I am doing DFT calculation on metal complex. I got this error: "Bad data into FinFrg.
Error termination via Lnk1e in /usr/local/g09l/g09/l122.exe at Wed Nov 20 00:00:58 2013.
Job cpu time: 0 days 0 hours 1 minutes 0.9 seconds."
Please suggest some solutions.
I fought with the same error before finding the solution.
In my case, the problem was that the two fragments in my molecule were by default choosing their unpaired orbitals to be alpha spin orbitals, which can't be the case for a singlet PES. The solution was to put a negative sign in front of the spin multiplicity for one of the two fragments.
More details on the usage of the negative sign for the spin multiplicities of fragments can be found here: http://gaussian.com/molspec/
could you please provide an input example for your calculations. According to the Gaussian source code this error occurs while finalizing the guess for a fragment by orthogonalization and when the dimensions are for two fragments are mismatching. Did you set Guess(Fragment=N) option and missing the fragment guess?
I fought with the same error before finding the solution.
In my case, the problem was that the two fragments in my molecule were by default choosing their unpaired orbitals to be alpha spin orbitals, which can't be the case for a singlet PES. The solution was to put a negative sign in front of the spin multiplicity for one of the two fragments.
More details on the usage of the negative sign for the spin multiplicities of fragments can be found here: http://gaussian.com/molspec/
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