Br and I basis set

David T amazing... at gmail.com
Wed Dec 7 15:41:12 CET 2011


Thanks a lot.
I post here to help people like me doesn't find it and make a research
on internet:


I  DZVP-MOLOPT-SR-GTH DZVP-MOLOPT-SR-GTH-q7
1
2 0 2 5 2 2 1
      0.966172693776 -0.472463189351  1.555822203873 -0.431253473002
0.437499136144  0.790909981479
      0.828885570527 -0.046174838614 -0.405245398304  0.405448133098
-0.360836974979 -0.706739130323
      0.367159310806  0.674866028669  0.837346281042  0.154408288042
-0.426955819328 -1.146102256372
      0.201369106832  0.441846190432 -2.170714561688  0.307131088797
-0.142879089720 -1.473453298743
      0.083015071126  0.147700751496  2.099200395478  0.151452356751
1.946428231727 -0.517749701272


I GTH-PBE-q7
    2    5
     0.56000000    1     8.20710157
    3
     0.53192813    3     2.30814581     1.00390933    -0.95915606
                                       -2.85610882     2.47653030
                                                      -1.96568498
     0.58918244    2     0.90648219     0.42507060
                                       -0.50295032
     0.73972147    1     0.47919458



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