problem using def2-sv(p) basis

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There are two problems in the basis set definition of your input file
1) The NWChem built-in basis library does not contain the Def2-SV(P) basis, but only the Def2-SVP one. If you need
to use the Def2-SV(P) basis, you have the option to go the EMSL basis set exchange https://bse.pnl.gov/bse/portal and get the basis set definition from there

2) The "Stuttgart RSC ECP" family of ECP/basis sets does not have any entry for Rh, while the related "Stuttgart RSC 1997 ECP" does.

Here is an input snippet that will work for NWChem, but you might want to get the Def2-SV(P) basis set as shown above.


basis
O library Def2-SVP
H library Def2-SVP
C library Def2-SVP
P library Def2-SVP
Rh library "Stuttgart RSC 1997 ECP"
end

ecp
Rh library "Stuttgart RSC 1997 ECP"
end


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