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. |
![[ Previous ]](/ceilidh-icons/ceil_prv.gif){kind=icon}
![[ Next ]](/ceilidh-icons/ceil_nxt.gif){kind=icon}
![[ Index ]](/ceilidh-icons/ceil_ind.gif){kind=icon}
Tue Jul 9 '13 10:54pm![[ Reply ]](/ceilidh-icons/ceil_rep.gif){kind=icon}
![[ Edit ]](/ceilidh-icons/ceil_edt.gif){kind=icon}
![[ Delete ]](/ceilidh-icons/ceil_del.gif){kind=icon}
This message read 1121 times