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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

B2PLYP=FULL/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0125 0.5382 0.0000   -0.0234 0.5377 -0.0125
C2 -0.0125 -0.1982 1.2945   -1.2846 -0.2543 -0.0125
C3 -0.0125 -0.1982 -1.2945   1.3019 -0.1416 -0.0125
H4 0.2653 1.5850 0.0000   -0.0690 1.5835 0.2653
H5 -0.7394 -1.0164 1.2877   -1.2422 -1.0715 -0.7394
H6 -0.7394 -1.0164 -1.2877   1.3307 -0.9594 -0.7394
H7 0.9649 -0.6575 1.5073   -1.4772 -0.7225 0.9649
H8 -0.2455 0.4558 2.1365   -2.1544 0.3623 -0.2455
H9 0.9649 -0.6575 -1.5073   1.5345 -0.5912 0.9649
H10 -0.2455 0.4558 -2.1365   2.1147 0.5485 -0.2455
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4892 1.4892 1.0830 2.1455 2.1455 2.1580 2.1508 2.1580 2.1508
C2 1.4892 2.5889 2.2209 1.0945 2.8045 1.1007 1.0914 3.0027 3.5005
C3 1.4892 2.5889 2.2209 2.8045 1.0945 3.0027 3.5005 1.1007 1.0914
H4 1.0830 2.2209 2.2209 3.0716 3.0716 2.7911 2.4699 2.7911 2.4699
H5 2.1455 1.0945 2.8045 3.0716 2.5754 1.7554 1.7698 3.2932 3.7599
H6 2.1455 2.8045 1.0945 3.0716 2.5754 3.2932 3.7599 1.7554 1.7698
H7 2.1580 1.1007 3.0027 2.7911 1.7554 3.2932 1.7609 3.0146 3.9978
H8 2.1508 1.0914 3.5005 2.4699 1.7698 3.7599 1.7609 3.9978 4.2731
H9 2.1580 3.0027 1.1007 2.7911 3.2932 1.7554 3.0146 3.9978 1.7609
H10 2.1508 3.5005 1.0914 2.4699 3.7599 1.7698 3.9978 4.2731 1.7609
Maximum atom distance is 4.2731Å 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 120.735
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.361 C1 C2 H7 111.987
C1 C2 H8 111.986 C1 C3 H6 111.361
C1 C3 H9 111.987 C1 C3 H10 111.986
C2 C1 H4 118.548 C3 C1 H4 118.548
H5 C2 H7 106.195 H5 C2 H8 108.120
H6 C3 H9 106.195 H6 C3 H10 108.120
H7 C2 H8 106.886 H9 C3 H10 106.886

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