UB3LYP Frequency Calculation Error
- From: "±è¼±¾Ö" <nursekim()at()lycos.co.kr>
- Subject: UB3LYP Frequency Calculation Error
- Date: Mon, 21 Aug 2000 01:54:14 +0900 (KST)
Dear CCLers,
I performed frequency calculation on o-cresol cation(doublet state) at the
UB3LYP/6-311+G** level.
The calculation is carried out using Gaussian 98. Here is the input.
%chk=crsbh
#P B3LYP/6-311+G(D,P) OPT Freq Geom=Check Guess=Read TEST
o-cresol cation: Opt & Freq at B3LYP/6-311+G**
1 2
The first part of this compound job, optimization is terminated normally.
However, the frequency calculation is done abnormally with the following error:
Error #1 in AlGdDF.
Error termination via Lnk1e in /home/g98/l1002.exe.
I've never seen this error before.
Why the job is terminated abnormally?
What should I do in order to get the result?
Please, Give me a tip of advice.
Sincerely yours,
nursekim.....
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