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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

CCSD(T)/6-31G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0137 0.5448 0.0000   -0.0354 -0.5436 -0.0137
C2 -0.0137 -0.2007 1.2977   1.3080 0.1160 -0.0137
C3 -0.0137 -0.2007 -1.2977   -1.2819 0.2845 -0.0137
H4 0.3096 1.5802 0.0000   -0.1026 -1.5768 0.3096
H5 -0.7589 -1.0021 1.2886   1.3510 0.9163 -0.7589
H6 -0.7589 -1.0021 -1.2886   -1.2209 1.0836 -0.7589
H7 0.9582 -0.6760 1.4960   1.5367 0.5775 0.9582
H8 -0.2312 0.4577 2.1408   2.1065 -0.5956 -0.2312
H9 0.9582 -0.6760 -1.4960   -1.4490 0.7717 0.9582
H10 -0.2312 0.4577 -2.1408   -2.1659 -0.3178 -0.2312
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4966 1.4966 1.0847 2.1468 2.1468 2.1616 2.1535 2.1616 2.1535
C2 1.4966 2.5954 2.2271 1.0944 2.8083 1.0999 1.0915 2.9959 3.5077
C3 1.4966 2.5954 2.2271 2.8083 1.0944 2.9959 3.5077 1.0999 1.0915
H4 1.0847 2.2271 2.2271 3.0774 3.0774 2.7837 2.4769 2.7837 2.4769
H5 2.1468 1.0944 2.8083 3.0774 2.5773 1.7600 1.7707 3.2877 3.7643
H6 2.1468 2.8083 1.0944 3.0774 2.5773 3.2877 3.7643 1.7600 1.7707
H7 2.1616 1.0999 2.9959 2.7837 1.7600 3.2877 1.7650 2.9920 3.9907
H8 2.1535 1.0915 3.5077 2.4769 1.7707 3.7643 1.7650 3.9907 4.2815
H9 2.1616 2.9959 1.0999 2.7837 3.2877 1.7600 2.9920 3.9907 1.7650
H10 2.1535 3.5077 1.0915 2.4769 3.7643 1.7707 3.9907 4.2815 1.7650
Maximum atom distance is 4.2815Å 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 120.252
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.951 C1 C2 H7 111.814
C1 C2 H8 111.672 C1 C3 H6 110.951
C1 C3 H9 111.814 C1 C3 H10 111.672
C2 C1 H4 118.390 C3 C1 H4 118.390
H5 C2 H7 106.659 H5 C2 H8 108.203
H6 C3 H9 106.659 H6 C3 H10 108.203
H7 C2 H8 107.306 H9 C3 H10 107.306

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