Add tdprp=.t. iroot=n in tddft section, where n - sequence number of the state of interest

Thank you Oleg Gromov ,I also like to know that will it make a separate file such as .dat or .wfn to analysis ..?However I made a calculation using AIMPAC keyword but after the calculation without any error I could not find out the file in the input/output destination path.Please help since l am a novice.

Iresh,

In your rungms (or something like that) script some other folder for punch (or .dat) files can be specified, so files containing $vec groups can be in a folder named, for example, scr. Just either look around for such folders, or look in the script.

Thank you again.I will look at .

Is it possible with Gaussian also?

Saisudhakar,

For gaussian you can try multiwfn program (though with some options for gaussian logging turned on), I have never tried it (likewise I have never used gaussian), so use google and manual for details =)

Thank you Oleg :-)