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The Stuttgart RSC 1997 ECP and associated basis set from https://bse.pnl.gov/bse/portal, it is also the SDD in Gaussian program.
Dear Multiwfn users:
Recently, I performed AdDNP analyses for Boron cluster with actinide atoms included, and when the ECP60MWB RECP with RSC basis set was used to describe the actinide atoms, the results of AdDNP analyses are: 36*3c-2e, 12*5c-2e, 8*6c-2e and 1*37-2e, on the other hand, when the ECP60MWB_SEG basis set was used, the results of AdDNP analyses are: 36*3c-2e, 24*5c-2e, 4*6c-2e. It is obviously that the results are very different. My question is which one is more correct?
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