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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

B3LYPultrafine/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0114 0.5333 0.0000   0.0000 0.5320 -0.0387
C2 -0.0114 -0.1969 1.2995   1.2995 -0.1973 -0.0013
C3 -0.0114 -0.1969 -1.2995   -1.2995 -0.1973 -0.0013
H4 0.2344 1.5912 0.0000   0.0000 1.6011 0.1527
H5 -0.7206 -1.0351 1.2913   1.2913 -1.0706 -0.6668
H6 -0.7206 -1.0351 -1.2913   -1.2913 -1.0706 -0.6668
H7 0.9751 -0.6364 1.5324   1.5324 -0.5857 1.0064
H8 -0.2692 0.4576 2.1381   2.1381 0.4432 -0.2922
H9 0.9751 -0.6364 -1.5324   -1.5324 -0.5857 1.0064
H10 -0.2692 0.4576 -2.1381   -2.1381 0.4432 -0.2922
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4906 1.4906 1.0861 2.1518 2.1518 2.1656 2.1550 2.1656 2.1550
C2 1.4906 2.5990 2.2241 1.0980 2.8138 1.1048 1.0946 3.0309 3.5089
C3 1.4906 2.5990 2.2241 2.8138 1.0980 3.0309 3.5089 1.1048 1.0946
H4 1.0861 2.2241 2.2241 3.0785 3.0785 2.8035 2.4719 2.8035 2.4719
H5 2.1518 1.0980 2.8138 3.0785 2.5825 1.7586 1.7746 3.3178 3.7673
H6 2.1518 2.8138 1.0980 3.0785 2.5825 3.3178 3.7673 1.7586 1.7746
H7 2.1656 1.1048 3.0309 2.8035 1.7586 3.3178 1.7641 3.0648 4.0272
H8 2.1550 1.0946 3.5089 2.4719 1.7746 3.7673 1.7641 4.0272 4.2763
H9 2.1656 3.0309 1.1048 2.8035 3.3178 1.7586 3.0648 4.0272 1.7641
H10 2.1550 3.5089 1.0946 2.4719 3.7673 1.7746 4.0272 4.2763 1.7641
Maximum atom distance is 4.2763Å 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 121.332
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.556 C1 C2 H7 112.251
C1 C2 H8 112.023 C1 C3 H6 111.556
C1 C3 H9 112.251 C1 C3 H10 112.023
C2 C1 H4 118.502 C3 C1 H4 118.502
H5 C2 H7 105.944 H5 C2 H8 108.064
H6 C3 H9 105.944 H6 C3 H10 108.064
H7 C2 H8 106.658 H9 C3 H10 106.658

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