Br and I basis set
David T
amazing... at gmail.com
Wed Dec 7 14:41:12 UTC 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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