CCL:G: guidance for gauss 03

 Sent to CCL by: "Ol  Ga" [eurisco1*_*pochta.ru]
 Dear Deepak Asthana,
 To do frequency dependent (hyper)polarizability calculation please see below
 route sections of test-jobs for Gaussian03 (I think it is the answer )
 #p rhf/3-21g polar geom=modela test cphf=rdfreq
 Gaussian Test Job 459 (Part 4)
 h2co polarizability with separate x,y, read in w
 0,1
 c o h h
 {blank line}
 0.1
 --Link1--
 #p rhf/3-21g polar geom=modela test cphf=(rdfreq,eqsolv) scrf=iefpcm
 Gaussian Test Job 459 (Part 9)
 h2co polarizability with equilibrium solvation, w>0
 0,1
 c o h h
 {blank line}
 0.1
 --Link1--
 #p rhf/3-21g polar geom=modela test cphf=rdfreq scrf=iefpcm
 Gaussian Test Job 459 (Part 10)
 h2co polarizability with non-equilibrium solvation, w>0
 0,1
 c o h h
 {blank line}
 0.1
 Sincerely,
 Ol Ga
 ----- Original Message -----
 > From: "Deepak Asthana deepakasthana82-x-gmail.com"
 <owner-chemistry{:}ccl.net>
 To: "Ga, Ol " <eurisco1{:}pochta.ru>
 Sent: Wednesday, August 13, 2008 11:29 AM
 Subject: CCL: guidance for gauss 03
 >
 >
 > Sent to CCL by: "Deepak  Asthana" [deepakasthana82-$-gmail.com]
 > I want to do a frequency dependent hyperpolarizability calculation usin
 guass 03. Whenever i am trying there is a syntax error messege. I am following
 the gauss 03 manual and i have successfully done the hyperpolarizability
 calculations(DFT,HF)for static frequency but i am not able to do frequency
 dependent hyperpolarizability calculation. The keywords i am using are: Polar
 CPHF=RdFreq(w=0.024)
 > I want first hyperpolarizability at 1907 nm wavelength. Please suggest me
 the correct way to do so. I shall be highly obilised.
 >
 > Thanks
 > Deepak Asthana
 > Ph.D.(Chem.) student
 > JNU, New Delhi, India
 >