H3 Transition State Optimization via CWU WebMO

The WebMO web interface was used to submit the calculation and visualize the calculation results. The manda.hpc.cwu.edu Linux server was used to run the calculation. The Gaussian input file is: %NProcShared=4 # opt=(calcall,ts,noeigentest) freq integral=(acc2e=11) ub3lyp/gen guess=Harris scf=yqc empiricaldispersion=gd3bj H3 Transition State Optimization on http://manda.hpc.cwu.edu/webmo H + H-H = H-H + H 0 2 H H 1 0.9 H 1 0.9 2 180.0 H 0 6-31g(d) ****