how to find transition state for H+H gives H2

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AISWARYA CHANDRAN

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Jan 25, 2022, 4:43:27 AMJan 25
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Dear molpro users,
As I am new to molpro, I would like to know if we are able to search for a transition state for a chemical reaction in molpro as we do it for gaussian. I have found finding transition state for isomerization reaction. but when it comes to a chemical reaction how can we apply it into the job?
the transition state search for NHC-HNC isomerisation is :

***, 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 frequencies ! Vibrational frequencies for MP2 (numerical Hessian)
---
Could anyone answer how we can insert a job for finding transition state for H+H gives H2 ?

Thanks in advance
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