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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

PBEPBE/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 -0.0104 0.5352 0.0000   0.0213 -0.5348 -0.0104
C2 -0.0104 -0.1964 1.2969   1.2880 0.2480 -0.0104
C3 -0.0104 -0.1964 -1.2969   -1.3037 0.1445 -0.0104
H4 0.2108 1.6063 0.0000   0.0641 -1.6050 0.2108
H5 -0.7582 -1.0109 1.3086   1.2672 1.0623 -0.7582
H6 -0.7582 -1.0109 -1.3086   -1.3478 0.9579 -0.7582
H7 0.9664 -0.6857 1.5067   1.4782 0.7452 0.9664
H8 -0.2198 0.4663 2.1505   2.1674 -0.3801 -0.2198
H9 0.9664 -0.6857 -1.5067   -1.5329 0.6250 0.9664
H10 -0.2198 0.4663 -2.1505   -2.1302 -0.5517 -0.2198
Atom - Atom Distances (Å)
  C1 C2 C3 H4 H5 H6 H7 H8 H9 H10
C1 1.4890 1.4890 1.0937 2.1592 2.1592 2.1714 2.1618 2.1714 2.1618
C2 1.4890 2.5938 2.2317 1.1057 2.8304 1.1124 1.1008 3.0090 3.5168
C3 1.4890 2.5938 2.2317 2.8304 1.1057 3.0090 3.5168 1.1124 1.1008
H4 1.0937 2.2317 2.2317 3.0824 3.0824 2.8450 2.4718 2.8450 2.4718
H5 2.1592 1.1057 2.8304 3.0824 2.6171 1.7661 1.7835 3.3175 3.7996
H6 2.1592 2.8304 1.1057 3.0824 2.6171 3.3175 3.7996 1.7661 1.7835
H7 2.1714 1.1124 3.0090 2.8450 1.7661 3.3175 1.7744 3.0135 4.0137
H8 2.1618 1.1008 3.5168 2.4718 1.7835 3.7996 1.7744 4.0137 4.3011
H9 2.1714 3.0090 1.1124 2.8450 3.3175 1.7661 3.0135 4.0137 1.7744
H10 2.1618 3.5168 1.1008 2.4718 3.7996 1.7835 4.0137 4.3011 1.7744
Maximum atom distance is 4.3011Å 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 121.140
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.786 C1 C2 H7 112.357
C1 C2 H8 112.310 C1 C3 H6 111.786
C1 C3 H9 112.357 C1 C3 H10 112.310
C2 C1 H4 118.764 C3 C1 H4 118.764
H5 C2 H7 105.535 H5 C2 H8 107.857
H6 C3 H9 105.535 H6 C3 H10 107.857
H7 C2 H8 106.589 H9 C3 H10 106.589

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