<html><body><div><font color="#000000" face="arial">Dear Molpro
users</font></div><div><font color="#000000"
face="arial"><br></font></div><div><font color="#000000" face="arial">I am
trying to do TD-DFT calculation for a few lowest excited state of
pigment and use this to predict its UV-VIS
spectra.</font></div><div><font color="#000000" face="arial">I tried different
variations of input but either it ends up with error or calculation is done
but without excited states as a result.</font></div><div><font color="#000000"
face="arial"><br></font></div><div><font color="#000000" face="arial">Could
you please help me with giving me example of exact input file which will
calculate excited states by tddft?</font></div><div><font color="#000000"
face="arial">I am not very experienced in Molpro. I have tried to copy this
sentences from manual </font><span style="font-family: arial; color:
rgb(0, 0, 0); line-height: normal; ">into my input file but it didnt
work.</span></div><div><i><font face="arial"><span style="color: rgb(0, 0, 0);
line-height: normal; ">ks,<func>;
save,2100.2</span><br></font></i></div><pre style="color: rgb(0, 0, 0);
line-height: normal; "><i><font
face="arial">df-tddft,orb=2100.2,nexcit=10</font></i></pre><pre style="color:
rgb(0, 0, 0); line-height: normal; ">Here is an example of my input
file:</pre><pre><font color="#000000"><span style="line-height:
normal;"></span></font><span style="font-size: 12px; "><font
face="arial"><font color="#000000" style=""><span style="line-height: normal;
"></span></font></font></span></pre><span style="font-size: 12px; "><i><pre
style=""><span style=""><font face="arial" style=""><font color="#000000"
style=""><span style="line-height: normal; ">memory,1000,m
geomtyp=xyz
GEOMETRY=pigment.xyz
basis=6-31g
</span></font><span style="white-space: normal; "><font style=""><span
style="line-height: normal; color: rgb(0, 0, 0); ">ks,<func>;
save,2100.2</span></font></span></font></span></pre><pre style=""><pre
style="color: rgb(0, 0, 0); line-height: normal; "><font face="arial"
style="">df-tddft,orb=2100.2,nexcit=10</font></pre></pre></i></span><pre><pre
style="color: rgb(0, 0, 0); line-height: normal; "><i><font
face="arial"></font></i></pre></pre><pre><span style="color: rgb(0, 0, 0);
line-height: normal; ">Thank you in advance for any
advices.</span></pre><pre><span style="color: rgb(0, 0, 0); line-height:
normal; ">Regards, Jana</span></pre><div><br></div></body></html>