NH2 Radical Elimination

The remaining fragment, 9, may further decompose into NH2 radical, 11, and HNC, 12, via NH2 radical elimination on a doublet PES. The barrier is 

6 and 30.7 kcal/mol as calculated with B3P86 and B3LYP, respectively. The transition state, [10]f, has a long C-NH2 distance of 2.205 A and one imaginary frequency of 236i. 

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