Excited-state properties based on analytic derivatives
Using the same input for H2O with additional TDDFT input:
$tddft imethod 1 nexit 0 0 0 1 itda 0 idiag 1 istore 1 iprt 3 lefteig crit_vec 1.d-8 crit_e 1.d-14 $end
Excited state gradient
Input:
$resp GEOM norder 1 method 2 nfiles 1 $end