INTGRL
                                                                        
 
s   3    0           0.10D-14
       6.0    2    3    1    1    1
C  1   0.874714890000000  -2.791147390000000   0.000000000000000       *
C  2  -0.840764050000000  -4.602395800000000   0.000000000000000       *
H   9   3
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H   4   2
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H   1   1
          0.55000000         1.00000000
      53.0    1    4    1    1    1    1
I  1   0.000000000000000   1.099741670000000   0.000000000000000       *
H  20   9
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H  16   7
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                             0.00000000         0.00000000         0.00000000
                             0.00000000
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                             0.00000000
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                             0.00000000
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                             0.00000000         0.00000000         0.00000000
                             0.00000000
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                             0.00000000         0.00000000         0.00000000
                             0.00000000
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                             0.00000000         0.00000000         0.00000000
                             0.00000000
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                             0.00000000
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                             0.00000000         0.00000000         0.00000000
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                             0.00000000
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                             0.00000000         0.00000000         0.00000000
                             0.00000000
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                             1.00000000         0.00000000         0.00000000
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                             0.00000000         0.00000000         1.00000000
                             0.00000000
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                             0.00000000         0.00000000         0.00000000
                             1.00000000
H   9   4
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                             0.00000000
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                             0.00000000
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                             0.00000000
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                             0.00000000
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                             0.00000000
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                             0.00000000
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                             0.00000000
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                             1.00000000
H   2   2
          2.20029999         1.00000000         0.00000000
          0.52320000         0.00000000         1.00000000
       1.0    3    2    1    1
H  1   2.886036240000000  -3.130272100000000   0.000000000000000       *
H  2  -2.849464360000000  -4.234499990000000   0.000000000000000       *
H  3  -0.240269320000000  -6.560253000000000   0.000000000000000       *
H   4   2
         13.01000000         0.01968500         0.00000000
          1.96200000         0.13797700         0.00000000
          0.44460000         0.47814800         0.00000000
          0.12200000         0.50124000         1.00000000
H   1   1
          0.72700000         1.00000000
