# All-electron scalar relativistic basis sets for the actinides # D. A. Pantazis and F. Neese # J. Chem. Theory Comput. 2011, 7, 677-684. DOI:10.1021/ct100736b # SARC-ZORA basis sets # Basis set for element : Md NewGTO 101 S 9 1 71095290.12593000 0.0241234764 2 32316040.96633200 -0.0070405502 3 14689109.53015100 0.0414679822 4 6676867.968250000 0.0190763794 5 3034939.985568000 0.0731301110 6 1379518.175258000 0.0863059521 7 627053.7160270000 0.1747286347 8 285024.4163760000 0.2732923506 9 129556.5528980000 0.4973935863 S 1 1 58889.3422260000 1.0000000000 S 1 1 26767.8828300000 1.0000000000 S 1 1 12167.2194680000 1.0000000000 S 1 1 5530.5543040000 1.0000000000 S 1 1 2513.8883200000 1.0000000000 S 1 1 1142.6765090000 1.0000000000 S 1 1 519.3984130000 1.0000000000 S 1 1 236.0901880000 1.0000000000 S 1 1 107.3137220000 1.0000000000 S 1 1 48.7789640000 1.0000000000 S 1 1 22.1722570000 1.0000000000 S 1 1 10.0782980000 1.0000000000 S 1 1 4.5810450000 1.0000000000 S 1 1 2.0822930000 1.0000000000 S 1 1 0.9464970000 1.0000000000 S 1 1 0.4302260000 1.0000000000 S 1 1 0.1955570000 1.0000000000 S 1 1 0.0888900000 1.0000000000 S 1 1 0.0404040000 1.0000000000 S 1 1 0.0183660000 1.0000000000 P 8 1 1023192.458988000 0.0012011861 2 426330.1912450000 0.0012295340 3 177637.5796850000 0.0049038851 4 74015.6582020000 0.0110090538 5 30839.8575840000 0.0311311096 6 12849.9406600000 0.0860274159 7 5354.1419420000 0.2549499790 8 2230.8924760000 0.7233399697 P 1 1 929.5385320000 1.0000000000 P 1 1 387.3077210000 1.0000000000 P 1 1 161.3782170000 1.0000000000 P 1 1 67.2409240000 1.0000000000 P 1 1 28.0170520000 1.0000000000 P 1 1 11.6737720000 1.0000000000 P 1 1 4.8640710000 1.0000000000 P 1 1 2.0266960000 1.0000000000 P 1 1 0.8444570000 1.0000000000 P 1 1 0.3518570000 1.0000000000 P 1 1 0.1466070000 1.0000000000 P 1 1 0.0610860000 1.0000000000 D 7 1 51278.5205840000 0.0001254375 2 20511.4082340000 0.0003344454 3 8204.5632930000 0.0019546919 4 3281.8253170000 0.0092832009 5 1312.7301270000 0.0513567754 6 525.0920510000 0.2348365466 7 210.0368200000 0.7980791512 D 1 1 84.0147280000 1.0000000000 D 1 1 33.6058910000 1.0000000000 D 1 1 13.4423570000 1.0000000000 D 1 1 5.3769430000 1.0000000000 D 1 1 2.1507770000 1.0000000000 D 1 1 0.8603110000 1.0000000000 D 1 1 0.3441240000 1.0000000000 D 1 1 0.1376500000 1.0000000000 D 1 1 0.0550600000 1.0000000000 F 6 1 6120.8574960000 0.0000483690 2 2354.1759600000 0.0004075722 3 905.4522920000 0.0038541090 4 348.2508820000 0.0342806437 5 133.9426470000 0.2241375640 6 51.5164030000 0.8369190545 F 1 1 19.8140010000 1.0000000000 F 1 1 7.6207700000 1.0000000000 F 1 1 2.9310650000 1.0000000000 F 1 1 1.1273330000 1.0000000000 F 1 1 0.4335900000 1.0000000000 F 1 1 0.1667650000 1.0000000000 end