***, HCN <--> NHC Isomerization - Transition State Optimization and Frequencies

l1=1.18268242 ang
l2=1.40745082 ang
a1=55.05153416 degree

basis=3-21G

symmetry,nosym
geometry={
          C
          N,1,l1
          H,2,l2,1,a1}

hf                       ! HF-SCF

frequencies,analytical   ! Vibrational frequencies for HF-SCF (analytical Hessian)

mp2                      ! MP2

optg,root=2,method=rf,readhess     ! Transition State Search using Rational Function
                                   ! Optimizer and HF hessian

frequencies              ! Vibrational frequencies for MP2 (numerical Hessian)
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