The original value for the gradient norm was not reported, nor were any convergence options that might have been used as keywords for transition state location. The value of the transition state imaginary mode at the reported geometry emerges as 364.18i cm -1 for a dichloromethane model 20 and 390.0i for the gas-phase, compared with values of 286i (Table ) 9 and 390i cm -1 (Table ) respectively, good replication for the latter but less so for the former.