CCL:G: Gaussian 09 compatibility



I'm no Molden expert by a long shot, but I use Molden 4.8 with Gaussian 09 without any problems. Perhaps you should check that your calculation input files have the required parameters..

http://www.cmbi.ru.nl/molden/gauss.html says:
When using Molden with GAUSSIAN 94/98/03 the following keywords are required on the GAUSSIAN 94/98/03 inputfile:

#P GFINPUT IOP(6/7=3)
#P switches on printing of SCF convergence, GFINPUT switches on printing of Basis Set info, and IOP(6/7=3) switches on printing of all MO's. GAUSSIAN 94/98 per default uses the redundant coordinates optimization procedure resulting in only cartesian coordinates being available on the output file. Molden will covert these into a z-matrix which in general will have lost the dummys and therefore symmetry at the z-matrix level. Use the gaussian keyword opt=z-matrix to get z-matrices on the output.
When using Molden with GAUSSIAN 92 and older versions, use:

#P GFINPUT IOP(6/7=1)
It doesn't make any reference to G09, but I presume nothing too significant has changed. Maybe there are some mysterious settings that you've inadvertently changed in Molden, but I have no idea what they could be. In the case that something along those lines has happened, you could try deleting the .moldenrc file in your home directory to reset any persistent settings to their defaults.

Best of luck,
Jason

On 24 July 2010 03:16, Randy P Sabatini rsabatin%mail.rochester.edu <owner-chemistry::ccl.net> wrote:

Sent to CCL by: "Randy P Sabatini" [rsabatin|*|mail.rochester.edu]
Does the graphical program Molden work with Gaussian 09? Ever since I made the switch from 03 to 09, I haven't been able to view frequencies or orbital populations with Molden. All I get when I open the file are a bunch of plus signs where the atoms should be. Thanks.



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