Leira Ruth A. F.
leiraruth@gmail.com
What could likely be wrong with my input when the output does not show a frequency calculation? In my input, hssend=.t. but my output stops right after geometry optimization. It's the frequency calculation I am interested in because I'm looking for the transition structure.
Attached is my output file.
Looking forward to your reply,
Leira
 | This message contains the 1199 kb attachment [ ts_en_hess+sadpt.log ] hessian+saddle point calculation for the guess endo transition structure for cyclopentadiene+maleic anhydride reaction. |
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