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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

MP4=FULL/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0130 0.5561 0.0000   -0.0368 0.5548 -0.0130
C2 -0.0130 -0.2058 1.3123   1.3231 -0.1185 -0.0130
C3 -0.0130 -0.2058 -1.3123   -1.2958 -0.2922 -0.0130
H4 0.3079 1.5974 0.0000   -0.1057 1.5938 0.3079
H5 -0.7732 -1.0032 1.2936   1.3572 -0.9154 -0.7732
H6 -0.7732 -1.0032 -1.2936   -1.2244 -1.0866 -0.7732
H7 0.9645 -0.6886 1.5016   1.5439 -0.5878 0.9645
H8 -0.2284 0.4596 2.1603   2.1252 0.6016 -0.2284
H9 0.9645 -0.6886 -1.5016   -1.4528 -0.7865 0.9645
H10 -0.2284 0.4596 -2.1603   -2.1860 0.3156 -0.2284
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.5174 1.5174 1.0896 2.1640 2.1640 2.1817 2.1732 2.1817 2.1732
C2 1.5174 2.6246 2.2531 1.1019 2.8293 1.1066 1.0992 3.0178 3.5424
C3 1.5174 2.6246 2.2531 2.8293 1.1019 3.0178 3.5424 1.1066 1.0992
H4 1.0896 2.2531 2.2531 3.0992 3.0992 2.8128 2.4998 2.8128 2.4998
H5 2.1640 1.1019 2.8293 3.0992 2.5872 1.7782 1.7854 3.3064 3.7903
H6 2.1640 2.8293 1.1019 3.0992 2.5872 3.3064 3.7903 1.7782 1.7854
H7 2.1817 1.1066 3.0178 2.8128 1.7782 3.3064 1.7820 3.0032 4.0189
H8 2.1732 1.0992 3.5424 2.4998 1.7854 3.7903 1.7820 4.0189 4.3207
H9 2.1817 3.0178 1.1066 2.8128 3.3064 1.7782 3.0032 4.0189 1.7820
H10 2.1732 3.5424 1.0992 2.4998 3.7903 1.7854 4.0189 4.3207 1.7820
Maximum atom distance is 4.3207Å 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 119.729
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.404 C1 C2 H7 111.532
C1 C2 H8 111.304 C1 C3 H6 110.404
C1 C3 H9 111.532 C1 C3 H10 111.304
C2 C1 H4 118.671 C3 C1 H4 118.671
H5 C2 H7 107.251 H5 C2 H8 108.416
H6 C3 H9 107.251 H6 C3 H10 108.416
H7 C2 H8 107.777 H9 C3 H10 107.777

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