yes.. it is the saddle point on the potential energy surface.. as indicated by the output having only one imaginary frequency.. but what im concerned about is the negative energy barrier. Ill attach my file so that you can help me about it
This message contains the 417 kb attachment
[ mp2acrylo.out ]
![[ Previous ]](/ceilidh-icons/ceil_prv.gif){kind=icon}
![[ Next ]](/ceilidh-icons/ceil_nxt.gif){kind=icon}
![[ Index ]](/ceilidh-icons/ceil_ind.gif){kind=icon}
Wed Feb 24 '10 6:04pm![[ 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 613 times