9582 3.4949 1.0996 1.0897
H4 1.0821 2.2242 2.2242 3.0461 3.0461 2.8448 2.4516 2.8448 2.4516
H5 2.1415 1.0948 2.8124 3.0461 2.6034 1.7536 1.7692 3.2698 3.7771
H6 2.1415 2.8124 1.0948 3.0461 2.6034 3.2698 3.7771 1.7536 1.7692
H7 2.1490 1.0996 2.9582 2.8448 1.7536 3.2698 1.7623 2.9257 3.9524
H8 2.1471 1.0897 3.4949 2.4516 1.7692 3.7771 1.7623 3.9524 4.2778
H9 2.1490 2.9582 1.0996 2.8448 3.2698 1.7536 2.9257 3.9524 1.7623
H10 2.1471 3.4949 1.0897 2.4516 3.7771 1.7692 3.9524 4.2778 1.7623
Maximum atom distance is 4.2778Å between atoms H8 and H10.
picture of Isopropyl radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 C3 120.460
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.329 C1 C2 H7 111.641
C1 C2 H8 112.108 C1 C3 H6 111.329
C1 C3 H9 111.641 C1 C3 H10 112.108
C2 C1 H4 119.272 C3 C1 H4 119.272
H5 C2 H7 106.091 H5 C2 H8 108.167
H6 C3 H9 106.091 H6 C3 H10 108.167
H7 C2 H8 107.210 H9 C3 H10 107.210

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