| 11:51:22 AM PST - Thu, Jan 14th 2016 |
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First, you need to specify an ECP input block for Se and Cs, i.e.
ECP
Se library LANL08
Cs library LANL08
END
Second, change "set atomscf:z -1 1" to "set:atomscf:z -1.0 1.0"
Third, I don't understand why you have two SCF input blocks. My guess is that the first input block is from some other calculation because it does not appear consistent with the rest of the input you show above. If that is the case, you would want to remove that from your input file, otherwise the program will try to perform a fragment initial guess using those files, which based on their names seem to describe atoms/molecules not present in this input.
Fourth, only the DIRECT_MP2 and RIMP2 modules are compatible with frozen virtual orbitals. However, these two modules lack analytical gradients, so you should be aware that the program will automatically switch to numerical gradients, which will probably result in a significantly longer calculation than you may expect for optimization.
With the above mentioned changes, I was able to run this input without trouble (note I did not do the full optimization so I don't know if it will converge in the default number of steps, but the calculation does proceed without issue).
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