# All-electron scalar relativistic basis sets for third row transition metal atoms # # D. A. Pantazis, X.-Y. Chen, C. R. Landis, F. Neese # J. Chem. Theory Comput. 2008 (4), 908-919. ##################################################### # SARC-ZORA ##################################################### # 22s15p11d6f1g contracted to 17s11p8d3f1g: # {61111111111111111/51111111111/41111111/411/1} # Remove g function for TZV. ##################################################### # Basis set for element : W NewGTO 74 s 6 1 1519303.1478090000 0.0537132340 2 675245.8434700000 -0.0119483375 3 300109.2637650000 0.1186041422 4 133381.8950070000 0.0906770925 5 59280.8422250000 0.3249522124 6 26347.0409890000 0.5478423096 s 1 1 11709.7959950000 1.0000000000 s 1 1 5204.3537760000 1.0000000000 s 1 1 2313.0461220000 1.0000000000 s 1 1 1028.0204990000 1.0000000000 s 1 1 456.8980000000 1.0000000000 s 1 1 203.0657780000 1.0000000000 s 1 1 90.2514570000 1.0000000000 s 1 1 40.1117590000 1.0000000000 s 1 1 17.8274480000 1.0000000000 s 1 1 7.9233100000 1.0000000000 s 1 1 3.5214710000 1.0000000000 s 1 1 1.5650980000 1.0000000000 s 1 1 0.6955990000 1.0000000000 s 1 1 0.3091550000 1.0000000000 s 1 1 0.1374020000 1.0000000000 s 1 1 0.0610680000 1.0000000000 p 5 1 21121.4421570000 0.0106945867 2 8448.5768630000 0.0164306117 3 3379.4307450000 0.0787085552 4 1351.7722980000 0.2506724097 5 540.7089190000 0.7435012320 p 1 1 216.2835680000 1.0000000000 p 1 1 86.5134270000 1.0000000000 p 1 1 34.6053710000 1.0000000000 p 1 1 13.8421480000 1.0000000000 p 1 1 5.5368590000 1.0000000000 p 1 1 2.2147440000 1.0000000000 p 1 1 0.8858970000 1.0000000000 p 1 1 0.3543590000 1.0000000000 p 1 1 0.1417440000 1.0000000000 p 1 1 0.0566970000 1.0000000000 d 4 1 1588.1265100000 0.0076152113 2 577.5005490000 0.0440574263 3 210.0002000000 0.2467685126 4 76.3637090000 0.8047753930 d 1 1 27.7686210000 1.0000000000 d 1 1 10.0976810000 1.0000000000 d 1 1 3.6718840000 1.0000000000 d 1 1 1.3352300000 1.0000000000 d 1 1 0.4855380000 1.0000000000 d 1 1 0.1765590000 1.0000000000 d 1 1 0.0642030000 1.0000000000 f 4 1 63.0800830000 0.0769410801 2 21.0266940000 0.3155702178 3 7.0088980000 0.5474985879 4 2.3362990000 0.3749868231 f 1 1 0.7787660000 1.0000000000 f 1 1 0.2595890000 1.0000000000 g 1 1 0.5129300000 1.0000000000 end