CCL:G: What to change in gaussian03 to calculate thermochemistry?

 Sent to CCL by: =?ISO-8859-1?Q?=D6d=F6n?= Farkas [farkas^chem.elte.hu]
 Hi Taye (and also Steve),
 Since the AM1 and UAM1 keywords activate the old code in l402 for
 wavefunction and gradient calculation SCF keywords won't help. One
 useful trick is using "UHF Int=AM1" insted of UAM1 which will use the
 regular SCF code (l502) for the semiempirical calculation. This should
 help on its own and also, SCF=QC should work is necessary.
 Best wishes,
 Odon
 On Thu, 2007-01-25 at 03:55 -0500, taye beyene demisse
 sene3095~~yahoo.com wrote:
 > Sent to CCL by: "taye beyene demisse" [sene3095 ~ yahoo.com]
 > Sent to CCL by: "Taye Beyene Demisse" [sene3095[a]yahoo.com]
 > Dear CCL subscribers, I am doing a research on conducting
 > polymers(Theoretical and experimnetal investigation. While I am calculating
 the
 > theormodynamic properties by Gaussian03 package it is reporting error. you
 > may have used the program ,so please look at my result at the folowing
 > link, and suggest me some correcting methods.(Copy and paste the link
 > to view the result)
 >
 > http://www.ccl.net/cgi-bin/ccl/day-index.cgi?2007+01+20
 >
 > Thank you,
 > Taye Beyene(AAU)>
 >
 >
 --
 Ödön Farkas
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 Eötvös Loránd University, Budapest
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