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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

HF/aug-cc-pVQZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0155 0.5441 0.0000   0.0412 -0.5426 -0.0155
C2 -0.0155 -0.2004 1.2971   1.2783 0.2980 -0.0155
C3 -0.0155 -0.2004 -1.2971   -1.3086 0.1017 -0.0155
H4 0.3468 1.5564 0.0000   0.1178 -1.5520 0.3468
H5 -0.7715 -0.9785 1.3029   1.2251 1.0743 -0.7715
H6 -0.7715 -0.9785 -1.3029   -1.3733 0.8771 -0.7715
H7 0.9426 -0.6881 1.4779   1.4216 0.7980 0.9426
H8 -0.2052 0.4587 2.1347   2.1633 -0.2958 -0.2052
H9 0.9426 -0.6881 -1.4779   -1.5258 0.5743 0.9426
H10 -0.2052 0.4587 -2.1347   -2.0939 -0.6189 -0.2052
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4957 1.4957 1.0752 2.1419 2.1419 2.1496 2.1448 2.1496 2.1448
C2 1.4957 2.5943 2.2137 1.0849 2.8173 1.0902 1.0826 2.9761 3.4997
C3 1.4957 2.5943 2.2137 2.8173 1.0849 2.9761 3.4997 1.0902 1.0826
H4 1.0752 2.2137 2.2137 3.0617 3.0617 2.7527 2.4631 2.7527 2.4631
H5 2.1419 1.0849 2.8173 3.0617 2.6059 1.7474 1.7545 3.2796 3.7688
H6 2.1419 2.8173 1.0849 3.0617 2.6059 3.2796 3.7688 1.7474 1.7545
H7 2.1496 1.0902 2.9761 2.7527 1.7474 3.2796 1.7504 2.9559 3.9603
H8 2.1448 1.0826 3.4997 2.4631 1.7545 3.7688 1.7504 3.9603 4.2694
H9 2.1496 2.9761 1.0902 2.7527 3.2796 1.7474 2.9559 3.9603 1.7504
H10 2.1448 3.4997 1.0826 2.4631 3.7688 1.7545 3.9603 4.2694 1.7504
Maximum atom distance is 4.2694Å 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 120.287
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.202 C1 C2 H7 111.502
C1 C2 H8 111.585 C1 C3 H6 111.202
C1 C3 H9 111.502 C1 C3 H10 111.585
C2 C1 H4 117.952 C3 C1 H4 117.952
H5 C2 H7 106.903 H5 C2 H8 108.084
H6 C3 H9 106.903 H6 C3 H10 108.084
H7 C2 H8 107.342 H9 C3 H10 107.342

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