Bismuth (IV, 4d frozen) BASIS 1S 61.000 2S 38.700 3S 22.600 4S 13.250 2P 40.250 3P 20.300 4P 12.850 3D 23.700 4D 11.900 1S 201.000 5S 7.900 5S 5.400 6S 3.850 6S 2.550 6S 1.720 5P 6.800 5P 4.400 6P 2.900 6P 1.750 6P 1.070 5D 6.150 5D 3.850 5D 2.400 4F 17.950 4F 10.300 4F 6.050 END CORE 4 3 2 0 1S 835.000 1S 201.000 1S 93.800 2S 108.200 2S 40.900 3S 51.950 3S 22.250 4S 13.600 4S 9.700 5S 7.900 5S 5.400 6S 3.850 6S 2.550 6S 1.720 2P 71.600 2P 38.900 3P 22.050 3P 16.050 4P 14.800 4P 10.150 5P 6.800 5P 4.400 6P 2.900 6P 1.750 6P 1.070 3D 29.850 3D 19.150 4D 13.250 4D 8.650 5D 6.150 5D 3.850 5D 2.400 END DESCRIPTION .24546174743581086058E-01 .15308751685267227294E+00 .85878546549040890579E+00 .13086250872962520639E-01 -.33407976545256817813E-01 .29335354984877198142E-01 .96842783954249759062E-03 -.57736896962581093617E-03 .53330712434114719601E-03 -.28419987059580568631E-03 .11728264307100355851E-03 -.45659532963269062458E-04 .22595605341112454551E-04 -.74518987178869502968E-05 -.83308858937783183962E-02 -.60479870912815682227E-01 -.27056424331917561243E+00 -.83275772442121726025E-01 .99787048811670464588E+00 .94557698235203505033E-01 .18128855988242254232E-02 .38555512300010594609E-02 -.57850573052990938647E-02 .44386309663663721728E-02 -.23907019397378347081E-02 .11212636030842049184E-02 -.60824482012821325192E-03 .20974403489884709375E-03 .40543339587088920301E-02 .19132491465847788897E-01 .15481736934159029406E+00 -.51694610517937821317E-02 -.33619479267651636301E+00 -.35386967226246457408E+00 .11956789695304501642E+01 -.61368948601896915543E-02 .69230656977716182113E-02 -.20047950786149589149E-02 -.49715211432555621025E-04 .34522997895953248153E-03 -.26559053197067401027E-03 .10416416780589884299E-03 -.21440571214755383897E-02 -.46097471888331010420E-02 -.94214549514692172427E-01 .27101637330308035734E-01 .85686139977104933130E-01 .30118104680250812333E+00 -.89133010320198802212E+00 .10839169350632764655E+01 .19666577993315079165E+00 -.17203115246439089348E-01 .99337224383858856169E-02 -.58109340537104399796E-02 .35214829524558739771E-02 -.12839231558721671354E-02 .14767164654585032690E+00 .87684927978171356422E+00 .17100900315482066294E-01 -.30895572225587180498E-01 .25428137431597271773E-01 -.10448958109872339903E-01 .40982353862494590516E-02 -.22008003249748904658E-02 .93310933091138173814E-03 -.47713288314555637147E-03 .17562772538167449013E-03 -.58256744344736162422E-01 -.51250297589841653512E+00 .98235080107575001307E+00 .24209245516717056712E+00 -.10028031569381283539E+00 .37097078690484501517E-01 -.14479303264289542300E-01 .78167789648849114736E-02 -.33384322749502519205E-02 .17150179796994536111E-02 -.63284206334014183031E-03 .26314197067388810786E-01 .26932942771090051526E+00 -.48816901615680996507E+00 -.59246367172402292223E+00 .10001359815830110911E+01 .54701115098978103646E+00 .15637256676381959541E-01 -.82995204299393336017E-02 .38762413337020090558E-02 -.20786530216434047011E-02 .78196213197607512043E-03 .36788405936502882598E+00 .67203967631389793791E+00 -.49583782245003074976E-02 .38104686259953272041E-02 -.77187402643014017042E-03 .66811727184624698350E-04 .29106192113685300238E-04 -.19717127345019797025E+00 -.36351737899545755184E+00 .71205905815997172503E+00 .48226591278532776608E+00 -.74500718433327646831E-02 .43751354836442882951E-02 -.12787447271842109116E-02 0/ END FIT 1S 402.00 1S 221.46 1S 122.00 1S 74.21 2S 83.52 2S 56.87 3S 56.80 3S 41.06 4S 39.23 4S 29.47 5S 27.56 5S 21.28 6S 19.68 6S 15.51 7S 14.26 7S 11.43 8S 10.46 8S 8.50 9S 7.77 9S 6.38 10S 5.83 10S 4.83 10S 4.01 11S 3.66 11S 3.06 11S 2.56 11S 2.14 2P 101.25 3P 84.45 4P 69.16 5P 56.40 6P 46.05 6P 32.21 7P 26.38 7P 18.92 8P 15.56 8P 11.38 9P 9.40 9P 7.00 10P 5.80 10P 4.38 11P 3.65 11P 2.79 3D 84.70 4D 64.70 5D 49.59 6D 38.26 7D 29.74 7D 20.27 8D 15.87 8D 11.08 9D 8.73 9D 6.21 10D 4.93 10D 3.57 4F 70.25 5F 47.12 6F 32.20 7F 22.37 8F 15.77 9F 11.26 9F 7.27 10F 5.26 10F 3.47 5G 49.50 6G 33.80 7G 23.47 8G 16.54 8G 10.41 9G 7.43 9G 4.80 END FITCOEFFICIENTS 0 0 .197047112973939124E+04 -.122944769900732535E+04 -.208249811712049355E+06 .210190706922101992E+06 -.271229016056085424E+07 -.409695775090723066E+06 .917891080615735613E+07 -.858136655385307036E+06 -.103287740375293754E+08 .441397296740391664E+07 -.303558608868811105E+06 -.533759719918446353E+05 -.213636169164060091E+06 .103541827944962002E+06 -.388304066861182855E+04 .455207352495487430E+04 -.620478849422008238E+03 .125605433437855012E+03 -.121846563952331230E+02 .179367974204414060E+01 -.813469700510030536E-01 .883534574346717637E-02 -.160502638629393592E-03 .124674336046204887E-04 -.971340917497788749E-07 / END