***, HCN <--> NHC Transition State Optimization and Frequencies rcn=1.18 ang rnh=1.40 ang alpha=55 degree basis=vtz geometry={ C N,1,rcn H,2,rnh,1,alpha} hf ccsd(t) optg,numerical,root=2,hessproc=runmp2 !Transition state optimization for ccsd(t) !using mp2 hessian frequencies !CCSD(T) frequencies (using numerical second derivatives) runmp2={hf;mp2} !procedure definition ---