Def2 basis sets

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Just Got Here
Threads 1
Posts 1
I have a strange problem, and I'm wondering if someone could help me to fix it.

I've been trying to use the Def2 basis sets with Gaussian 09, Revision A.02. They do not appear to be included in the installation running on my local cluster. Unfortunately, I'm having some difficulty. I try running a test calculation (O3LYP/Def2-TZVP), but get the following error:

General basis read from cards:  (5D, 7F)
End of file reading basis center.
Error termination via Lnk1e in /home/programmes/gaussian//g09/l301.exe

Other Def2 basis sets have given the same error.

I've checked, and the basis set is definitely correctly included in the input file (following the molecule specification and using the gen keyword). Other basis sets I've downloaded from EMSL have all worked without any issue.

If someone could help me work out what's going wrong, I'd appreciate it!


Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC