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

[John Keller <jwkeller\a/alaska.edu>]

 Sent to CCL by: John Keller [jwkeller^alaska.edu]
 Hi G09 only has NBO v3. You might try QChem 4 which has NBO 5. QChem
 has a 60-day free trial offer.
 John Keller
 Sent from my iPhone
 On Nov 1, 2012, at 11:11 AM, "G VEL MURUGAN
 murugan4chemistry|*|gmail.com" <owner-chemistry . ccl.net> wrote:
 >
 > 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>
 >