CCL:G: How to Perform Natural Transition Orbital (NTO) Analysis in G09



 Sent to CCL by: "G VEL MURUGAN" [murugan4chemistry+/-gmail.com]
 Dear All,
        I try to perform Natural Transition Orbital (NTO) analysis with
 Gaussian09 according to G09 manual, but always failed.
 Here is my route section input:
 # opt td=(root=1,nstates=6) b3lyp/6-31g(d) density=transition=1 pop(NTO,
 saveNTO)
 Is my input is correct? Can anyone kindly tell me how to get NTOs with G09? how
 to analyze the output? If it is possible, can you please send me a input &
 output sample. Thanks in advance,
 With Best Regards,
 Velmurugan G