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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=FULLultrafine/STO-3G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0168 0.5522 0.0000   0.0000 0.5488 -0.0637
C2 -0.0168 -0.2052 1.3231   1.3231 -0.2059 0.0007
C3 -0.0168 -0.2052 -1.3231   -1.3231 -0.2059 0.0007
H4 0.3889 1.5726 0.0000   0.0000 1.6000 0.2538
H5 -0.7216 -1.0506 1.2915   1.2915 -1.1082 -0.6296
H6 -0.7216 -1.0506 -1.2915   -1.2915 -1.1082 -0.6296
H7 0.9826 -0.6170 1.5566   1.5566 -0.5312 1.0315
H8 -0.3043 0.4559 2.1549   2.1549 0.4284 -0.3420
H9 0.9826 -0.6170 -1.5566   -1.5566 -0.5312 1.0315
H10 -0.3043 0.4559 -2.1549   -2.1549 0.4284 -0.3420
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.5246 1.5246 1.0981 2.1757 2.1757 2.1883 2.1761 2.1883 2.1761
C2 1.5246 2.6462 2.2530 1.1011 2.8368 1.1058 1.1007 3.0759 3.5519
C3 1.5246 2.6462 2.2530 2.8368 1.1011 3.0759 3.5519 1.1058 1.1007
H4 1.0981 2.2530 2.2530 3.1277 3.1277 2.7513 2.5241 2.7513 2.5241
H5 2.1757 1.1011 2.8368 3.1277 2.5829 1.7783 1.7858 3.3472 3.7843
H6 2.1757 2.8368 1.1011 3.1277 2.5829 3.3472 3.7843 1.7783 1.7858
H7 2.1883 1.1058 3.0759 2.7513 1.7783 3.3472 1.7791 3.1132 4.0721
H8 2.1761 1.1007 3.5519 2.5241 1.7858 3.7843 1.7791 4.0721 4.3097
H9 2.1883 3.0759 1.1058 2.7513 3.3472 1.7783 3.1132 4.0721 1.7791
H10 2.1761 3.5519 1.1007 2.5241 3.7843 1.7858 4.0721 4.3097 1.7791
Maximum atom distance is 4.3097Å 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 120.417
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 110.888 C1 C2 H7 111.609
C1 C2 H8 110.939 C1 C3 H6 110.888
C1 C3 H9 111.609 C1 C3 H10 110.939
C2 C1 H4 117.496 C3 C1 H4 117.496
H5 C2 H7 107.376 H5 C2 H8 108.400
H6 C3 H9 107.376 H6 C3 H10 108.400
H7 C2 H8 107.466 H9 C3 H10 107.466

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