# Stuttgart RLC ECP EMSL Basis Set Exchange Library 2/15/16 4:01 AM # Elements References # -------- ---------- # Li - Be: P. Fuentealba, H. Preuss, H. Stoll, L. v. Szentpaly, Chem. Phys. Lett. # Na 89, 418 (1982). # B - Ne: A. Bergner, M. Dolg, W. Kuechle, H. Stoll, H. Preuss, Mol. Phys. 80, # 1431 (1993). # Mg : P. Fuentealba, L. v. Szentpaly, H. Preuss, H. Stoll, J. Phys. B 18, # 1287 (1985). # Al : G. Igel-Mann, H. Stoll, H. Preuss, Mol. Phys. 65, 1321 (1988). # Hg - Rn: W. Kuechle, M. Dolg, H. Stoll, H. Preuss, Mol. Phys. 74, 1245 (1991). # Stuttgart_RLC_ECP Li nelec 2 Li ul 2 1.000000000 0.000000000 Li S 2 1.276000000 5.786000000 Li P 2 1.607000000 -1.065000000 Be nelec 2 Be ul 2 1.000000000 0.000000000 Be S 2 2.653000000 13.325000000 Be P 2 3.120000000 -1.574000000 B nelec 2 B ul 2 1.000000000 0.000000000 B S 2 4.506100000 23.992960000 B P 2 5.229500000 -1.766724000 B D 2 0.010800000 -0.001754000 C nelec 2 C ul 2 1.000000000 0.000000000 C S 2 6.401052000 33.121638000 C P 2 7.307747000 -1.986257000 C D 2 5.961796000 -9.454318000 N nelec 2 N ul 2 1.000000000 0.000000000 N S 2 7.977232000 38.533831000 N P 2 10.183854000 -2.550810000 N D 2 11.559947000 -2.995545000 O nelec 2 O ul 2 1.000000000 0.000000000 O S 2 10.445670000 50.771069000 O P 2 18.045174000 -4.903551000 O D 2 8.164798000 -3.312124000 F nelec 2 F ul 2 1.000000000 0.000000000 F S 2 22.350400000 102.597952000 2 11.175200000 19.049663000 F P 2 26.476800000 -15.143960000 2 13.238400000 2.802921000 F D 2 0.031600000 -0.001863000 Ne nelec 2 Ne ul 2 1.000000000 0.000000000 Ne S 2 31.860162000 112.525435660 2 12.362219000 28.300834540 Ne P 2 21.508034000 -11.126585430 2 12.910447000 3.387549190 Ne D 2 0.850385000 -0.184089210 Na nelec 10 Na ul 2 1.000000000 0.000000000 Na S 2 1.378000000 10.839000000 Na P 2 0.663900000 2.303000000 Na D 2 0.924900000 -1.777000000 Mg nelec 10 Mg ul 2 1.000000000 0.000000000 Mg S 2 1.732000000 14.676000000 Mg P 2 1.115000000 5.175700000 Mg D 2 1.203000000 -1.816000000 Al nelec 10 Al ul 2 1.000000000 0.000000000 Al S 2 2.198225000 20.409813000 Al P 2 1.601395000 8.980495000 Al D 2 1.499026000 -1.970411000 Si nelec 10 Si ul 2 1.000000000 0.000000000 Si S 2 2.713621970 26.623318650 Si P 2 1.966879870 10.929953910 Si D 2 2.710016000 -4.669412000 P nelec 10 P ul 2 1.000000000 0.000000000 P S 2 2.940559860 26.532261310 P P 2 2.227712550 11.497210210 P D 2 5.661706000 -16.772780000 S nelec 10 S ul 2 1.000000000 0.000000000 S S 2 3.743891640 37.974819000 S P 2 3.086087440 18.790529310 S D 2 4.862414000 -7.837964000 Cl nelec 10 Cl ul 2 1.000000000 0.000000000 Cl S 2 6.394300000 33.136632000 2 3.197100000 16.270728000 Cl P 2 5.620700000 24.416993000 2 2.810300000 7.683050000 Cl D 2 5.338100000 -8.587649000 Ar nelec 10 Ar ul 2 1.000000000 0.000000000 Ar S 2 10.261721000 68.667788010 2 3.952725000 24.042766290 Ar P 2 5.392714000 27.730763310 2 2.699967000 4.045459040 Ar D 2 8.086235000 -8.137476960 2 4.016632000 -1.664528080 Ar F 2 5.208459000 -3.400098450 K nelec 18 K ul 2 1.000000000 0.000000000 K S 2 0.853000000 13.564000000 K P 2 0.369600000 2.648000000 K D 2 0.663900000 -4.517000000 Ca nelec 18 Ca ul 2 1.000000000 0.000000000 Ca S 2 0.898000000 12.466000000 Ca P 2 0.548000000 5.146000000 Ca D 2 1.119000000 -7.709000000 Zn nelec 28 Zn ul 2 1.000000000 0.000000000 Zn S 2 1.500000000 14.936800000 2 0.750000000 -2.626600000 Zn P 2 1.500000000 11.432900000 2 0.750000000 -1.493900000 Zn D 2 0.750000000 1.169000000 2 0.375000000 0.370700000 Ga nelec 28 Ga ul 2 1.000000000 0.000000000 Ga S 2 5.215960000 203.853972000 Ga P 2 4.308904000 156.103390000 Ga D 2 0.496357000 1.031647000 Ga F 2 1.715170000 -10.673735000 Ge nelec 28 Ge ul 2 1.000000000 0.000000000 Ge S 2 4.815409000 149.246579000 Ge P 2 4.169515000 132.844335000 Ge D 2 0.591958000 1.346154000 Ge F 2 1.791770000 -7.044223000 As nelec 28 As ul 2 1.000000000 0.000000000 As S 2 3.612625000 53.965620000 As P 2 3.907926000 88.949088000 As D 2 1.926467000 22.420288000 As F 2 1.773434000 -4.704815000 Se nelec 28 Se ul 2 1.000000000 0.000000000 Se S 2 4.237057000 79.663345000 Se P 2 2.910334000 31.560993000 Se D 2 2.335701000 30.804610000 Se F 2 2.254639000 -6.546875000 Br nelec 28 Br ul 2 1.000000000 0.000000000 Br S 2 5.021800000 61.513721000 2 2.510900000 9.021493000 Br P 2 4.281400000 53.875864000 2 2.140700000 4.629402000 Br D 2 2.880000000 20.849677000 2 1.440000000 2.965444000 Br F 2 2.720700000 -8.161493000 Kr nelec 28 Kr ul 2 1.000000000 0.000000000 Kr S 2 5.877718000 73.915693900 2 3.084622000 16.168250800 Kr P 2 5.164110000 58.517691010 2 2.358302000 8.259100730 Kr D 2 3.215362000 33.458227760 2 1.285008000 0.677253310 Kr F 2 4.082869000 -15.158698590 2 1.193960000 -0.174088250 Kr G 2 3.180775000 -6.833158770 Rb nelec 36 Rb ul 2 1.000000000 0.000000000 Rb S 2 1.012000000 45.272000000 Rb P 2 0.303600000 2.830000000 Rb D 2 0.383800000 -1.975000000 Sr nelec 36 Sr ul 2 1.000000000 0.000000000 Sr S 2 0.796200000 15.387000000 Sr P 2 0.421200000 5.077000000 Sr D 2 0.492700000 -2.248000000 In nelec 46 In ul 2 1.000000000 0.000000000 In S 2 1.435091000 29.165219000 2 0.695805000 -4.190806000 In P 2 1.440832000 36.990542000 2 0.701392000 -3.365820000 In D 2 0.961236000 20.000531000 In F 2 0.884369000 -6.019092000 Sn nelec 46 Sn ul 2 1.000000000 0.000000000 Sn S 2 1.969725000 67.925347000 2 0.972375000 -7.478546000 Sn P 2 1.999210000 56.602880000 2 0.999042000 -2.161776000 Sn D 2 0.500361000 2.576336000 Sn F 2 1.230880000 -10.109253000 Sb nelec 46 Sb ul 2 1.000000000 0.000000000 Sb S 2 2.491091000 68.427938000 2 1.341575000 -4.398631000 Sb P 2 2.143864000 63.965469000 2 0.585503000 -0.578726000 Sb D 2 0.795401000 7.803661000 Sb F 2 1.609251000 -14.517687000 Te nelec 46 Te ul 2 1.000000000 0.000000000 Te S 2 2.923794000 50.083805000 2 1.152754000 1.968140000 Te P 2 2.603086000 119.820702000 2 0.985448000 -2.039048000 Te D 2 1.435019000 37.757214000 Te F 2 1.939270000 -17.864641000 I nelec 46 I ul 2 1.000000000 0.000000000 I S 2 3.51120000 83.11386300 2 1.75560000 5.20187600 I P 2 2.96880000 82.81110900 2 1.48440000 3.37968200 I D 2 1.90660000 10.30427700 2 0.95330000 7.58803200 I F 2 2.30750000 -21.47793600 Xe nelec 46 Xe ul 2 1.000000000 0.000000000 Xe S 2 3.940263000 122.763829340 2 2.277264000 8.308851150 Xe P 2 3.028373000 68.823004370 2 1.394319000 3.646742230 Xe D 2 2.122605000 23.652078540 2 0.798669000 3.258441130 Xe F 2 6.164360000 -47.703198760 2 1.542374000 -6.541139910 Xe G 2 1.847892000 -7.105850600 Cs nelec 54 Cs ul 2 1.000000000 0.000000000 Cs S 2 1.160000000 303.500000000 Cs P 2 0.244700000 2.930000000 Cs D 2 0.242700000 -1.138000000 Ba nelec 54 Ba ul 2 1.000000000 0.000000000 Ba S 2 0.635600000 16.710000000 Ba P 2 0.321400000 4.874000000 Ba D 2 0.240300000 -0.842700000 Hg nelec 78 Hg ul 2 1.000000000 0.000000000 Hg S 2 0.227210000 -0.696178000 2 1.657530000 27.758105000 2 10.000248000 48.780475000 Hg P 2 0.398377000 -2.735811000 2 0.647307000 8.575637000 Hg D 2 0.217999000 -0.013118000 2 0.386058000 2.792862000 Hg F 2 0.500000000 -2.635164000 Hg G 2 0.800756000 -13.393716000 Tl nelec 78 Tl ul 2 1.000000000 0.000000000 Tl S 2 0.326238000 -1.016498000 2 1.977541000 51.707959000 2 10.000000000 73.186683000 Tl P 2 0.543063000 -2.962673000 2 1.032140000 19.730431000 Tl D 2 0.354817000 2.772690000 2 0.709633000 -3.979439000 Tl F 2 0.689156000 -4.426786000 Tl G 2 0.820617000 -12.270540000 Pb nelec 78 Pb ul 2 1.000000000 0.000000000 Pb S 2 0.529161000 -1.873342000 2 1.456727000 20.860797000 2 9.999911000 97.587955000 Pb P 2 0.678119000 -7.768209000 2 1.249013000 51.719254000 Pb D 2 0.307446000 1.300760000 2 0.744930000 2.640822000 Pb F 2 0.848699000 -5.706056000 Pb G 2 0.999941000 -7.484184000 Bi nelec 78 Bi ul 2 1.000000000 0.000000000 Bi S 2 0.161152000 -0.161988000 2 1.509835000 14.031690000 2 10.000000000 122.047401000 Bi P 2 0.760490000 -6.188526000 2 1.426415000 51.045868000 Bi D 2 0.780226000 20.535804000 2 0.260075000 -0.136196000 Bi F 2 0.973608000 -6.414226000 Bi G 2 1.088195000 -6.656064000 Po nelec 78 Po ul 2 1.000000000 0.000000000 Po S 2 0.922386000 -4.159304000 2 1.781915000 33.830354000 2 10.000000000 146.339101000 Po P 2 0.724291000 -4.125311000 2 1.363860000 35.007078000 Po D 2 0.476979000 1.206518000 2 0.953957000 13.356125000 Po F 2 1.075454000 -6.775174000 Po G 2 1.122096000 -5.515441000 At nelec 78 At ul 2 1.000000000 0.000000000 At S 2 0.922386000 -5.528461000 2 1.781915000 39.568869000 2 10.000000000 170.711386000 At P 2 0.724291000 -2.295387000 2 1.363860000 25.492920000 At D 2 0.635972000 4.865107000 2 1.271943000 14.579413000 At F 2 1.154108000 -6.857867000 At G 2 1.345115000 -7.613039000 Rn nelec 78 Rn ul 2 1.000000000 0.000000000 Rn S 2 0.922386000 -5.019005000 2 1.781915000 37.036790000 2 10.804601000 195.103308000 Rn P 2 0.724291000 -1.966481000 2 1.363860000 23.464059000 Rn D 2 0.769400000 7.483457000 2 1.538800000 9.361900000 Rn F 2 1.213897000 -6.763150000 Rn G 2 1.576469000 -9.915662000 Ac nelec 78 Ac ul 2 1.000000000 0.000000000 Ac S 2 4.063653000 113.054397000 2 1.883995000 17.083233000 2 0.886567000 -2.666615000 Ac P 2 3.986181000 115.937655000 2 2.000160000 18.329978000 2 0.960841000 1.307434000 Ac D 2 4.147972000 60.863740000 2 2.234563000 29.382289000 2 0.913695000 6.969850000 Ac F 2 3.998938000 48.646071000 2 1.998840000 -29.410160000 2 0.995641000 2.553106000 Ac G 2 2.858599000 -25.140209000 2 0.887502000 -0.341970000 Th nelec 78 Th ul 2 1.000000000 0.000000000 Th S 2 4.063653000 113.326466000 2 1.883995000 15.663755000 2 0.886567000 -2.765902000 Th P 2 3.986181000 115.953483000 2 2.000160000 15.762190000 2 0.960841000 1.378850000 Th D 2 4.147972000 59.747811000 2 2.234563000 17.820683000 2 0.913695000 6.913661000 Th F 2 3.998938000 49.624378000 2 1.998840000 -26.641861000 2 0.995641000 1.762748000 Th G 2 3.166379000 -28.595941000 2 0.860105000 -0.309653000 Pa nelec 78 Pa ul 2 1.000000000 0.000000000 Pa S 2 4.063653000 113.294844000 2 1.883995000 15.513863000 2 0.886567000 -3.143943000 Pa P 2 3.986181000 115.895288000 2 2.000160000 15.486291000 2 0.960841000 0.976283000 Pa D 2 4.147972000 59.669213000 2 2.234563000 17.343726000 2 0.913695000 6.444698000 Pa F 2 3.998938000 51.677083000 2 1.998840000 -22.941290000 2 0.995641000 0.450258000 Pa G 2 3.480650000 -31.873318000 2 0.860105000 -0.311399000 U nelec 78 U ul 2 1.000000000 0.000000000 U S 2 4.063653000 112.920103000 2 1.883995000 15.647500000 2 0.886567000 -3.689971000 U P 2 3.986181000 118.758016000 2 2.000160000 15.077228000 2 0.960841000 0.556720000 U D 2 4.147972000 60.855892000 2 2.234563000 29.280047000 2 0.913695000 4.998029000 U F 2 3.998938000 49.924035000 2 1.998840000 -24.674042000 2 0.995641000 1.389480000 U G 2 3.817422000 -36.040977000 2 0.262501000 -0.090511000 Np nelec 78 Np ul 2 1.000000000 0.000000000 Np S 2 4.063653000 112.934860000 2 1.883995000 15.549432000 2 0.886567000 -4.135857000 Np P 2 3.986181000 118.823594000 2 2.000160000 15.280487000 2 0.960841000 0.023696000 Np D 2 4.147972000 60.813401000 2 2.234563000 28.992308000 2 0.913695000 4.444990000 Np F 2 3.998938000 49.540431000 2 1.998840000 -25.566757000 2 0.995641000 1.888886000 Np G 2 4.201531000 -39.834114000 2 0.345078000 -0.141655000 Pu nelec 78 Pu ul 2 1.000000000 0.000000000 Pu S 2 4.063653000 113.806678000 2 1.883995000 16.000761000 2 0.886567000 -4.839949000 Pu P 2 3.986181000 118.769014000 2 2.000160000 15.005465000 2 0.960841000 -0.445820000 Pu D 2 4.147972000 60.838015000 2 2.234563000 29.140991000 2 0.913695000 3.925573000 Pu F 2 3.998938000 49.578334000 2 1.998840000 -25.370992000 2 0.995641000 1.929965000 Pu G 2 3.479904000 -32.535111000 2 0.163718000 0.235917000 Am nelec 78 Am ul 2 1.000000000 0.000000000 Am S 2 4.063653000 153.797169000 2 1.883995000 -10.639855000 2 0.886567000 1.270709000 Am P 2 3.986181000 118.779064000 2 2.000160000 14.955696000 2 0.960841000 -1.046280000 Am D 2 4.147972000 60.833778000 2 2.234563000 29.099489000 2 0.913695000 3.333610000 Am F 2 3.998938000 48.971137000 2 1.998840000 -26.595854000 2 0.995641000 2.477384000 Am G 2 3.940205000 -37.955572000 2 0.174609000 0.249659000 Cm nelec 78 Cm ul 2 1.000000000 0.000000000 Cm S 2 4.063653000 253.671746000 2 1.883995000 -11.652159000 2 0.886567000 -3.396770000 Cm P 2 3.986181000 118.740486000 2 2.000160000 14.871570000 2 0.960841000 -1.176509000 Cm D 2 4.147972000 60.901023000 2 2.234563000 29.500385000 2 0.913695000 3.206729000 Cm F 2 3.998938000 47.234614000 2 1.998840000 -28.715453000 2 0.995641000 3.783521000 Cm G 2 4.082153000 -39.543894000 2 0.274182000 0.430726000 Bk nelec 78 Bk ul 2 1.000000000 0.000000000 Bk S 2 4.063653000 203.637829000 2 1.883995000 -11.667761000 2 0.886567000 -2.227776000 Bk P 2 3.986181000 118.715410000 2 2.000160000 14.614616000 2 0.960841000 -2.062679000 Bk D 2 4.147972000 60.829711000 2 2.234563000 29.058027000 2 0.913695000 2.631080000 Bk F 2 3.998938000 49.018886000 2 1.998840000 -26.010171000 2 0.995641000 2.509418000 Bk G 2 4.546792000 -44.641695000 2 0.295253000 0.440153000 Cf nelec 78 Cf ul 2 1.000000000 0.000000000 Cf S 2 4.063653000 263.527609000 2 1.883995000 -12.595167000 2 0.886567000 -5.520887000 Cf P 2 3.986181000 118.668910000 2 2.000160000 14.422696000 2 0.960841000 -2.426644000 Cf D 2 4.147972000 60.818653000 2 2.234563000 28.989469000 2 0.913695000 2.266591000 Cf F 2 3.998938000 48.415376000 2 1.998840000 -26.421916000 2 0.995641000 2.891692000 Cf G 2 5.232491000 -52.587008000 2 0.243751000 0.352044000 Es nelec 78 Es ul 2 1.000000000 0.000000000 Es S 2 4.063653000 253.521830000 2 1.883995000 -12.758501000 2 0.886567000 -5.800753000 Es P 2 3.986181000 118.674152000 2 2.000160000 14.342959000 2 0.960841000 -2.994427000 Es D 2 4.147972000 60.844869000 2 2.234563000 29.123412000 2 0.913695000 1.811065000 Es F 2 3.998938000 48.232791000 2 1.998840000 -27.287675000 2 0.995641000 3.320396000 Es G 2 5.674539000 -57.407820000 2 0.271730000 0.393800000 Fm nelec 78 Fm ul 2 1.000000000 0.000000000 Fm S 2 4.063653000 253.476841000 2 1.883995000 -12.920523000 2 0.886567000 -6.591056000 Fm P 2 3.986181000 118.706857000 2 2.000160000 14.360631000 2 0.960841000 -3.663087000 Fm D 2 4.147972000 60.816163000 2 2.234563000 28.945955000 2 0.913695000 1.400804000 Fm F 2 3.998938000 47.932397000 2 1.998840000 -27.413196000 2 0.995641000 3.464577000 Fm G 2 6.119053000 -62.126836000 2 0.303551000 0.439572000 Md nelec 78 Md ul 2 1.000000000 0.000000000 Md S 2 4.063653000 303.343129000 2 1.883995000 -13.768663000 2 0.886567000 -9.545129000 Md P 2 3.986181000 118.596770000 2 2.000160000 13.973068000 2 0.960841000 -4.303232000 Md D 2 4.147972000 60.831769000 2 2.234563000 29.009879000 2 0.913695000 0.983959000 Md F 2 3.998938000 47.922929000 2 1.998840000 -27.025078000 2 0.995641000 3.386758000 Md G 2 6.582119000 -67.006765000 2 0.334542000 0.486220000 No nelec 78 No ul 2 1.000000000 0.000000000 No S 2 4.063653000 303.281335000 2 1.883995000 -14.016624000 2 0.886567000 -9.935065000 No P 2 3.986181000 118.532926000 2 2.000160000 13.754070000 END Stuttgart_RLC_ECP # Stuttgart RSC 1997 ECP EMSL Basis Set Exchange Library 2/15/16 4:15 AM # ELEMENTS REFERENCES # --------- ---------- # Stuttgart_RSC_ECP K nelec 10 K ul 2 1.000000000 0.000000000 K S 2 6.843807000 92.252639000 K P 2 4.217857000 23.498035000 K D 2 6.497537000 -7.315420000 K F 2 6.123613000 -3.858320000 Ca nelec 10 Ca ul 2 1.000000000 0.000000000 Ca S 2 11.231672000 138.785174000 2 4.671960000 16.504244000 Ca P 2 11.156907000 83.123664000 2 4.810141000 13.502272000 Ca D 2 13.754728000 -16.201965000 2 4.762470000 -1.132390000 Ca F 2 12.765846000 -26.728178000 Sc nelec 10 Sc ul 2 1.000000000 0.000000000 Sc S 2 11.500000000 138.538152000 2 5.184000000 14.834042000 Sc P 2 10.930000000 82.458614000 2 4.581000000 8.565206000 Sc D 2 13.470000000 -16.129862000 2 4.375000000 -0.534690000 Ti nelec 10 Ti ul 2 1.000000000 0.000000000 Ti S 2 13.010000000 158.241593000 2 5.862000000 17.511824000 Ti P 2 12.460000000 95.235127000 2 5.217000000 10.047856000 Ti D 2 15.350000000 -17.568861000 2 4.980000000 -0.587256000 V nelec 10 V ul 2 1.000000000 0.000000000 V S 2 14.490000000 178.447971000 2 6.524000000 19.831375000 V P 2 14.300000000 109.529763000 2 6.021000000 12.570310000 V D 2 17.480000000 -19.219657000 2 5.709000000 -0.642775000 Cr nelec 10 Cr ul 2 1.000000000 0.000000000 Cr S 2 16.390000000 201.578887000 2 7.402000000 24.205741000 Cr P 2 16.450000000 125.022774000 2 6.962000000 16.479066000 Cr D 2 19.930000000 -20.827421000 2 6.598000000 -0.834368000 Mn nelec 10 Mn ul 2 1.000000000 0.000000000 Mn S 2 18.520000000 226.430902000 2 8.373000000 30.359072000 Mn P 2 18.920000000 142.154705000 2 8.017000000 21.536509000 Mn D 2 22.720000000 -22.568119000 2 7.640000000 -1.205810000 Fe nelec 10 Fe ul 2 1.000000000 0.000000000 Fe S 2 20.930000000 253.749588000 2 9.445000000 37.922845000 Fe P 2 21.760000000 161.036812000 2 9.178000000 27.651298000 Fe D 2 25.900000000 -24.431276000 2 8.835000000 -1.434251000 Co nelec 10 Co ul 2 1.000000000 0.000000000 Co S 2 23.660000000 283.960566000 2 10.610000000 47.156846000 Co P 2 25.040000000 182.212236000 2 10.440000000 35.233352000 Co D 2 29.540000000 -26.475333000 2 10.180000000 -1.825787000 Ni nelec 10 Ni ul 2 1.000000000 0.000000000 Ni S 2 26.740000000 317.682272000 2 11.860000000 58.255391000 Ni P 2 28.800000000 252.474366000 2 11.790000000 36.081503000 Ni D 2 33.700000000 -18.522955000 2 11.660000000 -4.557668000 Cu nelec 10 Cu ul 2 1.000000000 0.000000000 Cu S 2 30.220000000 355.770158000 2 13.190000000 70.865357000 Cu P 2 33.130000000 233.891976000 2 13.220000000 53.947299000 Cu D 2 38.420000000 -31.272165000 2 13.260000000 -2.741104000 Zn nelec 10 Zn ul 2 1.000000000 0.000000000 Zn S 2 34.150000000 399.987282000 2 14.590000000 85.485655000 Zn P 2 39.780000000 277.148960000 2 14.950000000 69.052205000 Zn D 2 43.800000000 -34.149349000 2 14.980000000 -3.291831000 Rb nelec 28 Rb ul 2 1.000000000 0.000000000 Rb S 2 5.036551810 89.500198220 2 1.970849630 0.493761980 Rb P 2 4.258341190 58.568974920 2 1.470709610 0.431791080 Rb D 2 3.023127740 26.224898090 2 0.650383460 0.962839500 Rb F 2 3.843114710 -12.316900650 Sr nelec 28 Sr ul 2 1.000000000 0.000000000 Sr S 2 7.400074000 135.479430000 2 3.606379000 17.534463000 Sr P 2 6.484868000 88.359709000 2 3.288053000 15.394372000 Sr D 2 4.622841000 29.888987000 2 2.246904000 6.659414000 Sr F 2 4.633975000 -15.805992000 Y nelec 28 Y ul 2 1.000000000 0.000000000 Y S 2 7.488049000 135.153844000 2 3.744025000 15.552441000 Y P 2 6.445377000 87.784992000 2 3.222689000 11.564066000 Y D 2 4.658447000 29.701001000 2 2.329224000 5.539968000 Y F 2 6.584212000 -19.122198000 2 3.292106000 -2.436375000 Zr nelec 28 Zr ul 2 1.000000000 0.000000000 Zr S 2 8.200000000 150.267591000 2 4.089728000 18.976216000 Zr P 2 7.110000000 99.622124000 2 3.596798000 14.168733000 Zr D 2 5.350000000 35.045124000 2 2.491821000 6.111259000 Zr F 2 7.540000000 -21.093776000 2 3.770000000 -3.080694000 Nb nelec 28 Nb ul 2 1.000000000 0.000000000 Nb S 2 8.900000000 165.179143000 2 4.430000000 21.992974000 Nb P 2 7.770000000 111.794414000 2 3.960000000 16.633483000 Nb D 2 6.050000000 38.112249000 2 2.840000000 8.039167000 Nb F 2 8.490000000 -22.929550000 2 4.250000000 -3.666310000 Mo nelec 28 Mo ul 2 1.000000000 0.000000000 Mo S 2 9.714594000 180.103108000 2 4.680500000 24.997228000 Mo P 2 8.142137000 123.772752000 2 4.625986000 19.530228000 Mo D 2 6.618415000 48.375022000 2 3.248752000 8.892053000 Mo F 2 9.450000000 -24.805177000 2 4.720000000 -4.153782000 Tc nelec 28 Tc ul 2 1.000000000 0.000000000 Tc S 2 10.422346000 195.159166000 2 5.036516000 28.092603000 Tc P 2 8.950449000 135.284566000 2 4.854439000 21.806504000 Tc D 2 6.945697000 54.329729000 2 3.970585000 11.155068000 Tc F 2 10.400000000 -26.562447000 2 5.200000000 -4.585681000 Ru nelec 28 Ru ul 2 1.000000000 0.000000000 Ru S 2 11.105269000 209.822971000 2 5.414745000 30.654726000 Ru P 2 9.771271000 146.336182000 2 5.073991000 24.127877000 Ru D 2 7.671423000 67.515897000 2 4.136565000 9.870104000 Ru F 2 11.360000000 -28.340616000 2 5.680000000 -4.944629000 Rh nelec 28 Rh ul 2 1.000000000 0.000000000 Rh S 2 11.720000000 225.347754000 2 5.820000000 32.823189000 Rh P 2 10.420000000 158.709412000 2 5.450000000 26.444100000 Rh D 2 8.820000000 62.758626000 2 3.870000000 10.978719000 Rh F 2 12.310000000 -30.093456000 2 6.160000000 -5.218482000 Pd nelec 28 Pd ul 2 1.000000000 0.000000000 Pd S 2 12.430000000 240.229040000 2 6.170759000 35.171943000 Pd P 2 11.080000000 170.417276000 2 5.829554000 28.472133000 Pd D 2 9.510000000 69.013845000 2 4.139781000 11.750862000 Pd F 2 13.270000000 -31.929554000 2 6.630000000 -5.398217000 Ag nelec 28 Ag ul 2 1.000000000 0.000000000 Ag S 2 13.130000000 255.139365000 2 6.510000000 36.866122000 Ag P 2 11.740000000 182.181869000 2 6.200000000 30.357751000 Ag D 2 10.210000000 73.719261000 2 4.380000000 12.502117000 Ag F 2 14.220000000 -33.689920000 2 7.110000000 -5.531120000 Cd nelec 28 Cd ul 2 1.000000000 0.000000000 Cd S 2 13.835869000 270.009483000 2 6.857270000 38.767308000 Cd P 2 12.404971000 193.829629000 2 6.567799000 31.896525000 Cd D 2 10.896925000 79.193647000 2 4.641165000 13.230827000 Cd F 2 15.184796000 -35.476626000 2 7.592398000 -5.617677000 Cs nelec 46 Cs ul 2 1.000000000 0.000000000 Cs S 2 4.079750660 84.547730620 2 2.417406350 16.654173950 Cs P 2 5.514080160 157.049059390 2 2.160316820 26.423307040 Cs D 2 1.807410000 13.172753810 2 0.858182230 3.342833980 Cs F 2 3.123269060 -28.884309170 Ba nelec 46 Ba ul 2 1.000000000 0.000000000 Ba S 2 9.526986000 427.845816000 2 4.487510000 204.417530000 Ba P 2 8.315930000 293.605864000 2 4.292217000 294.193316000 Ba D 2 5.916108000 112.550402000 2 2.874842000 181.782621000 Ba F 2 3.589465000 -33.473174000 La nelec 28 La ul 2 1.000000000 0.000000000 La S 2 19.441418000 585.201953000 La P 2 16.016353000 330.109510000 La D 2 15.128259000 186.058232000 La F 2 23.103875000 -49.433352000 La G 2 15.639020000 -20.123020000 Ce nelec 28 Ce ul 2 1.000000000 0.000000000 Ce S 2 20.137829000 580.083457000 Ce P 2 15.998482000 310.302833000 Ce D 2 14.974187000 167.813944000 Ce F 2 23.402455000 -49.390229000 Ce G 2 16.570553000 -21.331879000 Pr nelec 28 Pr ul 2 1.000000000 0.000000000 Pr S 2 20.766278000 577.573122000 Pr P 2 16.078448000 295.785846000 Pr D 2 14.705089000 150.867055000 Pr F 2 23.378969000 -48.736766000 Pr G 2 17.447138000 -22.329488000 Nd nelec 28 Nd ul 2 1.000000000 0.000000000 Nd S 2 21.352267000 574.370980000 Nd P 2 16.119265000 280.946440000 Nd D 2 14.494103000 138.670627000 Nd F 2 23.183860000 -47.522668000 Nd G 2 18.344174000 -23.344587000 Pm nelec 28 Pm ul 2 1.000000000 0.000000000 Pm S 2 21.942865000 575.395749000 Pm P 2 16.555161000 281.704514000 Pm D 2 13.960308000 123.524737000 Pm F 2 24.033546000 -50.741511000 Pm G 2 19.260245000 -24.372510000 Sm nelec 28 Sm ul 2 1.000000000 0.000000000 Sm S 2 22.344471000 572.985332000 Sm P 2 16.694590000 272.359145000 Sm D 2 13.727705000 115.293900000 Sm F 2 24.059092000 -51.108392000 Sm G 2 20.197249000 -25.421885000 Eu nelec 28 Eu ul 2 1.000000000 0.000000000 Eu S 2 23.471384000 607.659331000 Eu P 2 16.772479000 264.385476000 Eu D 2 13.981343000 115.381375000 Eu F 2 23.962888000 -49.400794000 Eu G 2 21.232458000 -26.748273000 Gd nelec 28 Gd ul 2 1.000000000 0.000000000 Gd S 2 24.602151000 637.200869000 Gd P 2 16.889250000 261.689601000 Gd D 2 13.643358000 106.856533000 Gd F 2 24.126917000 -50.683590000 Gd G 2 22.131887000 -27.579630000 Tb nelec 28 Tb ul 2 1.000000000 0.000000000 Tb S 2 24.952956000 668.597155000 Tb P 2 17.610899000 266.980475000 Tb D 2 12.976009000 97.506596000 Tb F 2 24.248869000 -52.175757000 Tb G 2 23.130672000 -28.694268000 Dy nelec 28 Dy ul 2 1.000000000 0.000000000 Dy S 2 26.429586000 705.671221000 Dy P 2 17.317034000 254.866989000 Dy D 2 12.913599000 95.045187000 Dy F 2 24.907878000 -54.574093000 Dy G 2 24.148753000 -29.828277000 Ho nelec 28 Ho ul 2 1.000000000 0.000000000 Ho S 2 28.397257000 755.703136000 Ho P 2 17.438633000 253.551998000 Ho D 2 12.434212000 89.635677000 Ho F 2 25.387010000 -55.482036000 Ho G 2 25.188501000 -30.991125000 Er nelec 28 Er ul 2 1.000000000 0.000000000 Er S 2 29.798592000 800.952876000 Er P 2 18.114237000 262.019869000 Er D 2 11.369587000 80.170552000 Er F 2 21.821233000 -42.336285000 Er G 2 26.250735000 -32.185278000 Tm nelec 28 Tm ul 2 1.000000000 0.000000000 Tm S 2 31.144122000 845.510743000 Tm P 2 18.092353000 258.585239000 Tm D 2 11.469159000 80.729059000 Tm F 2 23.605544000 -48.701266000 Tm G 2 27.329781000 -33.395496000 Yb nelec 28 Yb ul 2 1.000000000 0.000000000 Yb S 2 32.424484000 891.013777000 Yb P 2 18.656232000 264.036953000 Yb D 2 10.490222000 73.923919000 Yb F 2 20.774183000 -39.592173000 Yb G 2 28.431028000 -34.638638000 Lu nelec 28 Lu ul 2 1.000000000 0.000000000 Lu S 2 35.162097000 989.995584000 Lu P 2 19.464402000 278.865652000 Lu D 2 10.006865000 71.009178000 Lu F 2 23.517932000 -47.405890000 Lu G 2 29.412238000 -35.557146000 Hf nelec 60 Hf ul 2 1.000000000 0.000000000 Hf S 2 14.769959000 1499.284711000 2 7.384979000 40.282101000 Hf P 2 9.849490000 397.733005000 2 4.924745000 19.316406000 Hf D 2 6.096756000 101.329805000 2 3.048378000 5.873438000 Hf F 2 1.785770000 10.046723000 Hf G 2 2.632400000 -9.558244000 Ta nelec 60 Ta ul 2 1.000000000 0.000000000 Ta S 2 14.546408000 1345.880647000 2 7.273204000 36.766806000 Ta P 2 9.935565000 378.425301000 2 4.967782000 22.293091000 Ta D 2 6.347377000 104.883956000 2 3.173688000 8.755848000 Ta F 2 2.017881000 12.017961000 Ta G 2 3.040330000 -11.728933000 W nelec 60 W ul 2 1.000000000 0.000000000 W S 2 14.322856000 1192.395882000 2 7.161428000 32.522933000 W P 2 10.021641000 359.031967000 2 5.010820000 24.030380000 W D 2 6.597997000 108.301349000 2 3.298999000 10.982528000 W F 2 2.258888000 14.152579000 W G 2 3.464110000 -14.056435000 Re nelec 60 Re ul 2 1.000000000 0.000000000 Re S 2 14.099305000 1038.951572000 2 7.049653000 29.561738000 Re P 2 10.107717000 339.543510000 2 5.053858000 24.913696000 Re D 2 6.848618000 111.699653000 2 3.424309000 12.624329000 Re F 2 2.508651000 16.449852000 Re G 2 3.901245000 -16.501120000 Os nelec 60 Os ul 2 1.000000000 0.000000000 Os S 2 13.875754000 885.405719000 2 6.937877000 25.967040000 Os P 2 10.193793000 320.083902000 2 5.096896000 26.148765000 Os D 2 7.099238000 115.044843000 2 3.549619000 13.622575000 Os F 2 2.767075000 18.909457000 Os G 2 4.349905000 -19.027595000 Ir nelec 60 Ir ul 2 1.000000000 0.000000000 Ir S 2 13.652203000 732.269200000 2 6.826101000 26.484721000 Ir P 2 10.279868000 299.489474000 2 5.139934000 26.466234000 Ir D 2 7.349859000 124.457595000 2 3.674929000 14.035995000 Ir F 2 3.034072000 21.531031000 Ir G 2 4.808857000 -21.607597000 Pt nelec 60 Pt ul 2 1.000000000 0.000000000 Pt S 2 13.428651000 579.223861000 2 6.714326000 29.669491000 Pt P 2 10.365944000 280.860774000 2 5.182972000 26.745382000 Pt D 2 7.600479000 120.396444000 2 3.800240000 15.810921000 Pt F 2 3.309569000 24.314376000 Pt G 2 5.277289000 -24.218675000 Au nelec 60 Au ul 2 1.000000000 0.000000000 Au S 2 13.205100000 426.709840000 2 6.602550000 35.938824000 Au P 2 10.452020000 261.161023000 2 5.226010000 26.626284000 Au D 2 7.851100000 124.756831000 2 3.925550000 15.772260000 Au F 2 4.789800000 30.568475000 2 2.394910000 5.183774000 Hg nelec 60 Hg ul 2 1.000000000 0.000000000 Hg S 2 12.981549000 274.532169000 2 6.490774000 49.182192000 Hg P 2 10.538096000 237.395770000 2 5.269048000 28.121584000 Hg D 2 8.101721000 114.252034000 2 4.050860000 18.495638000 Hg F 2 3.885791000 30.364996000 Hg G 2 6.241000000 -29.473118000 Ac nelec 60 Ac ul 2 1.000000000 0.000000000 Ac S 2 14.651879510 476.146921920 Ac P 2 9.180346000 185.895520680 Ac D 2 9.523163670 204.176034730 Ac F 2 7.594209620 100.818254740 Ac G 2 11.027732330 -51.615241810 Th nelec 60 Th ul 2 1.000000000 0.000000000 Th S 2 14.776424130 455.055967630 Th P 2 9.083184340 177.691790700 Th D 2 9.653857710 197.232705110 Th F 2 7.380765890 82.908727230 Th G 2 11.609024620 -55.126419060 Pa nelec 60 Pa ul 2 1.000000000 0.000000000 Pa S 2 15.269173670 475.475732830 Pa P 2 9.957736990 207.664859620 Pa D 2 8.943141260 156.674119880 Pa F 2 7.010466620 67.982236850 Pa G 2 12.201056010 -57.630599890 U nelec 60 U ul 2 1.000000000 0.000000000 U S 2 16.414038690 536.516627780 U P 2 9.060556060 169.544924650 U D 2 8.831831980 142.615598370 U F 2 7.018516290 60.393076020 U G 2 12.804088440 -60.129989580 Np nelec 60 Np ul 2 1.000000000 0.000000000 Np S 2 16.771947700 541.538538510 Np P 2 9.783552770 191.084571370 Np D 2 9.034226600 146.402589230 Np F 2 7.121848270 60.394333140 Np G 2 13.418322530 -62.626185080 Pu nelec 60 Pu ul 2 1.000000000 0.000000000 Pu S 2 18.559689160 662.756241980 Pu P 2 9.473516970 179.415289790 Pu D 2 9.030690650 139.705912170 Pu F 2 7.138797790 56.045909140 Pu G 2 14.043996550 -65.121216110 Am nelec 60 Am ul 2 1.000000000 0.000000000 Am S 2 19.130096480 672.426908480 Am P 2 9.559142070 180.983630040 Am D 2 9.161266170 139.037563890 Am F 2 7.035754630 51.273553140 Am G 2 14.681332890 -67.616942080 Cm nelec 60 Cm ul 2 1.000000000 0.000000000 Cm S 2 19.250346340 648.910581920 Cm P 2 9.745660410 185.646637940 Cm D 2 9.267023140 137.840261760 Cm F 2 7.063714120 48.180996360 Cm G 2 15.330525650 -70.114975500 Bk nelec 60 Bk ul 2 1.000000000 0.000000000 Bk S 2 20.285376100 696.475122200 Bk P 2 9.868396470 188.760265720 Bk D 2 8.916557400 124.935835850 Bk F 2 7.025003140 45.216507780 Bk G 2 15.991805280 -72.617188800 Cf nelec 60 Cf ul 2 1.000000000 0.000000000 Cf S 2 22.271632010 823.746576430 Cf P 2 8.800799150 173.070439520 Cf D 2 9.311157460 125.568751160 Cf F 2 6.629577840 34.952596230 Cf G 2 16.665369730 -75.125254930 Es nelec 60 Es ul 2 1.000000000 0.000000000 Es S 2 25.239434420 1109.052533710 Es P 2 8.574504400 175.318777240 Es D 2 9.454607300 124.586814140 Es F 2 6.273390510 29.551927080 Es G 2 17.351456180 -77.641074780 Fm nelec 60 Fm ul 2 1.000000000 0.000000000 Fm S 2 26.499713560 1201.222799830 Fm P 2 8.455091350 179.580219040 Fm D 2 9.526110520 122.515303860 Fm F 2 6.483649250 29.499639600 Fm G 2 18.050160510 -80.165201550 Md nelec 60 Md ul 2 1.000000000 0.000000000 Md S 2 26.257029410 1099.410318340 Md P 2 9.144677440 192.251427770 Md D 2 9.769849780 129.191583910 Md F 2 6.967531400 34.329321330 Md G 2 18.761791720 -82.700152850 No nelec 60 No ul 2 1.000000000 0.000000000 No S 2 26.788774340 1099.412551140 No P 2 9.671941890 203.319049710 No D 2 9.659545370 127.627445570 No F 2 6.604736470 31.661862790 No G 2 19.486525440 -85.247367410 Lr nelec 60 Lr ul 2 1.000000000 0.000000000 Lr S 2 41.623097500 4933.050204350 Lr P 2 9.667011760 208.559352320 Lr D 2 8.455596010 105.298950960 Lr F 2 7.391012310 36.225703620 Lr G 2 20.224533420 -87.807982520 Db nelec 92 Db ul 2 1.000000000 0.000000000 Db S 2 8.252941000 480.701749000 2 1.385043000 -4.739321000 Db P 2 6.458686000 479.457713000 2 0.950908000 -1.977112000 Db D 2 4.100064000 237.725780000 2 1.265763000 -2.667652000 Db F 2 1.584504000 20.739531000 END Stuttgart_RSC_ECP # Stuttgart-Koeln MCDHF RSC ECP EMSL Basis Set Exchange Library 2/15/16 4:19 AM # ELEMENTS REFERENCES # --------- ---------- # O: B. Metz and H. Stoll, private communication (KAP) # Tl: B. Metz, M. Schweizer, H. Stoll, M. Dolg, W. Liu, Theor. Chem. Acc. 104, 22 (2000). # Ga-As, In-Sb, Pb-Bi: B. Metz, H. Stoll, M. Dolg, J. Chem. Phys. 113, 2563 (2000). # Se-Kr, Te-Xe, Po-Rn: K.A. Peterson, D. Figgen, E. Goll, H. Stoll, and M. Dolg, J. Chem. Phys., in press (2003). # Cu, Zn, Ag, Cd, Au, Hg: D. Figgen, G. Rauhut, M. Dolg, and H. Stoll, Chem. Phys. 311, 227 (2005). # Y Zr Nb Mo Tc Ru Rh Pd : K.A. Peterson, D. Figgen, M. Dolg, H. Stoll, Energy-consistent relativistic pseudopotentials and correlation consistent basis sets for the 4d elements Y-Pd, Journal of Chemical Physics 126, 124101 (2007). # I: K. A. Peterson, B. C. Shepler, D. Figgen, H. Stoll, On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions, Journal of Physical Chemistry A 110, 13877 (2006). # Hf Ta W Re Os Ir Pt: D. Figgen, K.A. Peterson, M. Dolg, and H. Stoll, Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt, Journal of Chemical Physics 130, 164108 (2009). # Stuttgart_MCDHF_RSC_ECP Cu nelec 10 Cu ul 2 1.0000000 0.0000000 Cu S 2 30.1105430 355.7505120 2 13.0763100 70.9309060 Cu P 2 32.6926140 77.9699310 2 32.7703390 155.9274480 2 13.7510670 18.0211320 2 13.3221660 36.0943720 Cu D 2 38.9965110 -12.3434100 2 39.5397880 -18.2733620 2 12.2875110 -0.9847050 2 11.4593000 -1.3187470 Cu F 2 6.1901020 -0.2272640 2 8.1187800 -0.4687730 Zn nelec 10 Zn ul 2 1.0000000 0.0000000 Zn S 2 34.1740010 399.9863990 2 14.4563710 85.4897500 Zn P 2 39.8886830 92.3810770 2 39.6550170 184.7711760 2 15.2905460 23.0025410 2 14.9035240 46.0574270 Zn D 2 43.7082960 -13.6907340 2 43.6985360 -20.5439800 2 15.1507180 -1.3161540 2 15.2824410 -1.8387150 Zn F 2 8.1600140 -0.3703600 2 12.2284220 -1.0629430 Ga nelec 10 Ga ul 2 1.0000000 0.0000000 Ga S 2 25.8803610 370.2730400 2 7.9012950 9.1906150 Ga P 2 45.1491900 99.1440010 2 44.9799810 198.2955120 2 17.2242510 28.4456530 2 16.7473290 56.9497050 Ga D 2 51.9688120 -18.1687970 2 51.6291170 -27.3802730 2 15.2417380 -1.5870220 2 15.3201930 -2.5162920 2 4.9185890 0.0831660 2 4.7551030 0.2021980 Ga F 2 10.7622630 -0.6169900 2 19.8529390 -3.1385840 Ge nelec 10 Ge ul 2 1.0000000 0.0000000 Ge S 2 27.2422250 370.2360900 2 7.4679480 9.2146290 Ge P 2 45.5679910 99.1350340 2 45.5175050 198.2714540 2 18.2457690 28.3881210 2 17.6510780 56.8034710 Ge D 2 52.7605980 -17.9670850 2 53.1366630 -26.8155390 2 14.5640790 -1.3838930 2 12.6318570 -2.0726630 2 3.9230420 0.0803340 2 3.7387740 0.2385290 Ge F 2 11.4073780 -0.7056800 2 18.4290540 -2.4759510 As nelec 10 As ul 2 1.0000000 0.0000000 As S 2 28.7251220 370.1140250 2 6.7676810 9.3492960 As P 2 45.3310640 99.1421030 2 44.7674150 198.3078800 2 19.5390900 28.3830730 2 18.9734710 56.8714640 As D 2 51.0571520 -18.4851450 2 50.1513400 -28.1135300 2 16.1089360 -1.2238950 2 14.6722230 -1.3457650 2 3.8519270 0.1017570 2 3.8135020 0.1703380 As F 2 11.9405840 -0.7752300 2 17.7611600 -2.1572590 Se nelec 10 Se ul 2 1.0000000 0.0000000 Se S 2 30.0469900 370.1228880 2 6.9186880 10.4561680 Se P 2 45.7730140 99.1350590 2 45.2946420 198.2924830 2 20.7396480 28.3387470 2 20.0286010 56.7497470 Se D 2 50.9417680 -18.5265560 2 49.5947400 -28.3349210 2 16.3235220 -0.6960890 2 14.4651960 -1.1678910 2 3.7753300 0.0414430 2 3.5019530 0.2355830 Se F 2 11.9508670 -0.7662620 2 17.8107800 -2.1027420 Br nelec 10 Br ul 2 1.0000000 0.0000000 Br S 2 70.0242570 49.9628340 2 31.1784120 370.0142050 2 7.1565930 10.2414390 Br P 2 46.7734710 99.1122440 2 46.1841200 198.2530460 2 21.7138580 28.2617400 2 20.9417920 56.6233660 Br D 2 50.6988390 -18.6058530 2 50.6447640 -27.9232800 2 15.4475090 -0.3796930 2 15.5002590 -0.7805830 2 2.8003910 0.0359680 2 1.0774800 0.0943970 Br F 2 14.4656060 -1.0912690 2 21.2340650 -2.8876910 Kr nelec 10 Kr ul 2 1.0000000 0.0000000 Kr S 2 70.0344100 49.9538350 2 31.8959710 369.9782380 2 7.3537280 10.0545440 Kr P 2 47.2651830 99.1018330 2 46.6642680 198.2325240 2 23.0081330 28.2046700 2 22.1009790 56.5167920 Kr D 2 50.7681650 -18.5888770 2 50.7822280 -27.8753980 2 15.4794970 -0.2934110 2 15.5593830 -0.4693990 2 2.8771540 0.0688810 2 1.9911960 0.1322700 Kr F 2 15.4375670 -1.2233890 2 22.0557420 -2.9912330 Y nelec 28 Y ul 2 1.0000000 0.0000000 Y S 2 7.85827500 135.13497400 2 3.38212800 15.41163200 Y P 2 6.84979100 29.25143700 2 6.71009200 58.50836300 2 3.04215900 3.78024300 2 2.93733000 7.67654700 Y D 2 5.41631500 11.84991100 2 5.33341600 17.77810300 2 1.97621200 2.06238300 2 1.96111100 3.07565000 Y F 2 5.02859000 -6.92807800 2 5.00558200 -9.15509900 Zr nelec 28 Zr ul 2 1.0000000 0.0000000 Zr S 2 8.63652800 150.24299400 2 3.71763900 18.78003600 Zr P 2 7.62672800 33.19279100 2 7.45320700 66.38903900 2 3.35838900 4.62072600 2 3.22973800 9.26027000 Zr D 2 5.93808600 13.99338300 2 5.82554400 20.99588200 2 2.20501900 2.28516600 2 2.20629200 3.44126000 Zr F 2 4.80021500 -5.23932000 2 4.79899200 -6.98742400 Nb nelec 28 Nb ul 2 1.0000000 0.0000000 Nb S 2 9.37657800 165.15673600 2 4.04357200 21.82395100 Nb P 2 8.36360900 37.24928400 2 8.16689800 74.50738900 2 3.69307500 5.43948600 2 3.55104700 10.91325200 Nb D 2 6.68910800 15.21454900 2 6.53719300 22.83350800 2 2.55111800 3.00005200 2 2.56789600 4.55373400 Nb F 2 5.56828500 -6.28135400 2 5.67137200 -8.75564400 Mo nelec 28 Mo ul 2 1.0000000 0.0000000 Mo S 2 10.09700000 180.07685300 2 4.37567000 24.71592000 Mo P 2 9.12656400 41.22767800 2 8.86322300 82.45267000 2 4.04494800 6.34509200 2 3.86665700 12.45842300 Mo D 2 7.53575400 19.30874400 2 7.27897600 28.97767400 2 2.76320500 3.18951600 2 2.77208500 4.70016900 Mo F 2 6.30663300 -7.17888800 2 6.35644800 -9.74597800 Tc nelec 28 Tc ul 2 1.0000000 0.0000000 Tc S 2 10.79936900 195.09130300 2 4.70725700 27.34041300 Tc P 2 9.82669900 45.06081200 2 9.56111500 90.11729500 2 4.37857800 7.07051700 2 4.19090700 14.04801900 Tc D 2 8.33604500 21.65775500 2 8.24453300 32.47195900 2 3.09370700 3.78952500 2 3.16872200 6.05343000 Tc F 2 7.04094000 -7.99562300 2 7.06947300 -10.74569600 Ru nelec 28 Ru ul 2 1.0000000 0.0000000 Ru S 2 11.50059000 209.78649300 2 5.06857500 30.21430700 Ru P 2 10.53263400 48.75124400 2 10.19201000 97.49652900 2 4.73489200 7.86018800 2 4.50906500 15.32975100 Ru D 2 8.87797700 26.96750600 2 8.76612200 40.43230300 2 3.17019600 3.34075800 2 3.22885100 5.25635200 Ru F 2 7.82024900 -8.84752500 2 7.83964700 -11.83551800 Rh nelec 28 Rh ul 2 1.0000000 0.0000000 Rh S 2 12.19481600 225.31205400 2 5.40513700 32.44158200 Rh P 2 11.28075500 52.87282600 2 10.92724800 105.74552600 2 5.09011700 8.61934400 2 4.85183200 16.97345900 Rh D 2 9.13633700 25.10850100 2 8.96480800 37.69573100 2 3.64361200 4.20258400 2 3.63600700 6.29279000 Rh F 2 8.61622800 -9.67356800 2 8.62943500 -12.89984700 Pd nelec 28 Pd ul 2 1.0000000 0.0000000 Pd S 2 12.79882500 240.26278900 2 5.80052800 34.72996100 Pd P 2 11.87469700 56.74692900 2 11.47433500 113.44441700 2 5.51599900 9.34563900 2 5.24804300 18.34544700 Pd D 2 8.50221200 28.59555400 2 7.98332400 43.45392100 2 3.10762800 1.85228600 2 2.47673400 1.40676500 Pd F 2 9.67957100 -10.98725500 2 9.69134900 -14.62619000 Ag nelec 28 Ag ul 2 1.0000000 0.0000000 Ag S 2 12.5677140 255.0547710 2 6.9976620 36.9833930 Ag P 2 11.3164960 60.7157050 2 10.9580630 121.4438890 2 7.1114000 10.1718660 2 6.7733190 20.4865640 Ag D 2 8.9284370 29.5049380 2 11.1025670 44.0187360 2 5.5432120 5.3683330 2 3.9288350 7.4083750 Ag F 2 11.0129130 -12.6234030 2 11.0198980 -16.7643270 Cd nelec 28 Cd ul 2 1.0000000 0.0000000 Cd S 2 13.3551760 270.0394480 2 7.3083780 38.8777660 Cd P 2 12.6597280 64.6074700 2 12.2896390 129.2194450 2 6.7861760 10.6225580 2 6.4007430 21.2650460 Cd D 2 11.1617220 31.6639650 2 11.2196150 47.4892160 2 4.5377330 5.1862000 2 4.3357270 7.5660630 Cd F 2 11.4789860 -12.6327850 2 11.4870270 -16.7601710 In nelec 28 In ul 2 1.0000000 0.0000000 In S 2 15.3928220 281.1223500 2 8.0558640 61.9014700 In P 2 13.9286720 67.4621540 2 13.3472340 134.9492500 2 7.6141320 14.7461400 2 7.3183650 29.6392620 In D 2 14.0347150 35.4932540 2 14.5116160 53.1787730 2 5.5505500 9.1772810 2 5.0594150 12.3924100 In F 2 12.5390560 -13.7280780 2 12.5525610 -18.2068660 Sn nelec 28 Sn ul 2 1.0000000 0.0000000 Sn S 2 17.4204140 279.9886820 2 7.6311550 62.3778100 Sn P 2 16.1310240 66.1625230 2 15.6280770 132.1743960 2 7.3256080 16.3394170 2 6.9425190 32.4889590 Sn D 2 15.5149760 36.3874410 2 15.1881600 54.5078410 2 5.4560240 8.6968230 2 5.3631050 12.8402080 Sn F 2 12.2823480 -12.5763330 2 12.2721500 -16.5959440 Sb nelec 28 Sb ul 2 1.0000000 0.0000000 Sb S 2 16.3308650 281.0715810 2 8.5565420 61.7166040 Sb P 2 14.4703370 67.4573800 2 13.8161940 134.9335030 2 8.4249240 14.7163440 2 8.0927280 29.5185120 Sb D 2 14.8863310 35.4478150 2 15.1463190 53.1434660 2 5.9082670 9.1792230 2 5.5943220 13.2402530 Sb F 2 14.4449780 -15.3668010 2 14.4492950 -20.2961380 Te nelec 28 Te ul 2 1.0000000 0.0000000 Te S 2 16.8144730 281.0458430 2 8.7935260 61.6206560 Te P 2 14.8778010 67.4494640 2 14.2697310 134.9043040 2 8.7244350 14.6895470 2 8.2915150 29.4150630 Te D 2 15.2050080 35.4320570 2 15.2258480 53.1356870 2 6.0717690 9.0698020 2 5.8047600 13.1223040 Te F 2 15.2061680 -15.7454500 2 15.2017020 -20.7424480 I nelec 28 I ul 2 1.00000000 0.00000000 I S 2 40.03337600 49.98964900 2 17.30057600 281.00655600 2 8.85172000 61.41673900 I P 2 15.72014100 67.41623900 2 15.20822200 134.80769600 2 8.29418600 14.56654800 2 7.75394900 28.96842200 I D 2 13.81775100 35.53875600 2 13.58780500 53.33975900 2 6.94763000 9.71646600 2 6.96009900 14.97750000 I F 2 18.52295000 -20.17661800 2 18.25103500 -26.08807700 2 7.55790100 -0.22043400 2 7.59740400 -0.22164600 Xe nelec 28 Xe ul 2 1.0000000 0.0000000 Xe S 2 40.0051840 49.9979620 2 17.8122140 281.0133030 2 9.3041500 61.5382550 Xe P 2 15.7017720 67.4391420 2 15.2586080 134.8747110 2 9.2921840 14.6633000 2 8.5590030 29.3547300 Xe D 2 15.1856000 35.4369080 2 14.2845000 53.1957720 2 7.1218890 9.0462320 2 6.9919630 13.2236810 2 0.6239460 0.0848530 2 0.6472840 0.0441550 Xe F 2 20.8815570 -23.0892950 2 20.7834430 -30.0744750 2 5.2533890 -0.2882270 2 5.3611880 -0.3869240 Hf nelec 60 Hf ul 2 1.00000000 0.00000000 Hf S 2 10.24885600 478.23740400 4 10.72912700 0.38802400 2 1.96485600 -1.07123200 Hf P 2 8.68346200 101.04681800 2 7.91692000 212.19776100 4 9.37924300 0.13264600 4 8.24420900 0.45310800 2 1.59668600 -0.40791400 2 1.71028100 -0.56181700 Hf D 2 5.18955700 43.11546700 2 5.25322900 65.93473200 4 5.93787100 0.02591200 4 5.71290600 0.03374100 2 1.01485600 -0.28057900 2 0.47371200 -0.08484900 Hf F 2 1.91260800 4.81180100 2 1.88074000 6.41857400 Hf G 2 2.72418000 -4.63658500 2 2.70895300 -5.76728800 Ta nelec 60 Ta ul 2 1.00000000 0.00000000 Ta S 2 10.31806900 454.60064900 4 10.54026700 2.83797500 2 2.57472600 -0.81473600 Ta P 2 8.74334200 96.91078300 2 7.91622300 195.85043200 4 9.27573600 4.81252400 4 8.10167500 6.33851200 2 2.07712700 -0.45917300 2 2.75037200 -0.64458600 Ta D 2 5.44731400 45.96997600 2 5.21254500 69.63897200 4 5.88435800 0.80293300 4 5.64957900 0.42959500 2 1.38818000 -0.30722700 2 1.29439800 -0.46156000 Ta F 2 2.16127500 5.75777300 2 2.12593900 7.67816700 Ta G 2 3.14592000 -5.68406600 2 3.12794200 -7.06231300 W nelec 60 W ul 2 1.00000000 0.00000000 W S 2 11.06379500 419.22759900 2 8.21764100 41.19130700 W P 2 9.33818800 107.34811000 2 8.43044800 214.69956800 4 9.49002000 0.02544200 4 9.48994700 0.05189500 2 1.88299700 -0.11718400 2 1.90697200 0.29668900 W D 2 6.20543300 58.88127900 2 6.12215700 98.68355600 4 6.27455600 0.01953700 4 6.22637500 0.02195600 2 1.96387500 -0.08857700 2 1.88828700 -0.20972600 W F 2 2.30795300 6.23247200 2 2.27060900 8.31134500 W G 2 3.58349100 -6.80294400 2 3.56251500 -8.44323200 Re nelec 60 Re ul 2 1.00000000 0.00000000 Re S 2 12.16381400 421.97030000 2 7.10759500 50.13443900 Re P 2 9.68459700 88.48191000 2 9.47621400 176.78722000 2 7.66806600 10.43433800 2 5.05515600 20.45874300 Re D 2 6.50988800 43.16243100 2 6.09121600 64.76775900 2 4.16400600 5.34030100 2 4.40737900 8.24333200 Re F 2 2.56265800 7.24454300 2 2.52154900 9.65926600 Re G 2 4.03459900 -7.97494000 2 4.00962800 -9.88273600 Os nelec 60 Os ul 2 1.00000000 0.00000000 Os S 2 13.00200100 424.39037600 2 6.96276300 57.12250300 Os P 2 10.49894100 88.27900300 2 9.99252300 176.48606400 2 6.58824800 11.71501200 2 5.03716700 22.91500600 Os D 2 7.08344100 44.77770800 2 6.72117900 67.15364800 2 3.79462600 5.55038700 2 3.74812500 8.22010400 Os F 2 2.82627600 8.32833200 2 2.78119800 11.10310200 Os G 2 4.49698100 -9.18134300 2 4.46773800 -11.36160400 Ir nelec 60 Ir ul 2 1.00000000 0.00000000 Ir S 2 13.83147400 426.95814900 2 7.04791400 65.33881300 Ir P 2 11.10643300 88.07544200 2 10.45655200 176.12477000 2 6.37961400 12.68226000 2 5.06472600 24.63594900 Ir D 2 7.54875400 46.43325800 2 7.26530800 69.63807400 2 3.80096900 6.15024800 2 3.71828000 9.46356000 Ir F 2 3.09870600 9.48361000 2 3.04946100 12.64274200 Ir G 2 4.96979000 -10.41069700 2 4.93561400 -12.86319600 Pt nelec 60 Pt ul 2 1.00000000 0.00000000 Pt S 2 14.60450000 429.64608700 2 7.21828700 73.15688400 Pt P 2 11.57716200 88.02291700 2 10.88384300 175.99819600 2 6.42440300 13.68227400 2 5.22419800 27.41465100 Pt D 2 7.69961000 43.55785200 2 7.55080800 65.36910800 2 3.96116400 7.01859600 2 3.87277700 11.39173300 Pt F 2 3.37986900 10.71022000 2 3.32625500 14.27812500 Pt G 2 5.45202000 -11.65174900 2 5.41258500 -14.37552500 Au nelec 60 Au ul 2 1.0000000 0.0000000 Au S 2 13.5232180 426.6418670 2 6.2643840 36.8006680 Au P 2 11.4138670 87.0020910 2 10.3292150 174.0043700 2 5.7074240 8.8706100 2 4.8281650 17.9024380 Au D 2 7.4309630 49.8836550 2 8.3219900 74.6845490 2 4.6096420 6.4862270 2 3.5115070 9.5468210 Au F 2 3.0846390 8.7916400 2 3.0247430 11.6584560 Au G 2 3.9784420 -5.2343370 2 4.0114910 -6.7381420 Hg nelec 60 Hg ul 2 1.0000000 0.0000000 Hg S 2 12.4130710 275.7747970 2 6.8979130 49.2678980 Hg P 2 11.3103200 80.5069840 2 10.2107730 161.0348240 2 5.9398040 9.0834160 2 5.0197550 18.3677730 Hg D 2 8.4078950 51.1372560 2 8.2140860 76.7074590 2 4.0126120 6.5618210 2 3.7953980 9.8180700 Hg F 2 3.2731060 9.4290010 2 3.2083210 12.4948560 Hg G 2 4.4852960 -6.3384140 2 4.5132000 -8.0998630 Tl nelec 60 Tl ul 2 1.0000000 0.0000000 Tl S 2 12.1678050 281.2846630 2 8.2949090 62.4342510 Tl P 2 7.1514920 4.6334080 2 5.1728650 9.3417560 2 9.8910720 72.2992530 2 9.0033910 144.5580370 Tl D 2 7.1302180 35.9430390 2 6.9269060 53.9095930 2 5.4175700 10.3819390 2 5.1386810 15.5838220 Tl F 2 5.6263990 15.8254880 2 5.5489520 21.1040210 2 2.8749460 2.9151270 2 2.8214510 3.8969030 Tl G 2 6.6790570 -7.4945340 2 6.7068350 -9.5405750 2 7.2092840 -7.7979920 2 7.0709640 -9.2595240 Pb nelec 60 Pb ul 2 1.0000000 0.0000000 Pb S 2 12.2963030 281.2854990 2 8.6326340 62.5202170 Pb P 2 10.2417900 72.2768970 2 8.9241760 144.5910830 2 6.5813420 4.7586930 2 6.2554030 9.9406210 Pb D 2 7.7543360 35.8485070 2 7.7202810 53.7243420 2 4.9702640 10.1152560 2 4.5637890 14.8337310 Pb F 2 3.8875120 12.2098920 2 3.8119630 16.1902910 Pb G 2 5.6915770 -9.0966650 2 5.7155670 -11.5319960 Bi nelec 60 Bi ul 2 1.0000000 0.0000000 Bi S 2 13.0430900 283.2642270 2 8.2216820 62.4719590 Bi P 2 10.4677770 72.0014990 2 9.1189010 144.0022770 2 6.7547910 5.0079450 2 6.2525920 9.9915500 Bi D 2 8.0814740 36.3962590 2 7.8905950 54.5976640 2 4.9555560 9.9842940 2 4.7045590 14.9814850 Bi F 2 4.2145460 13.7133830 2 4.1334000 18.1943080 Bi G 2 6.2057090 -10.2474430 2 6.2277820 -12.9557100 Po nelec 60 Po ul 2 1.0000000 0.0000000 Po S 2 13.2772270 283.2447060 2 8.3995180 62.3964610 Po P 2 10.6656820 71.9917160 2 9.2837530 143.9718710 2 6.8727490 4.9496150 2 6.3261500 9.7404990 Po D 2 8.2148660 36.3783830 2 8.0086960 54.5627150 2 5.0552270 9.8894990 2 4.7825530 14.6938770 Po F 2 5.0132700 17.4282950 2 4.9846400 23.3803530 2 1.3267600 0.1633920 2 1.5287580 0.3245660 Po G 2 6.7715260 -11.5632940 2 6.7779250 -14.5097880 At nelec 60 At ul 2 1.0000000 0.0000000 At S 2 30.2008320 49.9571580 2 13.6123060 283.2103710 2 8.5293400 62.2810520 At P 2 10.8540650 71.9823710 2 9.4682290 143.9035320 2 7.0311140 4.8717590 2 6.1438580 8.9830590 At D 2 8.3135150 36.3632370 2 7.9989650 54.5489700 2 5.1799660 9.7762850 2 4.9422260 14.2647550 At F 2 5.8121630 19.8701980 2 5.7537150 26.4164520 2 2.5134720 0.9949700 2 2.5362610 1.4907010 At G 2 9.8957780 -22.2232030 2 9.7373340 -26.7154760 2 3.0133310 -0.3730440 2 3.0977630 -0.4859460 Rn nelec 60 Rn ul 2 1.0000000 0.0000000 Rn S 2 30.1512420 49.9655510 2 14.5212410 283.0700000 2 8.0520380 62.0028700 Rn P 2 11.0099420 71.9691190 2 9.6176250 143.8605590 2 7.3360080 4.7147610 2 6.4062530 9.0130650 Rn D 2 8.3692200 36.3683650 2 8.1169750 54.5517610 2 5.3536560 9.6344870 2 5.0972120 14.3879020 Rn F 2 6.3485710 21.7972900 2 6.2959490 28.9468050 2 2.8821180 1.4473650 2 2.9080480 2.1779640 Rn G 2 11.0152050 -25.2280950 2 10.9098530 -30.5661210 2 3.4827610 -0.5748000 2 3.6004180 -0.7795380 END Stuttgart_MCDHF_RSC_ECP # CRENBL ECP EMSL Basis Set Exchange Library 2/15/16 4:26 AM # Elements References # --------- ---------- # H: T.H. Dunning, Jr. and P.J. Hay; Gaussian Basis Sets for Molecular # Calculations, in Methods of Electronic Structure Theory, Vol. 3 (1975) # Li - Ar: L.F. Pacios and P. A. Christiansen, J. Chem. Phys. 82, 2664 (1985). # K - Kr: M.M. Hurley et al. J. Chem. Phys. 84, 6840 (1986). # Rb - I: L.A. LaJohn et al. J. Chem. Phys., 87, 2812 (1987). # Xe: M.M. Hurley et al. J. Chem. Phys. 84, 6840 (1986). # Cs: R.B. ROSS, W.C. ERMLER, P.A. CHRISTIANSEN ET AL. J. CHEM. # PHYS. 93, (1990) 6654. # Ba: R.B. ROSS, W.C. ERMLER, P.A. CHRISTIANSEN, ET AL. SUB.TO # J. CHEM. PHYS. # La: R.B. ROSS, W.C. ERMLER, P.A. CHRISTIANSEN ET AL. J. CHEM. # PHYS. 93,(1990)6654. # Ce - Lu: R.B. Ross, W.C. Ermler, S. Das, To be published # Hf - Rn: R.B. ROSS, W.C. ERMLER, P.A. CHRISTIANSEN ET AL. J. CHEM. # PHYS. 93,(1990)6654. # Fr - Pu: W.C. ERMLER, R.B. ROSS, P.A. CHRISTIANSEN, INT. J. QUANT. # CHEM. 40,(1991)829. # Am - Uuo:C.S. NASH, B.E. BURSTEN, W.C. ERMLER, J. CHEM. PHYS. 1997 # CRENBL_ECP Li nelec 2 Li ul 2 0.80780000 -0.11866700 2 2.55000001 -1.21779400 1 7.25349998 -1.37580501 Li S 2 0.79980000 24.33369899 2 0.77410000 -20.66639709 1 1.19430000 -1.14289200 0 2.19990000 2.99401900 Be nelec 2 Be ul 2 1.88230000 -0.25828800 2 6.05660000 -2.09550900 1 17.07800000 -1.39610200 Be S 2 1.51470000 -28.57470500 2 1.58470000 35.73522700 1 2.30910000 -1.31942100 0 4.20010000 2.96972500 B nelec 2 B ul 2 3.56130004 -0.43494600 2 11.78320026 -3.20745206 1 33.37820053 -1.41778803 B S 2 2.51550007 -37.55111694 2 2.68079996 51.02549744 1 3.95619988 -2.38443398 0 7.41090012 2.97974205 C nelec 2 C ul 2 5.35280001 -0.55931300 2 18.06680012 -4.07454997 1 51.61590004 -1.43484600 C S 2 3.81909999 -47.09821510 2 4.17320001 71.58925819 1 6.27069998 -4.67536402 0 12.21120000 3.03797001 N nelec 2 N ul 2 7.47939998 -0.67093700 2 25.34080005 -4.87202299 1 73.08880043 -1.45602100 N S 2 4.17259997 -60.38108397 2 4.74250001 69.86420631 1 8.16100001 -9.60874701 0 2.38600001 3.27333000 O nelec 2 O ul 2 10.02859998 -0.79842000 2 34.19799995 -5.76684701 1 100.00389957 -1.48645601 O S 2 2.24790001 11.21630394 2 2.40490001 -16.34447694 1 4.37400001 1.04294400 0 2.18920001 2.19389099 F nelec 2 F ul 2 44.51660013 -6.72302401 2 12.94869995 -0.92964900 1 132.49670029 -1.52673399 F S 2 2.88350001 12.68530595 2 3.10769999 -19.30258894 1 5.61220002 1.00217900 0 2.81459999 2.24534899 Ne nelec 2 Ne ul 2 16.20239997 -1.05784200 2 56.17350006 -7.71812600 1 170.70949936 -1.57767500 Ne S 2 3.57620001 13.66500998 2 3.88209999 -21.93867993 1 6.98530000 0.92151100 0 3.48379999 2.28758100 Na nelec 2 Na ul 2 1.60680000 -0.00010200 2 22.52309990 -1.71544300 1 76.23649979 -1.36191100 Na S 2 2.47830001 -14.53866100 2 3.09900001 31.91120791 2 3.94710001 -32.32224607 1 8.21659994 3.14094701 0 1.50080000 1.87765500 Mg nelec 2 Mg ul 2 1.13200000 -0.00005300 2 27.30570006 -1.93249400 1 93.30560017 -1.39384700 Mg S 2 2.95159999 -15.62671006 2 3.73249999 33.53119421 2 4.81180000 -36.07307196 1 9.91949999 3.12963399 0 1.81850000 1.93843301 Al nelec 10 Al ul 2 1.22110000 -0.53798100 2 3.36809999 -5.45975602 2 9.75000000 -16.65534306 1 29.26929998 -6.47521502 Al S 2 1.56310000 -56.20521307 2 1.77120000 149.68995476 2 2.06230000 -91.45439434 1 3.35830000 3.72894901 0 2.13000000 3.03799400 Al P 2 1.82310000 93.67560577 2 2.12490001 -189.88896751 2 2.57049999 110.24810410 1 1.75749999 4.19959599 0 6.76929998 5.00335598 Si nelec 10 Si ul 2 1.62109999 -0.67587200 2 4.53210002 -6.72859800 2 13.20760000 -19.62386489 1 39.96990013 -6.58675301 Si S 2 1.86890000 -54.56442690 2 2.11390001 146.37274933 2 2.45269999 -88.33109474 1 3.88029999 6.76354098 0 2.56439999 3.11288401 Si P 2 2.47999999 116.56166363 2 2.97729999 -224.59841347 2 3.77399999 138.22863007 1 5.56639999 2.85250399 0 10.31330001 5.07075799 P nelec 10 P ul 2 2.10920000 -0.86027200 2 5.96789998 -8.20137298 2 17.52020001 -22.87043905 1 53.42819977 -6.70789498 P S 2 2.28240001 -58.04999590 2 2.62020001 161.87587929 2 3.10800001 -98.19643497 1 5.00660002 6.34047300 0 3.27329999 3.02931401 P P 2 3.10389999 127.97804737 2 3.78320000 -243.39212990 2 4.91720003 150.05020714 1 4.28490001 3.93873200 0 13.30770004 5.00513297 S nelec 10 S ul 2 2.69159999 -1.09096500 2 7.70099998 -9.88182199 2 22.82830000 -26.41339898 1 70.11800003 -6.83946300 S S 2 2.79040000 -59.91221809 2 3.26820001 182.12236595 2 3.99610001 -115.52312756 1 6.41450000 5.37397599 0 4.27050000 2.95619199 S P 2 2.23629999 -48.71918821 2 2.60190001 140.84932518 2 3.14840001 -100.90417099 1 5.23589998 4.19983298 0 3.34340000 4.77143699 Cl nelec 10 Cl ul 2 3.35940000 -1.33688600 2 9.73140001 -11.74370098 2 29.25079989 -30.29555702 1 90.54559994 -6.98328000 Cl S 2 3.14739999 -63.02188396 2 3.68259999 187.00407219 2 4.48879999 -114.41922283 1 7.18110001 7.64637101 0 4.77090001 2.99997699 Cl P 2 2.70510000 -52.91793823 2 3.20280001 159.08480644 2 3.98570001 -118.43760872 1 6.57059997 5.19199800 0 4.28479999 4.67078602 Ar nelec 10 Ar ul 2 4.16430002 -1.63101099 2 12.05250001 -13.63825095 2 36.67759991 -34.38315582 1 114.51200008 -7.13807201 Ar S 2 2.13659999 44.27679110 2 2.42739999 -119.46989155 2 2.96259999 107.43421745 1 2.01010001 1.31314400 0 11.53380001 3.35814700 Ar P 2 2.68390000 -73.12434769 2 3.28560001 168.99321175 2 4.10600001 -117.48934937 1 7.93089998 3.61798900 0 1.48770000 4.84710997 K nelec 10 K ul 2 4.99889994 -1.96356797 2 14.58220005 -15.53031635 2 44.89559937 -38.57669830 1 141.48350525 -7.30101395 K S 2 2.41030002 33.92499542 2 2.77449989 -117.52191162 2 3.33690000 108.25654602 1 2.22169995 5.80375385 0 12.19449997 3.21023202 K P 2 3.15459990 -69.97570801 2 4.03189993 178.15260315 2 5.16720009 -136.11946106 1 11.33360004 4.43228197 0 1.74329996 4.74835920 Ca nelec 10 Ca ul 2 5.92140007 -2.26729298 2 17.20369911 -17.17546654 2 53.37039948 -42.60916519 1 169.98489380 -7.46766806 Ca S 2 2.68330002 29.85718918 2 3.08299994 -117.43736267 2 3.70659995 102.65641785 1 2.47650003 10.56573391 0 13.28890038 3.14651394 Ca P 2 3.47429991 -77.17020416 2 4.38199997 180.64172363 2 5.66209984 -125.80883789 1 2.20009995 5.88094378 0 6.12169981 4.76948595 Sc nelec 10 Sc ul 2 6.93090010 -2.56915808 2 20.47940063 -19.51248169 2 64.68340302 -47.74710464 1 208.68989563 -7.68808413 Sc S 2 2.16470003 -26.87937546 2 2.51990008 86.15200806 2 3.27999997 -158.35868835 2 4.30459976 153.65249634 1 6.17159987 -0.10035100 0 15.90830040 3.41862202 Sc P 2 3.22720003 36.96915436 2 3.82780004 -117.41492462 2 5.22049999 213.54290771 2 7.13719988 -163.69456482 1 12.81589985 5.76216221 0 4.66620016 4.66992807 Ti nelec 10 Ti ul 2 8.02050018 -2.92140889 2 23.73159981 -21.51072121 2 76.42070007 -53.50305176 1 255.15179443 -8.13299370 Ti S 2 2.09669995 -51.37191772 2 2.54419994 113.32749939 2 3.42569995 -173.03866577 2 4.62150002 146.56672668 1 1.50059998 6.99775124 0 18.84980011 3.13227606 Ti P 2 3.53789997 32.56519318 2 4.22800016 -122.77304840 2 5.74259996 217.98690796 2 7.77629995 -168.72882080 1 11.05430031 5.54500103 0 3.26570010 4.74136782 V nelec 10 V ul 2 8.96249962 -3.13644791 2 26.80929947 -23.11002541 2 86.54989624 -57.05287170 1 287.72830200 -8.13861370 V S 2 2.22530007 -46.46123505 2 2.78329992 98.90882874 2 3.80530000 -175.34150696 2 5.07000017 152.27613831 1 1.67320001 9.72578144 0 18.82760048 3.10772490 V P 2 2.21219993 -17.85890961 2 2.62529993 58.30934525 2 3.52760005 -111.78504944 2 4.77939987 115.28333282 1 8.18389988 -5.63639116 0 17.38699913 5.50943995 Cr nelec 10 Cr ul 2 10.01910019 -3.35951304 2 29.92650032 -24.58956909 2 97.39040375 -61.44187164 1 329.05120850 -8.37935352 Cr S 2 3.08360004 -28.40607834 2 3.57769990 91.17616272 2 4.65269995 -171.88383484 2 6.15100002 181.42510986 1 23.50239944 10.19894505 0 20.16909981 3.05980206 Cr P 2 2.44000006 -18.25805855 2 2.89219999 59.41814041 2 3.88299990 -113.84180450 2 5.25540018 117.49102783 1 8.93529987 -4.18536377 0 18.83979988 5.40804720 Mn nelec 10 Mn ul 2 11.27060032 -3.68953991 2 33.69400024 -26.47902679 2 110.90019989 -66.81269073 1 381.80200195 -8.68252087 Mn S 2 3.39709997 -28.53082275 2 3.94370008 91.91989136 2 5.13509989 -174.68742371 2 6.81869984 189.56167603 1 24.90229988 12.27451992 0 21.42359924 3.10475302 Mn P 2 2.69440007 -18.95299530 2 3.18889999 61.78389740 2 4.26399994 -117.40400696 2 5.76149988 120.17333984 1 9.85439968 -2.76534510 0 20.32609940 5.31945705 Fe nelec 10 Fe ul 2 12.42240047 -3.92273593 2 37.31629944 -28.14956284 2 124.06909943 -71.93667603 1 435.19369507 -8.99319363 Fe S 2 3.44029999 -29.52211952 2 4.06059980 94.51435852 2 5.46460009 -185.51301575 2 7.53329992 213.25717163 1 4.66279984 1.00094295 0 28.74029922 3.35134506 Fe P 2 2.94460011 -19.13289261 2 3.48340011 62.18554688 2 4.66179991 -118.63009644 2 6.30060005 122.39747620 1 10.56540012 -1.59960997 0 21.84390068 5.25198078 Co nelec 10 Co ul 2 13.73709965 -4.21805000 2 41.34360123 -30.00989914 2 139.10049438 -77.76090240 1 499.13769531 -9.37224770 Co S 2 3.74440002 -30.76871681 2 4.40280008 96.04718781 2 5.94509983 -186.83770752 2 8.18770027 214.13160706 1 7.63889980 3.17480111 0 29.83790016 3.30929589 Co P 2 2.91549993 -28.57496452 2 3.64409995 90.32809448 2 4.85970020 -157.74783325 2 6.52129984 137.59988403 1 1.70739996 1.21656799 0 24.11779976 5.09922504 Ni nelec 10 Ni ul 2 14.88280010 -4.43806982 2 45.52199936 -32.09807205 2 155.59590149 -84.09606934 1 571.42022705 -9.79445744 Ni S 2 3.39499998 -48.54310989 2 4.34530020 106.50110626 2 6.15019989 -202.67271423 2 8.67730045 218.64447021 1 2.48749995 7.88036299 0 31.87439919 3.17160606 Ni P 2 4.04260015 54.26760101 2 1.78050005 1.34231699 2 5.53210020 -121.26470184 2 7.91690016 154.69761658 1 2.22440004 -6.76423597 0 30.32270050 5.44540691 Cu nelec 10 Cu ul 2 16.30159950 -4.73227501 2 49.98759842 -34.06355667 2 173.02969360 -90.69224548 1 651.10559082 -10.26460838 Cu S 2 3.70869994 -87.13957977 2 4.51280022 209.05120850 2 5.53380013 -202.30523682 2 10.20059967 154.84190369 1 2.66059995 9.21743488 0 32.17929840 3.18838096 Cu P 2 3.69499993 -19.07518959 2 4.45380020 63.05695343 2 6.17630005 -127.18070221 2 8.83930016 158.41213989 1 14.67029953 -5.66128206 0 30.43350029 5.39882612 Zn nelec 10 Zn ul 2 17.70450020 -4.95285416 2 54.37659836 -35.81423950 2 190.26429749 -97.18619537 1 733.55322266 -10.75999069 Zn S 2 3.00970006 -25.24020195 2 5.60309982 76.24803925 2 6.86539984 -184.65945435 2 10.42599964 185.51107788 1 2.56110001 14.91602993 0 36.70050049 3.06773496 Zn P 2 4.11560011 -28.08492470 2 4.90450001 99.61754608 2 6.25229979 -140.06907654 2 9.47249985 151.88270569 1 5.86420012 -3.59432101 0 34.27420044 5.29285192 Ga nelec 18 Ga ul 2 0.97359997 -0.77471000 2 3.25300002 -5.18385077 2 9.12030029 -16.36283493 2 30.20359993 -46.29306030 1 87.78540039 -12.36761570 Ga S 2 1.29789996 47.45992279 2 1.46560001 -133.31851196 2 1.80809999 198.61817932 2 2.20980000 -111.65273285 1 3.41070008 26.52990341 0 13.75800037 3.20841599 Ga P 2 1.60810006 -22.17953682 2 1.83080006 116.83462524 2 2.31450009 -173.27267456 2 2.96409988 116.79779053 1 6.94740009 13.53756237 0 9.34539986 5.37063789 Ge nelec 18 Ge ul 2 1.35459995 -1.40196705 2 5.02229977 -9.45403576 2 15.32830048 -23.62409592 2 47.47309875 -62.44671631 1 136.24209595 -12.96366024 Ge S 2 2.30509996 -27.65140533 2 2.67100000 157.55535889 2 3.49440002 -208.90888977 2 4.66540003 146.75300598 1 14.92539978 26.79065895 0 44.04529953 2.94686103 Ge P 2 1.72140002 -55.52495575 2 1.98930001 194.35308838 2 2.55629992 -249.20588684 2 3.29259992 154.47665405 1 8.26930046 13.02904606 0 10.14990044 5.37435579 As nelec 18 As ul 2 1.74109995 -2.03465605 2 6.73740005 -13.08909798 2 21.89489937 -30.30925941 2 63.28400040 -73.83747101 1 186.78129578 -13.68201923 As S 2 1.60979998 34.11351776 2 1.81799996 -109.88148499 2 2.25640011 198.61093140 2 2.81340003 -128.75582886 1 3.85339999 32.51686478 0 16.49069977 3.33781409 As P 2 1.92700005 -68.50337982 2 2.25600004 231.13151550 2 2.96729994 -286.99252319 2 3.93980002 179.05894470 1 11.13199997 12.12996483 0 11.22399998 5.37297487 Se nelec 18 Se ul 2 2.11820006 -2.58638692 2 8.24320030 -15.59965801 2 28.67779922 -41.25695801 2 93.85810089 -98.63784790 1 239.63980103 -12.61432457 Se S 2 2.58559990 -76.46389771 2 3.04340005 269.16049194 2 4.03289986 -307.33093262 2 5.39890003 196.38562012 1 18.18700027 29.18940735 0 55.40280151 2.91098595 Se P 2 2.16829991 -72.78518677 2 2.57850003 252.06176758 2 3.48589993 -313.29913330 2 4.79790020 200.91072083 1 14.74899960 12.05568886 0 13.46450043 5.31686020 Br nelec 18 Br ul 2 2.54780006 -3.20746708 2 9.90429974 -17.81955910 2 32.94390106 -41.36774826 2 98.63279724 -102.00952911 1 287.78079224 -13.96452522 Br S 2 1.81379998 41.54266739 2 2.07699990 -130.86531067 2 2.65140009 229.11135864 2 3.39140010 -139.15881348 1 5.07940006 34.69166565 0 22.00860023 3.13891602 Br P 2 2.34380007 -68.31208801 2 2.78999996 236.41137695 2 3.77500010 -285.20968628 2 5.22399998 192.27485657 1 15.22420025 13.39648247 0 14.20930004 5.33779001 Kr nelec 18 Kr ul 2 3.05509996 -3.98946905 2 12.09599972 -21.25818825 2 41.91159821 -50.23062134 2 122.37729645 -113.97364807 1 363.47369385 -14.67047119 Kr S 2 2.98720002 -78.36124420 2 3.60640001 278.31964111 2 4.98120022 -296.60931396 2 7.04050016 197.15113831 1 22.72100067 13.34094238 0 21.71269989 3.35239601 Kr P 2 2.61249995 -73.70785522 2 3.15750003 262.28320312 2 4.38999987 -317.21502686 2 6.30530024 218.15017700 1 19.63229942 13.32087612 0 17.43339920 5.26835585 Rb nelec 28 Rb ul 2 1.96459997 -1.04400003 2 5.02349997 -12.26854706 2 12.31190014 -40.49360657 2 39.43920136 -92.10794830 1 116.43070221 -20.25083160 Rb S 2 2.29809999 50.81394196 2 2.66269994 -162.04731750 2 3.50929999 313.81082153 2 4.96980000 -309.75451660 2 6.94840002 216.07606506 1 17.70389938 20.86063194 0 25.66029930 3.36120105 Rb P 2 2.02160001 45.41232300 2 2.33979988 -145.47238159 2 3.07839990 283.18420410 2 4.37570000 -305.10214233 2 6.15859985 207.65396118 1 16.77890015 12.15985012 0 16.61680031 5.39989424 Rb D 2 1.23380005 31.68275070 2 1.41939998 -100.62529755 2 1.83389997 186.52160645 2 2.54550004 -239.76072693 2 3.47009993 170.19052124 1 10.62069988 9.91743755 0 9.28610039 7.41062880 Sr nelec 28 Sr ul 2 2.23399997 -1.16187501 2 5.67100000 -13.37399960 2 13.88179970 -43.23659134 2 44.81060028 -100.09903717 1 132.90260315 -20.51813126 Sr S 2 2.44670010 53.58986664 2 2.86780000 -172.08218384 2 3.86610007 345.58593750 2 5.66069984 -351.22171021 2 8.30790043 257.34286499 1 23.49519920 12.91709232 0 21.03380013 6.33449411 Sr P 2 2.20950007 49.15122604 2 2.58439994 -158.82582092 2 3.46840000 320.08462524 2 5.06430006 -349.10769653 2 7.37960005 239.32991028 1 22.22710037 11.86419868 0 19.91810036 5.33859777 Sr D 2 1.40730000 32.67572403 2 1.62419999 -103.22133636 2 2.11750007 193.27650452 2 2.97239995 -248.63302612 2 4.11800003 183.39566040 1 12.52390003 10.14631939 0 10.88269997 7.38135815 Y nelec 28 Y ul 2 2.90050006 -2.22248793 2 7.94630003 -23.57674599 2 21.59399986 -59.28044128 2 78.34619904 -164.74046326 1 265.06298828 -22.87406540 Y S 2 2.68510008 55.64851379 2 3.13739991 -177.82318115 2 4.20650005 354.56311035 2 6.10620022 -340.00125122 2 8.79300022 239.03950500 1 26.35610008 14.65989113 0 26.61560059 3.39070010 Y P 2 2.37949991 50.28510666 2 2.77360010 -160.27282715 2 3.70539999 317.67678833 2 5.37099981 -336.20748901 2 7.78319979 237.31672668 1 22.16099930 12.75121307 0 20.47360039 5.37008190 Y D 2 1.58969998 33.29671097 2 1.85490000 -109.96274567 2 2.44250011 213.90904236 2 3.47909999 -273.61801147 2 4.95599985 207.30749512 1 15.23060036 10.78762054 0 13.37300015 7.32198191 Zr nelec 28 Zr ul 2 1.96560001 -0.27778301 2 4.82639980 -6.66180706 2 12.26459980 -38.94683075 2 38.00030136 -86.41357422 1 114.34359741 -20.21328354 Zr S 2 2.70860004 51.15351486 2 3.23639989 -166.17219543 2 4.53420019 354.62121582 2 6.97310019 -347.42883301 2 10.91759968 262.91113281 1 42.70869827 44.85594177 0 158.05920410 2.81595111 Zr P 2 2.57399988 53.14321518 2 3.03749990 -172.25927734 2 4.15030003 357.74844360 2 6.21470022 -387.61001587 2 9.40369987 275.60794067 1 29.28240013 12.65426922 0 25.48209953 5.28926516 Zr D 2 1.78410006 35.59209442 2 2.08969998 -115.19468689 2 2.79329991 225.52505493 2 4.06930017 -291.76715088 2 5.94059992 232.36845398 1 18.74440002 11.23965740 0 16.13680077 7.27583790 Nb nelec 28 Nb ul 2 3.44460011 -2.12992907 2 9.11340046 -22.97262573 2 22.98679924 -56.91117859 2 76.26629639 -145.99894714 1 234.28889465 -21.96123505 Nb S 2 2.88310003 51.21849060 2 3.43950009 -165.87748718 2 4.80849981 353.43283081 2 7.36780024 -339.01223755 2 11.54769993 273.15057373 1 37.81430054 19.10134315 0 33.57780075 3.36632800 Nb P 2 2.75320005 52.35134125 2 3.24040008 -168.72013855 2 4.41370010 349.30529785 2 6.57270002 -368.03564453 2 9.91119957 271.09564209 1 29.60670090 13.24002266 0 25.94729996 5.32180595 Nb D 2 1.90470004 34.02252197 2 2.22099996 -109.34761810 2 2.94840002 211.43179321 2 4.25290012 -270.02197266 2 6.14580011 220.20515442 1 18.43989944 11.01616001 0 15.86740017 7.31999588 Mo nelec 28 Mo ul 2 3.86059999 -2.39912391 2 10.36299992 -26.34414482 2 26.72909927 -62.09140015 2 89.23100281 -163.40112305 1 279.54220581 -22.59148788 Mo S 2 2.99819994 48.17292404 2 3.58340001 -156.71144104 2 5.01289988 332.59915161 2 7.67030001 -312.30667114 2 11.45119953 157.88722229 1 9.75979996 29.96883774 0 37.12519836 3.41751909 Mo P 2 2.94350004 50.96643829 2 3.45880008 -164.71308899 2 4.69640017 342.27224731 2 6.96299982 -351.59188843 2 10.48050022 269.40219116 1 29.96489906 14.04963779 0 26.68639946 5.35105991 Mo D 2 2.12299991 36.05135727 2 2.49699998 -117.10117340 2 3.36770010 232.92193604 2 4.96120024 -297.79098511 2 7.39949989 252.18852234 1 22.86809921 11.67608738 0 19.53870010 7.26251984 Tc nelec 28 Tc ul 2 4.28879976 -2.68787909 2 11.57050037 -28.78056145 2 29.77589989 -64.90345001 2 98.04190063 -172.06602478 1 307.48928833 -22.93936157 Tc S 2 2.15630007 -27.43015671 2 2.51180005 89.00428009 2 3.30170012 -170.35900879 2 4.74079990 284.85977173 2 6.52559996 -137.86445618 1 10.52480030 20.88568306 0 7.10739994 3.27177596 Tc P 2 3.08780003 52.82186508 2 3.68630004 -173.63539124 2 5.14750004 377.18582153 2 7.94019985 -400.31878662 2 12.23849964 238.46206665 1 10.65450001 17.92267990 0 35.27830124 5.26544809 Tc D 2 2.34229994 38.29109192 2 2.78130007 -125.35187531 2 3.82170010 257.23062134 2 5.76849985 -330.65811157 2 8.93659973 291.91574097 1 28.75009918 12.69731045 0 24.47260094 7.19261312 Ru nelec 28 Ru ul 2 4.78420019 -3.01680589 2 13.04769993 -32.88051987 2 35.18500137 -73.65652466 2 119.48639679 -202.19105530 1 392.59069824 -24.11733246 Ru S 2 2.42680001 -29.59748840 2 2.81320000 95.84513855 2 3.67639995 -184.26242065 2 5.28630018 326.30468750 2 7.51270008 -191.65345764 1 11.46560001 49.91513824 0 56.84280014 2.90960789 Ru P 2 2.04450011 -24.95108986 2 2.42230010 86.32252502 2 3.22399998 -172.20999146 2 4.73470020 306.91882324 2 6.77710009 -195.84736633 1 11.11660004 16.67239571 0 7.63590002 5.11160898 Ru D 2 2.49099994 37.18661118 2 2.94939995 -121.85943604 2 4.02759981 248.04385376 2 6.02890015 -313.83843994 2 9.24909973 282.90338135 1 28.46680069 12.31614971 0 24.18630028 7.23575020 Rh nelec 28 Rh ul 2 5.26849985 -3.34650707 2 14.52709961 -36.27990723 2 39.89099884 -79.27825165 2 135.15080261 -219.38746643 1 451.73019409 -24.89464378 Rh S 2 2.33960009 -26.99048614 2 2.77189994 88.46970367 2 3.75909996 -175.11592102 2 5.70620012 340.60363770 2 8.72089958 -223.21163940 1 13.09829998 47.58080292 0 91.69550323 2.79638195 Rh P 2 2.27749991 -22.92908096 2 2.70799994 84.58609009 2 3.56419992 -171.19743347 2 5.25099993 316.75189209 2 7.78830004 -225.04205322 1 11.98419952 49.74481964 0 70.47000122 4.39694500 Rh D 2 2.72009993 40.01486969 2 3.25489998 -131.79638672 2 4.54110003 277.17028809 2 6.98999977 -353.21633911 2 11.21280003 332.40838623 1 36.28559875 13.58090496 0 30.69669914 7.15987301 Pd nelec 28 Pd ul 2 5.79349995 -3.67986703 2 15.97259998 -39.08115387 2 44.46939850 -84.86928558 2 151.29159546 -237.43994141 1 516.64819336 -25.76420593 Pd S 2 2.48130012 -27.05408478 2 2.93619990 88.65593719 2 3.97420001 -175.50939941 2 6.02339983 342.64071655 2 9.19719982 -222.09843445 1 13.76439953 51.81674576 0 89.98899841 2.82314610 Pd P 2 2.39150000 -28.74325180 2 2.83590007 94.62859344 2 3.84990001 -189.17919922 2 5.86049986 380.36779785 2 9.15100002 -312.48147583 1 13.94559956 56.35126877 0 101.21410370 4.31076288 Pd D 2 2.88260007 39.28127670 2 3.44020009 -129.23152161 2 4.77540016 269.75354004 2 7.29589987 -337.91909790 2 11.60599995 324.82962036 1 36.10689926 13.18474102 0 30.47970009 7.19891405 Ag nelec 28 Ag ul 2 6.26410007 -3.58370399 2 17.34429932 -41.52972031 2 49.05220032 -90.43763733 2 167.69929504 -254.95243835 1 583.98468018 -26.65418816 Ag S 2 2.66310000 -27.86531448 2 3.13039994 89.86640167 2 4.20359993 -176.23782349 2 6.23330021 323.62954712 2 8.93859959 -149.80087280 1 14.17240047 18.86888504 0 9.84739971 3.26756096 Ag P 2 2.52550006 -27.75139236 2 3.00219989 94.34455872 2 4.04619980 -187.94503784 2 6.16489983 377.22006226 2 9.54640007 -298.96502686 1 14.71339989 56.06618118 0 99.15979767 4.33762121 Ag D 2 3.03929996 38.58859253 2 3.62039995 -126.88704681 2 5.00589991 263.18853760 2 7.60449982 -325.30596924 2 12.02890015 319.68847656 1 36.31949997 12.95428467 0 30.56290054 7.22897387 Cd nelec 28 Cd ul 2 6.88749981 -4.22736502 2 19.10289955 -45.16851807 2 55.09080124 -97.85390472 2 189.13699341 -277.36898804 1 674.74859619 -27.82247353 Cd S 2 2.95350003 -29.60593224 2 3.45910001 96.45623016 2 4.60519981 -189.33224487 2 6.83580017 365.01492310 2 10.11009979 -208.19114685 1 15.29839993 50.42354965 0 97.10109711 2.75293803 Cd P 2 2.53099990 -27.20086288 2 3.00780010 90.01723480 2 4.08690023 -179.77046204 2 6.19070005 347.07955933 2 9.26280022 -229.02343750 1 14.80700016 19.48693848 0 10.56299973 5.02399683 Cd D 2 3.22659993 40.55107880 2 3.89599991 -133.15621948 2 5.54120016 284.73294067 2 8.73200035 -357.67636108 2 14.25979996 299.06478882 1 12.15629959 17.66106606 0 40.44020081 7.21160984 In nelec 36 In ul 2 1.34599996 -1.94056201 2 3.56830001 -11.47955036 2 14.11800003 -53.80504227 1 41.56969833 -22.34759712 In S 2 0.19520000 0.07365500 2 1.17530000 -59.16038895 2 1.40520000 180.88560486 2 1.70469999 -114.79077148 1 2.88599992 15.04667282 0 4.41620016 6.86890602 In P 2 0.82660002 -75.74547577 2 1.04190004 171.16397095 2 1.35699999 -196.06549072 2 1.70620000 87.76480865 1 0.60479999 24.37946129 0 7.74840021 5.66978121 In D 2 0.82840002 -1.61824703 2 1.47130001 2.52116203 2 2.41720009 -42.73102570 2 3.16120005 41.48542786 1 1.45360005 8.59886932 0 13.23980045 7.80331993 Sn nelec 36 Sn ul 2 1.49080002 -2.08150506 2 3.96700001 -12.32594395 2 15.61760044 -58.33305359 1 46.37760162 -22.59982109 Sn S 2 0.87500000 4.67122316 2 1.07930005 -101.40917206 2 1.31959999 153.43458557 2 1.61670005 -99.63557434 1 0.89330000 42.69211578 0 13.34959984 3.70672011 Sn P 2 0.93419999 -89.44316101 2 1.16709995 188.95716858 2 1.57159996 -210.16172791 2 1.99930000 98.57840729 1 0.67259997 24.45154953 0 8.51509953 5.68232679 Sn D 2 1.23920000 -20.61536407 2 1.67750001 39.18358994 2 2.41880012 -76.06874084 2 3.30940008 59.03364944 1 1.00779998 8.33738613 0 14.44050026 7.81764507 Sb nelec 36 Sb ul 2 1.64499998 -2.23113608 2 4.41020012 -13.31894398 2 17.29479980 -63.36921310 1 51.86349869 -22.87770844 Sb S 2 1.32270002 -91.23473358 2 1.76600003 234.76853943 2 2.47189999 -302.15496826 2 3.24390006 153.18350220 1 0.97100002 25.74815941 0 11.29850006 6.54234791 Sb P 2 0.75700003 29.66554260 2 0.87760001 -90.75620270 2 1.12709999 147.41183472 2 1.42659998 -87.66103363 1 1.98370004 10.96317959 0 1.52310002 6.60084820 Sb D 2 1.68490005 -27.32286644 2 2.05110002 70.00717926 2 2.84559989 -102.09190369 2 3.94829988 90.42972565 1 6.62400007 0.34869000 0 14.89630032 8.32599354 Te nelec 36 Te ul 2 1.81439996 -2.38358688 2 4.86980009 -14.21988106 2 18.94720078 -67.92436981 1 57.30979919 -23.13225365 Te S 2 1.33440006 -117.50439453 2 1.62170005 161.63246155 2 2.21479988 -120.28221893 2 3.17429996 25.30402184 1 1.07500005 49.01689529 0 16.05739975 5.21098709 Te P 2 0.86379999 33.98709869 2 1.00119996 -106.35176849 2 1.28160000 178.77839661 2 1.62300003 -110.42464447 1 2.40730000 29.88292694 0 12.56849957 5.44751978 Te D 2 1.86860001 -25.48574638 2 2.25830007 65.04901886 2 3.07999992 -95.47418976 2 4.19910002 84.64656830 1 7.17479992 2.66751909 0 15.52460003 8.15157413 I nelec 36 I ul 2 2.00659990 -2.60678697 2 5.41200018 -15.30154037 2 20.88789940 -73.32185364 1 63.82109833 -23.43061638 I S 2 1.53009999 -144.29801941 2 1.85660005 252.49822998 2 2.58430004 -200.15640259 2 3.75419998 85.98131561 1 1.13870001 32.24239349 0 12.47010040 6.45168209 I P 2 0.91109997 32.43734360 2 1.06579995 -101.57602692 2 1.38989997 169.25859070 2 1.79579997 -105.27653503 1 2.54789996 12.12060356 0 1.17250001 6.45733500 I D 2 0.86530000 3.41730189 2 0.89960003 -3.97894001 2 4.58720016 -37.31042862 2 5.52820015 77.44996643 1 22.20800018 18.01509857 0 19.14010048 6.86909294 Xe nelec 36 Xe ul 2 2.24699998 -2.98907089 2 6.12760019 -16.86190414 2 23.48080063 -80.85955811 1 72.73519897 -23.83045006 Xe S 2 1.24269998 36.93946457 2 1.45309997 -117.99051666 2 1.92760003 217.58146667 2 2.56839991 -132.93127441 1 3.60890007 13.86918831 0 2.81739998 7.20968485 Xe P 2 1.02950001 38.26582718 2 1.20910001 -120.96846008 2 1.59679997 217.59863281 2 2.10870004 -144.18939209 1 3.15689993 33.80591965 0 17.37170029 5.23532295 Xe D 2 2.25279999 -17.56745148 2 2.73140001 46.21330261 2 3.76239991 -80.85101318 2 5.32089996 97.02409363 1 8.73659992 -0.88147599 0 18.91500092 8.33844185 Cs nelec 46 Cs ul 2 0.93849999 -0.78916699 2 2.31629992 -8.42115784 2 6.00729990 -30.98544312 2 20.37969971 -95.03477478 1 59.32889938 -30.07960320 Cs S 2 1.38530004 42.85466766 2 1.63240004 -138.00901794 2 2.20580006 275.99960327 2 3.22149992 -280.45663452 2 4.64960003 199.82038879 1 15.15250015 27.73096657 0 19.00049973 3.76870608 Cs P 2 1.25950003 48.66250992 2 1.44169998 -145.70526123 2 1.87639999 264.46368408 2 2.65750003 -279.85159302 2 3.63870001 184.35585022 1 10.65320015 23.30001831 0 14.68060017 5.76792908 Cs D 2 0.76810002 34.86072540 2 0.87459999 -106.79302979 2 1.10769999 188.23532104 2 1.48230004 -217.63992310 2 1.92019999 137.74559021 1 6.21829987 34.42418671 0 17.38809967 7.19875193 Ba nelec 46 Ba ul 2 0.97610003 -0.88013703 2 2.66910005 -10.01861763 2 7.10550022 -35.70346451 2 24.84989929 -114.57715607 1 75.09850311 -30.99500656 Ba S 2 1.51549995 52.18550110 2 1.80079997 -166.64633179 2 2.46210003 336.98910522 2 3.64910007 -346.60510254 2 5.34859991 229.66429138 1 17.15789986 20.49417496 0 16.02389908 6.64949989 Ba P 2 1.35119998 61.51347351 2 1.55149996 -171.17402649 2 2.06870008 303.61636353 2 3.00740004 -324.12673950 2 4.23050022 210.71342468 1 14.21850014 19.11876488 0 13.10439968 5.84502220 Ba D 2 0.89740002 34.92659378 2 1.02090001 -109.23178864 2 1.28859997 196.23254395 2 1.73850000 -224.63766479 2 2.28509998 146.97143555 1 7.33769989 37.01747894 0 20.39410019 7.09744883 La nelec 46 La ul 2 1.30850005 -1.78271198 2 3.59450006 -15.01564884 2 9.54290009 -42.60580063 2 32.37649918 -141.34611511 1 100.62180328 -32.09997559 La S 2 1.63999999 57.45276260 2 1.92739999 -178.51110840 2 2.60120010 348.32040405 2 3.80599999 -348.10836792 2 5.52479982 238.82337952 1 17.20549965 21.93246651 0 16.66570091 6.68807220 La P 2 1.37989998 48.54993820 2 1.62790000 -154.24778748 2 2.21709990 313.21530151 2 3.29920006 -352.77603149 2 4.93240023 255.42198181 1 16.82349968 20.53687859 0 14.97049999 8.26657486 La D 2 0.94440001 37.32484817 2 1.08879995 -117.13645172 2 1.40939999 216.44523621 2 1.94959998 -252.23069763 2 2.63579988 168.61718750 1 9.00669956 41.21611023 0 25.81089973 6.93647718 Ce nelec 54 Ce ul 2 0.18850000 -0.31545401 2 0.69250000 -4.03798485 2 2.45420003 -20.49917410 2 9.75559997 -81.90377040 2 50.36529920 -294.86666900 1 141.28579700 -30.30850030 Ce S 2 0.62040001 87.62731930 2 0.75950003 -175.92492700 2 1.04569995 173.75613400 2 1.52219999 -118.99214900 2 2.23819995 80.98940270 2 8.08870029 -2.07819796 1 6.39750004 36.81498720 0 17.84670070 6.47752524 Ce P 2 0.48100001 73.16195680 2 0.54939997 -98.24731440 2 0.83929998 47.34008030 2 1.63699997 -20.87126540 2 2.63610005 44.86721040 2 5.01919985 18.21543310 1 8.89319992 37.83178710 0 24.34210010 5.46868611 Ce D 2 0.08600000 -0.01027300 2 0.84719998 -2.24907804 2 0.17870000 -0.02766900 2 1.88349998 98.89129640 2 2.53220010 -233.11683700 2 3.19779992 202.36198400 1 10.85770040 45.45883560 0 31.21439930 6.81029177 Pr nelec 54 Pr ul 2 0.18340001 -0.28507000 2 0.68919998 -3.78517199 2 2.42919993 -19.60263440 2 9.65989971 -80.29591370 2 50.57759860 -304.50256400 1 170.35189800 -35.10055160 Pr S 2 0.50809997 14.95254990 2 0.82110000 -43.42506030 2 1.07540000 73.12426760 2 1.57959998 -57.31110000 2 2.12700009 53.03722380 2 5.46960020 50.96369170 1 10.89529990 32.92785650 0 21.70459940 4.06864691 Pr P 2 0.50430000 53.97642520 2 0.64709997 -116.57189900 2 0.90820003 126.61888900 2 1.32930005 -89.15218350 2 1.97520006 62.60961530 2 6.69859982 -36.40468220 1 5.61110020 46.55743030 0 24.73170090 5.11101008 Pr D 2 0.15080000 -0.03509900 2 0.98780000 4.50882912 2 1.27530003 -52.60649110 2 1.64900005 153.83320600 2 2.35910010 -194.82063300 2 3.32590008 152.34256000 1 8.52200031 22.06917950 0 12.37780000 7.82782602 Nd nelec 54 Nd ul 2 0.18470000 -0.27911800 2 0.69959998 -3.64531303 2 2.42899990 -18.82904430 2 9.59739971 -78.47742460 2 49.50849920 -294.55139200 1 169.03700300 -36.00532530 Nd S 2 0.49700001 10.78615860 2 0.91939998 -32.80133440 2 1.18159997 64.46156310 2 1.66310000 -37.78273010 2 2.40739989 34.32389070 2 4.56169987 40.26707840 1 9.25269985 36.91546250 0 21.05220030 4.29324913 Nd P 2 0.50430000 42.02197270 2 0.66560000 -91.85214230 2 0.92790002 96.88398740 2 1.31359994 -43.81736380 2 2.66960001 43.62885670 2 4.85360003 6.82531881 1 7.76230002 37.60051350 0 23.10460090 5.58739185 Nd D 2 0.07540000 -0.00342300 2 0.27680001 -0.05969700 2 1.41349995 -29.56184010 2 1.88569999 153.39161700 2 2.57579994 -240.44110100 2 3.49640012 188.30503800 1 11.78209970 47.79472730 0 34.12229920 6.79056502 Pm nelec 54 Pm ul 2 0.18629999 -0.27581099 2 0.72170001 -3.67671704 2 2.52950001 -19.20204740 2 10.04810050 -80.51749420 2 51.84069830 -295.95886200 1 154.48420700 -32.22702030 Pm S 2 0.12690000 0.02899800 2 0.63349998 59.00218200 2 0.73229998 -79.18837740 2 1.05410004 43.98767090 2 3.92600012 36.28269960 2 4.81040001 30.94334980 1 13.42710020 29.88560490 0 6.61800003 5.22673082 Pm P 2 0.47749999 21.08691790 2 0.74510002 -63.05217740 2 1.02049994 87.14070130 2 1.54830003 -51.46301650 2 2.59549999 54.61180120 2 5.04430008 2.29255104 1 7.40789986 37.44199370 0 21.90730100 5.61524105 Pm D 2 0.43770000 -0.40402901 2 1.01680005 30.99323080 2 1.22340000 -96.03415680 2 1.65579999 168.40460200 2 2.43820000 -190.01771500 2 3.39700008 150.01397700 1 9.34249973 36.84980780 0 21.38209920 7.18157816 Sm nelec 54 Sm ul 2 0.18820000 -0.26969901 2 0.72750002 -3.51133609 2 2.50729990 -18.27518270 2 9.85939979 -77.45976250 2 49.69639970 -285.60421800 1 169.41960100 -36.69469070 Sm S 2 0.61189997 25.61621090 2 0.91939998 -70.77632140 2 1.21570003 38.24119190 2 1.22350001 52.45853040 2 1.94959998 -49.38473510 2 3.04640007 63.82088850 1 7.50869990 38.89189910 0 19.97680090 6.54664612 Sm P 2 0.51340002 29.42872240 2 0.73739999 -76.94017030 2 1.02600002 101.34484900 2 1.46430004 -58.27959440 2 2.55809999 50.80226900 2 7.50089979 -14.50483890 1 6.67859984 41.13980490 0 21.94910050 5.43980885 Sm D 2 0.79869998 -25.71501730 2 0.92199999 71.07156370 2 1.20060003 -118.19715900 2 1.68820000 185.11428800 2 2.45239997 -194.87985200 2 3.46329999 145.04307600 1 8.39239979 28.46022030 0 15.12339970 7.62672281 Eu nelec 54 Eu ul 2 0.19030000 -0.26617599 2 0.74500000 -3.49868703 2 2.58220005 -18.43297770 2 10.23359970 -79.26859280 2 52.61579900 -299.62655600 1 179.52040100 -36.39295960 Eu S 2 0.61290002 21.00108340 2 0.97149998 -57.80246350 2 1.30719996 43.95732500 2 1.34809995 46.48395540 2 1.94980001 -53.55662920 2 3.19490004 61.55118560 1 7.54370022 38.45267870 0 19.38649940 6.59646511 Eu P 2 0.51599997 24.56742290 2 0.78479999 -74.12057490 2 1.06200004 97.57618710 2 1.66129994 -63.95512010 2 2.54099989 63.80558400 2 3.76889992 1.47463000 1 7.31090021 38.17859650 0 21.53230100 5.62949991 Eu D 2 0.89880002 -33.31368260 2 1.02810001 90.53746030 2 1.32400000 -147.84429900 2 1.83800006 225.43699600 2 2.67449999 -234.19693000 2 3.81629992 171.55630500 1 9.48239994 26.45060160 0 14.85340020 7.73455191 Gd nelec 54 Gd ul 2 0.19360000 -0.26610100 2 0.76740003 -3.53136396 2 2.67459989 -18.72265050 2 10.69419960 -81.53036500 2 54.95180130 -300.74014300 1 168.31979400 -33.50960920 Gd S 2 0.62239999 19.09932330 2 1.01269996 -26.61323930 2 1.02670002 -26.27995870 2 1.38409996 82.21079250 2 2.11680007 -45.14988710 2 3.51329994 65.37348940 1 8.39589977 41.11628720 0 22.29739950 6.52553797 Gd P 2 0.53479999 26.62279320 2 0.79269999 -72.51585390 2 1.10570002 99.13574980 2 1.64199996 -65.45091250 2 2.63709998 63.48794560 2 4.77899981 -16.52910610 1 6.12379980 37.74343490 0 18.10639950 5.63271189 Gd D 2 0.94540000 -28.08826640 2 1.08700001 81.27649690 2 1.38240004 -135.07252500 2 1.91030002 202.14030500 2 2.79839993 -205.07235700 2 4.04769993 160.03721600 1 9.75979995 27.62781720 0 15.58259960 7.72167111 Tb nelec 54 Tb ul 2 0.19800000 -0.26984900 2 0.79670000 -3.62558699 2 2.80559993 -19.32910350 2 11.31449990 -84.83631890 2 58.80989840 -308.04827900 1 154.28930700 -29.42491720 Tb S 2 0.13300000 0.03446100 2 0.78710002 95.90180200 2 0.93940002 -172.62870800 2 1.21809995 111.80809800 2 2.20289993 -17.09731290 2 4.50530005 72.16942590 1 11.02239990 46.53331760 0 29.26510050 6.30115700 Tb P 2 0.54470003 25.06032560 2 0.82410002 -70.25512690 2 1.14540005 96.37406920 2 1.72200000 -61.05334470 2 2.80520010 63.21340180 2 4.27790022 -3.11191893 1 7.36959982 38.19372940 0 20.52960010 5.65808010 Tb D 2 0.98070002 -18.67657280 2 1.14110005 59.35923770 2 1.43460000 -102.18101500 2 1.99930000 161.22937000 2 2.94009996 -161.95156900 2 4.38520002 141.52011100 1 10.22750000 30.36456680 0 17.35890010 7.63114309 Dy nelec 54 Dy ul 2 0.19589999 -0.24610400 2 0.76220000 -3.12704992 2 2.58400011 -16.79536250 2 10.09679990 -73.63502500 2 48.73460010 -264.27121000 1 164.56170700 -37.48455430 Dy S 2 0.13990000 0.03927000 2 0.83789998 119.06783300 2 0.99059999 -201.71113600 2 1.47319996 230.92334000 2 1.91900003 -175.07632400 2 3.12389994 95.23589320 1 8.81739998 45.16174700 0 25.33569910 6.41383982 Dy P 2 0.56580001 27.72136120 2 0.83509999 -73.24303430 2 1.17279995 97.90841670 2 1.76390004 -65.15378570 2 2.75780010 62.79773330 2 3.79119992 0.42207801 1 7.19640017 36.59001160 0 18.36179920 5.73405981 Dy D 2 1.00370002 -21.80728910 2 1.14460003 57.27083970 2 1.49460006 -100.43373100 2 2.10730004 175.60334800 2 3.17759991 -185.86096200 2 4.87099981 168.78459200 1 12.15419960 25.64606860 0 15.88690000 7.84217119 Ho nelec 54 Ho ul 2 0.19880000 -0.24419101 2 0.77969998 -3.11587691 2 2.63420010 -16.65380860 2 10.26840020 -73.37957000 2 48.84769820 -258.84875500 1 162.01890600 -37.32218550 Ho S 2 0.14200001 0.04005300 2 0.86420000 123.58869200 2 1.02839994 -236.74517800 2 1.33249998 171.58247400 2 2.17129994 -54.66671370 2 4.00290012 80.29673000 1 10.56019970 47.89864350 0 28.76339910 6.27561522 Ho P 2 0.48590002 10.00089930 2 0.89020002 -18.15449910 2 1.39730001 4.20426417 2 1.40050006 42.85946280 2 2.07459998 -37.44625860 2 3.35479999 62.10699080 1 8.65760040 42.81314470 0 25.96680070 5.61891890 Ho D 2 1.04910004 -17.04135320 2 1.20220006 47.99711230 2 1.54100001 -84.43540190 2 2.18689990 149.89463800 2 3.33369994 -158.44630400 2 5.20219994 160.95439200 1 12.70359990 26.41877370 0 16.47439960 7.84279013 Er nelec 54 Er ul 2 0.20420000 -0.24749100 2 0.80059999 -3.12518692 2 2.70350003 -16.71219250 2 10.54500010 -73.93254850 2 50.36610030 -266.99044800 1 179.59350600 -39.54242710 Er S 2 0.14760000 0.04168000 2 0.88929999 118.45232400 2 1.06110001 -215.00274700 2 1.45819998 177.66186500 2 2.33829999 -124.16603900 2 3.34649992 118.82530200 1 9.93130016 50.10784910 0 31.89080050 6.37769508 Er P 2 0.49800000 10.00590610 2 0.99419999 -32.43202210 2 1.31599999 282.26181000 2 1.31579995 -224.79307600 2 2.20199990 -39.97660450 2 3.26659989 66.70326230 1 8.36079979 41.70607380 0 23.72389980 5.66391897 Er D 2 1.72560000 -10.52753640 2 1.74810004 -12.90994930 2 2.39429998 102.43170900 2 3.59179998 -124.21231100 2 5.86060000 165.57734700 2 10.48060040 -24.26627920 1 16.07609940 60.33625410 0 49.35649870 6.67504692 Tm nelec 54 Tm ul 2 0.20750000 -0.24459700 2 0.81089997 -3.04991007 2 2.71910000 -16.31619640 2 10.51509950 -71.80751800 2 46.68840030 -219.44210800 1 119.95919800 -32.14739230 Tm S 2 0.15210000 0.04336000 2 0.91829997 116.32991800 2 1.11269999 -230.19224600 2 1.52339995 228.38797000 2 2.18759990 -148.97734100 2 3.32069993 106.57288400 1 9.13409996 46.43137740 0 25.98240090 6.47452116 Tm P 2 0.12780000 0.03231000 2 0.63319999 112.35777300 2 0.66270000 -112.68846100 2 2.03090000 190.72164900 2 2.27940011 -206.54730200 2 3.92199993 99.58874510 1 10.70800020 40.48825460 0 21.23900030 5.48724222 Tm D 2 1.12740004 -10.80157280 2 1.28230000 29.62875560 2 1.63870001 -56.37639620 2 2.34240007 117.18654600 2 3.57110000 -119.45823700 2 5.80569983 146.09451300 1 13.21090030 29.72262000 0 18.70999910 7.77486515 Yb nelec 54 Yb ul 2 0.20919999 -0.23695500 2 0.81500000 -2.94540310 2 2.72350001 -15.92528720 2 10.49730020 -70.09550470 2 46.54999920 -228.63296500 1 145.14129600 -36.79430390 Yb S 2 0.14550000 0.03595000 2 0.91399997 114.44560200 2 1.06060004 -183.63880900 2 1.37839997 99.74138640 2 3.61319995 -6.33236122 2 5.37309981 78.99283600 1 11.38829990 42.97451780 0 24.75140000 6.56887198 Yb P 2 0.13959999 0.04724300 2 0.73640001 115.76213100 2 0.87620002 -227.08677700 2 1.18420005 213.08325200 2 1.63479996 -122.05501600 2 2.70499992 74.42581940 1 8.01939964 44.72285080 0 26.23830030 5.66238213 Yb D 2 0.11500000 0.00776900 2 1.80429995 -25.85315900 2 2.39470005 87.56867220 2 3.80189991 -93.73007200 2 6.20260000 151.94841000 2 11.57400040 -28.00010870 1 15.53549960 60.07494360 0 46.52880100 6.73838902 Lu nelec 54 Lu ul 2 0.25189999 -0.31990600 2 0.93210000 -3.15664697 2 2.93959999 -16.28186800 2 10.88259980 -69.33083340 2 46.68960190 -226.54129000 1 154.12980700 -38.74679190 Lu S 2 0.17810001 0.05339400 2 0.99000001 117.31488000 2 1.18410003 -227.90637200 2 1.55540001 207.11132800 2 2.13179994 -99.07708740 2 4.83319998 -36.54268270 1 3.05800009 54.19141770 0 17.84269910 3.64155197 Lu P 2 0.60970002 32.67243960 2 0.85030001 -78.01814270 2 1.20529997 100.01547200 2 1.77429998 -69.97026820 2 2.33669996 12.09111500 2 2.90009999 54.91968160 1 7.69759989 41.97269820 0 21.86129950 5.71504688 Lu D 2 0.22400001 0.08798900 2 0.92799997 -31.79989050 2 0.99860001 46.60775380 2 1.46200001 -41.07834250 2 2.50060010 150.61451700 2 3.25530005 -159.04402200 1 4.62179995 54.65802380 0 24.98469930 6.87314081 Hf nelec 60 Hf ul 2 0.77789998 -0.33688599 2 2.20149994 -5.75432682 2 5.79570007 -34.38175201 2 14.84070015 -89.85289001 2 52.10160065 -248.74275208 1 162.34359741 -44.91285324 Hf S 2 1.08210003 -0.64158797 2 2.54130006 55.41609955 2 3.23320007 -176.05253601 2 4.75519991 396.81842041 2 7.48320007 -353.61618042 2 12.02369976 329.38104248 1 35.47389984 27.30104828 0 30.75819969 6.73441696 Hf P 2 0.25839999 -0.03051100 2 1.89649999 5.96079922 2 3.19810009 -116.54636383 2 4.15119982 354.66134644 2 6.22959995 -346.44451904 2 9.52000046 286.48968506 1 24.88139915 42.98619461 0 47.12340164 5.40717411 Hf D 2 0.25630000 -0.01930300 2 1.74779999 41.46035004 2 2.02530003 -123.71736145 2 2.68670011 228.98324585 2 3.86759996 -253.25607300 2 5.61810017 217.21978760 1 13.09689999 27.25153923 0 18.43250084 7.88987684 Hf F 2 0.75269997 -29.21422958 2 0.83020002 84.13317108 2 0.98720002 -109.43501282 2 1.17200005 63.54305649 2 4.78700018 34.68389130 2 12.48890018 94.54371643 1 33.07509995 33.17300034 0 73.49960327 0.93162602 Ta nelec 60 Ta ul 2 0.97380000 -0.45041099 2 2.72210002 -7.63836813 2 7.14249992 -43.87855530 2 18.33259964 -97.77507019 2 63.04660034 -287.56149292 1 201.99899292 -46.50049973 Ta S 2 2.10870004 -40.60095978 2 2.46819997 126.83788300 2 3.29310012 -235.24430847 2 4.87939978 445.97167969 2 7.62050009 -389.18530273 2 12.02050018 355.67025757 1 35.52090073 28.51909828 0 30.82360077 6.77081203 Ta P 2 0.57340002 -0.09473200 2 2.51550007 59.86339188 2 3.03670001 -192.32298279 2 4.18940020 388.45581055 2 6.30660009 -359.23678589 2 9.71700001 300.74194336 1 25.63400078 34.81594086 0 34.21419907 5.73217821 Ta D 2 0.37210000 -0.03177600 2 1.78380001 37.44372940 2 2.09549999 -120.92505646 2 2.76589990 226.60716248 2 3.95749998 -243.61962891 2 5.68820000 210.83656311 1 15.65960026 53.84714890 0 43.08679962 6.98262882 Ta F 2 0.76929998 26.30927849 2 0.85350001 -63.06319427 2 1.00039995 55.48675537 2 1.13390005 -12.49588585 2 3.51349998 24.29885674 2 10.11849976 89.15798187 1 26.51479912 32.28345489 0 58.97980118 1.07911205 W nelec 60 W ul 2 1.16069996 -0.54709101 2 3.19729996 -9.24740410 2 8.38640022 -52.48021317 2 22.00390053 -106.44053650 2 73.78410339 -320.76925659 1 241.43850708 -47.99345398 W S 2 2.27020001 -39.29640198 2 2.63599992 124.15521240 2 3.46090007 -228.80580139 2 5.08890009 432.31655884 2 7.92360020 -361.88928223 2 12.65060043 357.38705444 1 35.13869858 30.99152946 0 32.79159927 6.80353212 W P 2 1.82889998 -31.35513878 2 2.16409993 103.97112274 2 2.87249994 -200.15911865 2 4.19990015 372.58468628 2 6.40469980 -344.03176880 2 9.77509975 300.36007690 1 25.06100082 36.69195175 0 34.81399918 5.78834915 W D 2 1.33169997 -24.22998619 2 1.55110002 75.06442261 2 2.06049991 -149.58029175 2 2.91930008 267.75427246 2 4.37589979 -291.28921509 2 6.54969978 253.97956848 1 16.10079956 26.81559563 0 20.45079994 7.90078878 W F 2 0.87849998 37.99953842 2 0.95969999 -73.81892395 2 1.22749996 102.53340149 2 1.33510005 -60.67398453 2 3.73200011 25.93541336 2 10.76949978 93.24456787 1 28.34440041 33.22473145 0 66.98750305 1.05253196 Re nelec 60 Re ul 2 1.34420002 -0.63006300 2 3.63630009 -10.51489067 2 9.45650005 -58.95209122 2 25.35820007 -115.01941681 2 83.40769959 -347.15853882 1 276.78070068 -49.26778412 Re S 2 2.36209989 -44.26672363 2 2.72939992 129.19606018 2 3.67540002 -242.92758179 2 5.53210020 501.74584961 2 8.98340034 -445.97048950 2 15.25590038 394.00692749 1 50.81330109 26.49606895 0 35.46549988 6.66976500 Re P 2 2.03469992 -40.03034592 2 2.35809994 126.64355469 2 3.05710006 -228.62715149 2 4.39909983 402.92218018 2 6.61850023 -364.56909180 2 10.01210022 314.11911011 1 25.28219986 41.13771057 0 38.69940186 5.77764893 Re D 2 1.33980000 -19.84150887 2 1.50170004 41.82987595 2 2.26449990 -115.67475128 2 3.06690001 256.13897705 2 4.50220013 -264.05648804 2 6.76459980 231.04666138 1 15.22159958 28.69319344 0 21.53820038 7.87635279 Re F 2 1.48140001 -69.01650238 2 1.68589997 172.23371887 2 2.11229992 -173.36340332 2 2.64039993 97.75544739 2 9.64130020 78.55423737 2 24.78100014 126.52191925 1 57.28340149 37.84556961 0 142.22329712 0.79649299 Os nelec 60 Os ul 2 1.53260005 -0.71941298 2 4.08620024 -11.78117943 2 10.54440022 -65.20819855 2 28.97459984 -124.69836426 2 93.63200378 -372.65100098 1 314.22119141 -50.55568314 Os S 2 2.42689991 -32.76930618 2 2.84459996 110.55011749 2 3.78419995 -222.00558472 2 5.72410011 473.63671875 2 9.26539993 -411.24047852 2 15.67440033 389.15637207 1 46.98600006 27.66662025 0 38.68320084 6.70742512 Os P 2 1.98339999 -33.74450302 2 2.31750011 107.94266510 2 3.07459998 -207.27871704 2 4.54629993 396.81192017 2 7.13530016 -384.67047119 2 11.63640022 398.63189697 1 33.21730041 26.76161575 0 28.84840012 9.74371719 Os D 2 1.52030003 -24.80944824 2 1.75339997 79.30261230 2 2.25880003 -148.69277954 2 3.16960001 251.07769775 2 4.66480017 -255.17108154 2 6.84849977 224.03025818 1 14.54829979 30.83857727 0 22.59539986 7.83259392 Os F 2 1.94879997 90.39373016 2 2.25889993 -196.83497620 2 2.92580009 215.51077271 2 4.02810001 -153.25781250 2 5.84280014 101.81298828 2 18.53650093 103.32333374 1 50.93960190 29.86117363 0 4.61829996 0.96181101 Ir nelec 60 Ir ul 2 1.70930004 -0.77600998 2 4.47060013 -12.55831528 2 11.48029995 -70.03989410 2 32.14350128 -133.59544373 2 102.84519959 -394.30059814 1 348.19989014 -51.70143127 Ir S 2 2.52270007 -28.48190117 2 2.95079994 98.51782227 2 3.92389989 -206.84092712 2 5.92140007 457.16946411 2 9.53390026 -384.66342163 2 16.08679962 389.39016724 1 46.95880127 28.70732689 0 39.62530136 6.73599482 Ir P 2 2.18729997 -32.93295670 2 2.54640007 108.04138947 2 3.35279989 -213.19577026 2 4.92460012 419.07299805 2 7.71029997 -382.39443970 2 12.32499981 340.84274292 1 33.08100128 51.53657913 0 63.94940186 5.29221916 Ir D 2 1.62119997 -32.97980499 2 1.84819996 92.38909149 2 2.43589997 -168.03038025 2 3.48830009 302.14080811 2 5.28469992 -324.87911987 2 8.07320023 295.09466553 1 20.40609932 27.30807304 0 23.80649948 7.89976501 Ir F 2 1.69110000 -62.39103699 2 1.98189998 210.25509644 2 2.63700008 -335.25369263 2 3.81979990 374.69042969 2 5.81199980 -257.36740112 2 9.10079956 215.63255310 1 21.42609978 34.77194977 0 35.98310089 4.84190178 Pt nelec 60 Pt ul 2 1.86479998 -0.81254202 2 4.83080006 -13.05292892 2 12.30449963 -73.72098541 2 34.86819839 -141.17144775 2 110.94640350 -412.57824707 1 378.44430542 -52.72452545 Pt S 2 2.60910010 -26.62452316 2 3.02920008 90.01412201 2 4.04290009 -193.86340332 2 6.07630014 432.62850952 2 9.83839989 -343.03793335 2 16.70409966 387.98568726 1 47.62310028 29.76094818 0 40.06890106 6.77873421 Pt P 2 2.31279993 -30.37420082 2 2.68169999 102.49530029 2 3.50119996 -205.28015137 2 5.13490009 412.87677002 2 8.00559998 -373.50769043 2 12.87129974 355.23352051 1 35.53670120 34.39381027 0 36.64830017 5.90135813 Pt D 2 1.38300002 -3.02787995 2 2.07049990 64.21149445 2 2.49049997 -146.10299683 2 3.67370009 266.61413574 2 5.48519993 -301.47027588 2 8.20989990 278.51043701 1 18.57180023 29.71852303 0 25.42099953 7.86891603 Pt F 2 1.86710000 -63.38943481 2 2.20180011 215.72419739 2 2.95210004 -333.95880127 2 4.37239981 368.06796265 2 6.78480005 -242.79386902 2 11.02280045 233.02484131 1 27.73590088 43.59355164 0 54.84930038 4.53264999 Au nelec 60 Au ul 2 2.07069993 -0.90820301 2 5.28779984 -13.97286034 2 13.28610039 -78.04593658 2 38.22499847 -150.67013550 2 120.82949829 -433.79324341 1 415.27328491 -53.92461777 Au S 2 2.81620002 -45.11843872 2 3.12030005 109.24782562 2 4.16239977 -184.75865173 2 6.38819981 436.13348389 2 10.11999989 -356.46279907 2 17.04649925 411.84240723 1 50.50329971 31.95258903 0 39.28239822 6.79167795 Au P 2 2.41569996 -30.62415695 2 2.79209995 101.11966705 2 3.67700005 -210.51446533 2 5.37360001 435.37313843 2 8.36999989 -396.14450073 2 13.32330036 368.87313843 1 37.15980148 31.59367371 0 37.42219925 5.83880520 Au D 2 1.87390006 -34.10911942 2 2.11870003 100.58750153 2 2.69359994 -172.30566406 2 3.81640005 290.82238770 2 5.69740009 -292.96429443 2 8.62959957 275.67791748 1 19.68020058 30.37005806 0 25.98660088 7.86203289 Au F 2 1.43149996 40.06137466 2 1.65450001 -128.38630676 2 2.16300011 247.77139282 2 3.08719993 -342.54879761 2 4.65740013 359.27548218 2 6.90420008 -182.27494812 1 10.14780045 53.49130630 0 47.02579880 4.28036213 Hg nelec 60 Hg ul 2 2.26189995 -0.94575602 2 5.61199999 -14.01616859 2 14.06490040 -81.47489166 2 40.92689896 -158.27243042 2 129.16789246 -451.69934082 1 447.18978882 -54.98525620 Hg S 2 2.83570004 -25.16012001 2 3.29949999 91.19132233 2 4.36730003 -201.98194885 2 6.54479980 454.72329712 2 10.36839962 -358.64822388 2 17.26539993 429.54168701 1 46.42380142 35.77702332 0 41.91410065 6.85280085 Hg P 2 2.49449992 -29.68764877 2 2.88730001 101.14541626 2 3.77839994 -208.31994629 2 5.53910017 427.21362305 2 8.60260010 -379.29605103 2 13.72500038 371.70361328 1 37.17200089 33.64100647 0 38.38690186 5.87053490 Hg D 2 1.86319995 -29.97778702 2 2.15249991 93.63288879 2 2.83509994 -181.20259094 2 4.11339998 337.58990479 2 6.33160019 -357.07931519 2 10.02639961 342.55819702 1 26.72430038 27.91793060 0 28.09569931 7.87457609 Hg F 2 1.55799997 41.19937897 2 1.81250000 -132.28570557 2 2.40109992 259.85302734 2 3.48460007 -360.87664795 2 5.36180019 376.67376709 2 8.20409966 -186.24418640 1 12.02680016 56.03879929 0 55.55799866 4.22023201 Tl nelec 68 Tl ul 2 1.19519997 -1.34873199 2 2.89350009 -12.12507439 2 8.53639984 -46.84831238 2 21.11890030 -132.31404114 2 73.16239929 -353.23205566 1 234.84640503 -54.14425659 Tl S 2 1.42610002 -65.46195221 2 1.68320000 240.87666321 2 2.26419997 -300.68020630 2 3.31500006 289.12060547 2 5.08090019 -171.55366516 2 8.30179977 187.69178772 1 19.37890053 60.62091064 0 49.92959976 6.36612511 Tl P 2 0.41980001 0.73091602 2 0.84420002 -53.19742966 2 1.02310002 161.73655701 2 1.37890005 -195.76748657 2 1.79400003 123.94181061 2 6.71549988 -14.75779915 1 6.24790001 42.29591370 0 15.58320045 5.98279095 Tl D 2 0.45490000 -0.18180600 2 1.51230001 -20.65077400 2 1.92780006 76.64604950 2 2.64680004 -154.50561523 2 3.99270010 277.98532104 2 5.95480013 -215.31889343 1 9.23589993 70.15950775 0 52.07260132 6.62988806 Tl F 2 0.31720001 33.37851334 2 0.30720001 -30.68026543 2 1.15460002 12.34751797 2 2.03200006 11.75374508 2 2.36389995 9.57233715 2 4.06909990 35.76709366 1 8.76599979 43.93479538 0 22.35759926 5.08869219 Pb nelec 68 Pb ul 2 1.30009997 -1.41434395 2 3.18720007 -13.28021622 2 9.54880047 -54.13752747 2 23.68409920 -138.12661743 2 81.04219818 -376.41168213 1 260.18218994 -54.85811996 Pb S 2 1.05130005 45.00151825 2 1.21360004 -142.81721497 2 1.59290004 280.33993530 2 2.27550006 -305.93109131 2 3.41589999 275.88833618 2 5.04549980 -126.19586945 1 8.10179996 58.64039612 0 29.92939949 6.27654600 Pb P 2 0.34459999 0.19562900 2 1.01220000 -60.52689743 2 1.21469998 201.29090881 2 1.65750003 -254.73730469 2 2.40109992 231.82109070 2 3.46830010 -120.33583069 1 4.71899986 43.35644531 0 14.24479961 5.93558693 Pb D 2 0.88599998 -1.35663700 2 2.42969990 49.74739456 2 3.09030008 -160.28633118 2 4.45060015 325.69772339 2 6.85960007 -339.07305908 2 10.51179981 199.77455139 1 8.92780018 40.33429718 0 30.41259956 7.63998222 Pb F 2 0.74299997 37.60541153 2 0.93489999 -24.43016624 2 0.93709999 -38.51657867 2 1.35049999 60.97928619 2 2.45320010 -10.03380680 2 3.99049997 52.05616760 1 8.44530010 39.91782379 0 19.77610016 5.47486877 Bi nelec 68 Bi ul 2 1.38310003 -1.29633200 2 3.38969994 -13.97006321 2 10.19880009 -57.20818710 2 25.27059937 -141.80029297 2 86.08190155 -390.70785522 1 277.96438599 -55.54542160 Bi S 2 1.12539995 55.90422821 2 1.28199995 -171.26004028 2 1.64119995 297.29568481 2 2.34890008 -320.79031372 2 3.33470011 287.28314209 2 4.86899996 -104.22640228 1 8.19460011 56.34839249 0 25.78339958 6.48098993 Bi P 2 0.20800000 0.03434800 2 1.11570001 -56.08747101 2 1.28740001 164.21267700 2 1.77660000 -197.05456543 2 2.40019989 155.65385437 2 4.85920000 -55.68730927 1 6.06729984 50.05516815 0 20.30240059 5.74898911 Bi D 2 1.70360005 -49.14233017 2 2.04159999 117.17475128 2 2.95609999 -186.97654724 2 4.60300016 353.28527832 2 7.35540009 -373.14822388 2 12.00380039 379.30261230 1 30.31959915 29.70112038 0 34.39179993 7.84041214 Bi F 2 0.59480000 104.19187927 2 0.69040000 -218.21029663 2 0.89520001 220.57954407 2 1.24119997 -170.08029175 2 1.67270005 108.73613739 2 4.99800014 46.86751938 1 9.57050037 42.52275085 0 20.95170021 5.20974779 Po nelec 68 Po ul 2 1.51339996 -1.45787299 2 3.67219996 -14.71360588 2 11.04430008 -62.38053894 2 27.63310051 -147.98703003 2 94.03929901 -416.04962158 1 308.29211426 -56.73604202 Po S 2 0.83230001 -30.03038788 2 0.94760001 96.16854858 2 1.20280004 -181.03051758 2 1.66719997 305.07928467 2 2.41849995 -303.26153564 2 3.38520002 193.48907471 1 11.98690033 59.07072830 0 38.50559998 6.37750721 Po P 2 0.65499997 -22.48581886 2 0.73460001 71.35298157 2 0.90689999 -130.56465149 2 1.21190000 214.88987732 2 1.68499994 -221.69078064 2 2.27480006 143.38671875 1 8.02330017 45.49112320 0 19.25239944 6.19466209 Po D 2 0.76300001 -7.33783579 2 0.88559997 25.26849174 2 1.14789999 -52.30345917 2 1.61360002 87.85886383 2 2.38429999 -140.93832397 2 3.38560009 145.23880005 1 15.32299995 28.62387466 0 13.38679981 7.73479319 Po F 2 0.69440001 9.20586109 2 0.78090000 -28.85299873 2 0.96869999 52.88306808 2 1.28680003 -85.14630890 2 1.77709997 124.28939819 2 2.38439989 -116.73908997 1 2.82629991 38.18548203 0 14.08730030 5.00899792 At nelec 68 At ul 2 0.03180000 -0.31176600 2 0.18099999 -0.73071098 2 1.08060002 -2.97282290 2 4.99060011 -32.68309402 2 20.39839935 -164.79605103 1 81.91079712 -51.18941498 At S 2 0.00200000 0.00341100 2 0.03100000 0.30304900 2 0.17010000 0.69335699 2 1.76409996 41.97618484 2 5.54829979 58.09056473 2 9.53069973 3.23042393 1 10.47630024 38.14316940 0 15.64519978 7.18064022 At P 2 0.03170000 0.31012201 2 0.17670000 0.71845901 2 1.51250005 55.89923096 2 2.18499994 -49.86803818 2 3.99130011 75.92673492 2 4.55789995 -0.51495600 1 11.17259979 51.50535202 0 31.24390030 5.78414392 At D 2 0.03190000 0.31432700 2 0.19059999 0.79817301 2 1.82609999 12.21004009 2 2.64429998 -38.19544220 2 4.57380009 113.45125580 2 8.54640007 -32.16876984 1 16.26619911 69.49798584 0 67.92829895 7.07968616 At F 2 0.03780000 0.36805499 2 0.18050000 1.64947903 2 0.92019999 14.43013954 2 2.18230009 17.18401146 2 3.96090007 94.00454712 2 5.98220015 -110.99547577 1 5.49179983 81.44644165 0 0.08980000 9.42089081 Rn nelec 68 Rn ul 2 1.65950000 -1.11443496 2 4.21479988 -17.17100143 2 13.02740002 -74.57586670 2 33.21269989 -161.65777588 2 111.38510132 -466.10955811 1 373.93679810 -59.22294235 Rn S 2 0.02280000 0.00817300 2 1.46410000 23.55170059 2 1.70050001 146.60008240 2 1.52970004 -114.77574158 2 3.63899994 -23.55697250 2 8.39480019 74.31896973 1 8.56000042 31.09328651 0 20.74449921 7.87248802 Rn P 2 0.26650000 0.05306900 2 1.38469994 -54.25381851 2 1.69739997 240.12178040 2 2.25480008 -300.78848267 2 3.34669995 261.49554443 2 4.87270021 -114.78035736 1 8.12670040 52.48627472 0 26.43040085 5.68981314 Rn D 2 2.29049993 -56.26292419 2 2.72210002 148.12635803 2 3.67820001 -236.51480103 2 5.54939985 425.46905518 2 8.97550011 -427.86010742 2 15.54349995 468.46737671 1 47.95439911 29.30323219 0 40.16630173 7.79323196 Rn F 2 0.15279999 2.29281402 2 0.58080000 13.14621830 2 1.35189998 0.83706897 2 1.98010004 49.71719360 2 2.03579998 4.64372921 2 4.89839983 147.32864380 1 10.49590015 99.77916718 0 22.45910072 7.89272690 Fr nelec 78 Fr ul 2 0.88870001 -0.89879203 2 2.02189994 -10.09708691 2 4.90730000 -31.60297394 2 15.12580013 -120.95409393 2 45.64889908 -265.95950317 1 138.01640320 -57.15474319 Fr S 2 0.91130000 -33.04865646 2 1.05540001 99.33948517 2 1.38150001 -183.16125488 2 1.99930000 331.93963623 2 3.06850004 -353.79605103 2 4.69530010 270.63644409 1 14.47799969 30.28211212 0 12.93210030 11.24650669 Fr P 2 1.47309995 -78.13166809 2 1.79939997 278.22503662 2 2.51900005 -349.11547852 2 3.78139997 318.36791992 2 5.86429977 -181.44857788 2 9.54720020 183.82826233 1 20.55660057 51.52063751 0 45.63219833 5.67256212 Fr D 2 0.91380000 -53.33285141 2 1.06050003 183.93737793 2 1.39680004 -259.36651611 2 2.00209999 260.49545288 2 3.00699997 -166.65827942 2 4.65070009 140.39550781 1 13.49240017 66.17495728 0 41.66809845 7.23944521 Fr F 2 1.07920003 -11.07681656 2 1.40100002 46.05147552 2 1.89979994 -97.47564697 2 2.86960006 180.38792419 2 4.46210003 -262.32742310 2 7.10710001 297.45623779 1 21.98730087 27.28302383 0 19.46669960 9.93384647 Ra nelec 78 Ra ul 2 1.02110004 -1.14673400 2 2.33030009 -12.07713222 2 5.71700001 -35.34965134 2 17.22739983 -135.56118774 2 53.49580002 -295.28918457 1 161.11909485 -58.24514008 Ra S 2 0.78680003 -25.06594467 2 0.94749999 81.25407410 2 1.31900001 -164.93606567 2 2.06419992 336.00671387 2 3.47370005 -412.40322876 2 6.25019979 435.14797974 1 23.50049973 39.21112061 0 19.61120033 15.50083256 Ra P 2 1.58039999 -73.69863892 2 1.94050002 280.92184448 2 2.70449996 -357.36761475 2 4.08209991 335.35665894 2 6.39729977 -183.73077393 2 10.23750019 195.09538269 1 18.74060059 45.13964462 0 33.47719955 7.23854303 Ra D 2 1.00759995 -53.52696228 2 1.17990005 190.84431458 2 1.56289995 -261.43304443 2 2.27600002 258.68441772 2 3.43030000 -159.79736328 2 5.27850008 136.84912109 1 12.86940002 56.20154953 0 30.29739952 7.48619318 Ra F 2 0.85030001 -1.44440401 2 1.72609997 34.48142242 2 2.19359994 -96.37539673 2 3.27309990 186.22872925 2 5.12659979 -263.07485962 2 8.45429993 323.78308105 1 26.79529953 27.88471031 0 22.44179916 9.85942745 Ac nelec 78 Ac ul 2 1.11780000 -1.20669997 2 2.49180007 -12.14964867 2 5.99900007 -36.28235626 2 18.06710052 -139.70959473 2 56.65689850 -308.30279541 1 171.80650330 -58.80256653 Ac S 2 0.97649997 -22.83414078 2 1.16690004 85.36679077 2 1.54069996 -184.32901001 2 2.26390004 361.85287476 2 3.54769993 -391.65957642 2 5.63149977 311.78582764 1 16.93210030 31.91579056 0 15.99460030 11.15847778 Ac P 2 1.28699994 41.84874725 2 1.48230004 -150.01193237 2 1.94239998 335.78051758 2 2.79509997 -384.57653809 2 4.23729992 335.67944336 2 6.32700014 -153.28929138 1 9.92879963 59.26359940 0 36.35929871 5.42515993 Ac D 2 0.75120002 43.26000214 2 0.86790001 -138.38842773 2 1.12769997 263.83312988 2 1.58729994 -327.39425659 2 2.32139993 305.68560791 2 3.33249998 -145.50318909 1 4.73500013 48.99058914 0 15.27309990 7.83579922 Ac F 2 0.99159998 -2.29345989 2 1.79879999 34.95658493 2 2.35899997 -103.22103882 2 3.49049997 202.08523560 2 5.48509979 -281.09320068 2 8.97290039 342.86886597 1 27.43889999 27.73361969 0 23.89990044 9.87891960 Th nelec 78 Th ul 2 1.20299995 -1.18738997 2 2.65759993 -12.30656910 2 6.24800014 -36.65875244 2 18.62809944 -139.81327820 2 57.40290070 -305.43923950 1 172.54620361 -58.70189667 Th S 2 0.90810001 -24.04182243 2 1.07920003 78.38962555 2 1.47860003 -161.65811157 2 2.26749992 328.75106812 2 3.71530008 -374.78945923 2 6.41309977 391.01895142 1 21.16460037 35.13041687 0 17.85589981 15.77670383 Th P 2 1.26510000 45.82766724 2 1.49430001 -167.06277466 2 2.00500011 368.67584229 2 2.97460008 -433.55191040 2 4.72440004 400.28353882 2 7.69339991 -169.12930298 1 12.33460045 85.87816620 0 51.79029846 8.52397919 Th D 2 0.78079998 29.37446976 2 0.93570000 -120.37606049 2 1.21609998 259.13232422 2 1.72160006 -321.52166748 2 2.54830003 304.66244507 2 3.69059992 -143.89175415 1 5.41249990 51.10453033 0 17.09110069 7.74334002 Th F 2 1.41310000 -21.65902138 2 1.74030006 65.11306000 2 2.43449998 -122.52014923 2 3.69120002 218.33807373 2 5.90170002 -291.18447876 2 9.87790012 367.08728027 1 30.56329918 28.42512512 0 26.41230011 9.84213829 Pa nelec 78 Pa ul 2 1.27950001 -1.13092303 2 2.83470011 -12.63854885 2 6.52720022 -37.00111771 2 19.20420074 -139.85595703 2 58.46409988 -306.96585083 1 176.57690430 -59.04650879 Pa S 2 0.96829998 -24.29222107 2 1.14800000 80.66983032 2 1.55799997 -165.70108032 2 2.36789989 329.73165894 2 3.83089995 -360.00137329 2 6.47319984 372.31121826 1 20.25769997 33.68949509 0 17.12579918 15.89577580 Pa P 2 1.38759995 57.45444107 2 1.61860001 -192.87774658 2 2.17269993 420.92343140 2 3.20580006 -519.91271973 2 5.03020000 509.81158447 2 7.85659981 -216.13882446 1 13.11429977 96.05680847 0 54.46849823 9.86869431 Pa D 2 0.85420001 29.77106667 2 1.03989995 -151.98701477 2 1.29579997 298.67770386 2 1.82229996 -310.10202026 2 2.77440000 295.44259644 2 3.91989994 -152.87329102 1 5.65369987 52.50298691 0 17.96859932 7.72490215 Pa F 2 1.62249994 -32.19529724 2 1.94340003 88.89807892 2 2.66190004 -149.84609985 2 3.99289989 249.73576355 2 6.34350014 -320.78536987 2 10.56330013 394.20562744 1 32.51839828 28.40286064 0 28.10650063 9.84354782 U nelec 78 U ul 2 1.22290003 -0.95164698 2 2.67100000 -10.77463818 2 6.10900021 -33.54887009 2 17.91930008 -122.39160919 2 49.88119888 -256.04879761 2 169.55189514 -721.33471680 1 605.90167236 -75.18030548 U S 2 2.08200002 86.94699860 2 2.36159992 -324.48245239 2 3.04959989 754.80963135 2 4.28889990 -931.61145020 2 6.36810017 867.38934326 2 9.73639965 -567.78674316 2 15.35929966 467.56951904 1 43.85210037 87.23509216 0 131.51210022 6.00922394 U P 2 1.55610001 109.52915955 2 1.77209997 -372.34240723 2 2.25839996 760.67779541 2 3.09450006 -945.12261963 2 4.51030016 906.44946289 2 6.71129990 -618.62194824 2 10.01770020 434.29833984 1 28.29829979 96.91146851 0 89.10600281 8.63370800 U D 2 1.03709996 98.69554901 2 1.17840004 -348.77438354 2 1.44579995 647.68463135 2 1.91680002 -796.75195312 2 2.65330005 775.70019531 2 3.74600005 -576.68280029 2 5.03719997 328.07855225 1 15.92879963 70.24051666 0 48.05899811 7.22914982 U F 2 0.90359998 -0.77639502 2 2.84689999 64.14081573 2 3.67079997 -301.19494629 2 4.89400005 617.67492676 2 7.39130020 -840.64794922 2 11.65960026 1010.84838867 2 18.25749969 -503.98593140 1 28.92289925 116.52574158 0 137.56460571 8.05050755 Np nelec 78 Np ul 2 1.16480005 -0.59611499 2 2.50749993 -8.56580639 2 5.64090013 -30.77449989 2 16.30699921 -101.92440033 2 42.56740189 -227.16531372 2 143.51150513 -631.36932373 1 490.29238892 -71.25617981 Np S 2 2.21970010 163.53736877 2 2.41639996 -407.81634521 2 3.12549996 733.90496826 2 4.42549992 -892.30194092 2 6.40640020 787.23022461 2 10.66429996 -517.18475342 2 16.00900078 524.23852539 1 49.05659866 98.42464447 0 168.13330078 5.98039103 Np P 2 1.61839998 115.25938416 2 1.83500004 -379.42489624 2 2.32730007 740.25213623 2 3.19989991 -907.79357910 2 4.62799978 882.03515625 2 6.85830021 -598.22576904 2 10.20699978 426.77703857 1 28.45260048 97.61193085 0 89.37139893 8.64615154 Np D 2 1.11280000 126.47127533 2 1.25590003 -397.60015869 2 1.56729996 716.23443604 2 2.11560011 -891.56164551 2 3.01139998 872.76300049 2 4.34480000 -641.78558350 2 6.03599977 368.73754883 1 19.41950035 76.54608917 0 62.30830002 7.11474991 Np F 2 0.98909998 -0.98151898 2 2.71499991 41.70447922 2 3.74250007 -261.12640381 2 4.93669987 560.24981689 2 7.59490013 -803.19482422 2 11.83139992 1050.93518066 2 17.86820030 -540.55218506 1 28.38409996 114.44293976 0 130.11839294 8.04148579 Pu nelec 78 Pu ul 2 1.31490004 -0.88483602 2 2.85489988 -10.61913300 2 6.45160007 -33.61550522 2 18.74729919 -120.75714111 2 51.15800095 -256.49505615 2 173.26420593 -725.57281494 1 617.64038086 -75.82495117 Pu S 2 2.21939993 88.92472839 2 2.51889992 -330.37750244 2 3.23670006 750.95227051 2 4.51700020 -908.51391602 2 6.62480021 873.33062744 2 10.00730038 -567.66186523 2 15.32999992 466.55908203 1 39.74290085 83.55030060 0 107.35160065 6.17316198 Pu P 2 1.64100003 151.63360596 2 1.78100002 -307.76840210 2 2.42759991 556.88562012 2 3.38750005 -860.99200439 2 4.67859983 879.28405762 2 6.86380005 -487.93322754 2 10.95189953 359.29550171 1 29.43799973 99.86724854 0 93.42259979 8.64875412 Pu D 2 1.15670002 118.47415161 2 1.31159997 -396.36349487 2 1.61979997 706.21350098 2 2.19190001 -875.85577393 2 3.07089996 863.94415283 2 4.36579990 -574.99090576 2 6.33850002 318.59259033 1 20.19569969 79.30906677 0 67.26270294 7.11830807 Pu F 2 1.11049998 -1.48127198 2 2.80390000 162.76635742 2 3.11529994 -264.43045044 2 5.01070023 369.88125610 2 7.77769995 -704.01580811 2 11.78960037 971.67071533 2 17.65460014 -443.89147949 1 29.48049927 108.53334045 0 120.29889679 8.09724331 Am nelec 78 Am ul 2 1.44700003 -1.17866504 2 3.21869993 -13.27001476 2 7.59910011 -39.10317993 2 22.65139961 -155.02056885 2 71.29299927 -354.33300781 1 220.40229797 -61.31810379 Am S 2 1.09730005 -28.39175415 2 1.29470003 84.97696686 2 1.80130005 -171.02401733 2 2.78760004 357.06427002 2 4.60900021 -387.68786621 2 8.16489983 441.84158325 1 26.83819962 35.83626938 0 21.21400070 15.82378292 Am P 2 1.70260000 64.26541138 2 1.94879997 -210.60380554 2 2.54539990 442.71279907 2 3.65510011 -492.18869019 2 5.55019999 437.84417725 2 8.03429985 -168.01190186 1 14.14560032 70.56053925 0 48.91350174 6.54860497 Am D 2 0.92580003 28.79652405 2 1.11629999 -105.51664734 2 1.49710000 221.98576355 2 2.19849992 -264.26501465 2 3.37220001 261.34280396 2 5.19850016 -110.51098633 1 7.96210003 57.14907837 0 24.13820076 7.61405420 Am F 2 1.24930000 -2.47670388 2 2.41829991 37.72669983 2 3.24990010 -114.31232452 2 4.97840023 236.72572327 2 8.13679981 -310.35437012 2 14.51039982 466.90872192 1 44.86399841 30.38970375 0 38.13169861 9.76973534 Cm nelec 78 Cm ul 2 1.54879999 -1.27089500 2 3.41910005 -13.83742809 2 8.07050037 -40.88765335 2 23.85969925 -160.03480530 2 75.01390076 -364.42514038 1 231.42030334 -61.78550720 Cm S 2 1.15559995 -26.33760071 2 1.37430000 85.68217468 2 1.88199997 -174.58818054 2 2.89520001 355.67098999 2 4.74020004 -370.72149658 2 8.27089977 423.92636108 1 25.20420074 35.04350281 0 21.01460075 15.92432594 Cm P 2 1.12440002 -35.03964233 2 1.29729998 113.44233704 2 1.68669999 -223.71525574 2 2.41960001 424.26696777 2 3.68249989 -484.90432739 2 5.54580021 375.64773560 1 17.95700073 33.73357773 0 16.02359962 11.89339828 Cm D 2 1.00460005 39.77001572 2 1.18710005 -126.65122223 2 1.60969996 255.05882263 2 2.36179996 -305.24252319 2 3.64210010 300.05279541 2 5.57789993 -129.08760071 1 8.67679977 60.35084152 0 27.02840042 7.49130201 Cm F 2 1.30649996 -2.70642400 2 2.45950007 37.51979065 2 3.30599999 -111.37210846 2 5.06689978 228.42926025 2 8.23499966 -297.12841797 2 14.63000011 458.37960815 1 44.62329864 30.03723907 0 37.61240005 9.80161095 Bk nelec 78 Bk ul 2 1.77400005 -1.91033494 2 4.02939987 -18.14081764 2 9.97329998 -49.25227356 2 28.40850067 -186.21107483 2 94.63580322 -442.21273804 1 300.05819702 -64.78657532 Bk S 2 1.79050004 52.19206619 2 2.20539999 -186.36035156 2 3.21810007 92.78298950 2 3.21900010 334.95520020 2 5.33370018 -465.58764648 2 10.14509964 553.61657715 1 23.30200005 29.15875244 0 31.06459999 16.74713707 Bk P 2 1.84089994 51.22914124 2 2.15310001 -181.65086365 2 2.89759994 443.10906982 2 4.39190006 -565.48089600 2 7.07049990 596.35418701 2 11.38609982 -236.82652283 1 19.07290077 111.00143433 0 78.96360016 9.82366085 Bk D 2 1.07249999 38.53779602 2 1.27520001 -128.37193298 2 1.72510004 265.80664062 2 2.52390003 -312.57681274 2 3.89089990 306.93249512 2 5.89279985 -127.93990326 1 9.33549976 61.20502853 0 28.41810036 7.49189091 Bk F 2 1.33210003 -2.38182592 2 2.63820004 37.63102341 2 3.53020000 -112.93108368 2 5.43610001 235.85006714 2 8.95960045 -315.54455566 2 15.72469997 493.09857178 1 45.85969925 30.15993309 0 41.15259933 9.81385136 Cf nelec 78 Cf ul 2 1.32210000 -0.50920300 2 2.92840000 -9.07029400 2 6.41590000 -29.63190800 2 19.52750000 -111.32206800 2 51.35090000 -244.55761100 2 167.52470000 -672.99549100 1 569.31110000 -74.28296700 Cf S 2 0.93910000 21.62913500 2 1.08970000 -67.09482600 2 1.44430000 127.61074100 2 2.07840000 -228.94999900 2 3.22430000 437.43743300 2 5.27740000 -441.10959600 2 8.85700000 399.18011600 1 27.07710000 34.14127600 0 22.79630000 11.14332800 Cf P 2 1.88630000 71.30982000 2 2.14750000 -230.91244300 2 2.76880000 472.57515100 2 3.88500000 -510.34304900 2 5.72820000 457.48940600 2 8.60310000 -256.23917600 2 13.28650000 230.53828700 1 25.65160000 53.28375400 0 50.66700000 5.88097000 Cf D 2 0.85760000 14.96793200 2 1.07280000 -59.47505800 2 1.49290000 142.76761100 2 2.22650000 -170.05118600 2 3.52560000 191.19231900 2 5.70040000 -73.97872400 2 10.19010000 160.67285600 1 23.38290000 75.74962100 0 64.85440000 7.24240600 Cf F 2 0.45060000 -0.04242600 2 2.07730000 -29.36593300 2 2.57030000 87.08696600 2 3.63740000 -156.04595400 2 5.70240000 276.89875500 2 9.59750000 -341.93556900 2 17.74720000 542.38237200 1 66.24380000 30.75042700 0 42.51790000 9.69840400 Es nelec 78 Es ul 2 1.35410000 -0.45818400 2 3.00010000 -9.00220400 2 6.55930000 -29.71855200 2 19.02420000 -101.17071200 2 47.81840000 -230.26446300 2 153.30990000 -618.85299200 1 504.42180000 -72.00591200 Es S 2 0.81800000 17.09536100 2 0.97270000 -56.04752700 2 1.32060000 109.28520300 2 1.97060000 -199.28535900 2 3.19470000 400.30958600 2 5.45380000 -427.84875200 2 10.13670000 528.01247900 1 33.62150000 37.07364000 0 26.58400000 15.83560400 Es P 2 1.96650000 25.22753800 2 2.42100000 -148.67405600 2 3.14050000 472.02380800 2 4.35720000 -568.03652400 2 6.54010000 518.45746600 2 9.44610000 -232.01240200 2 16.15740000 218.09704700 1 25.87210000 51.48757400 0 46.89340000 7.28006400 Es D 2 0.94280000 17.32041900 2 1.18290000 -73.97994700 2 1.61710000 177.99999000 2 2.38830000 -215.93671700 2 3.71790000 236.61384300 2 5.93980000 -106.48686300 2 10.46410000 187.28734700 1 26.04500000 83.46146000 0 79.43010000 7.12972200 Es F 2 1.47340000 -3.33437500 2 0.35520000 -0.01647900 2 2.32710000 14.33312900 2 4.13940000 -91.47424900 2 6.04900000 257.58622300 2 9.76870000 -329.91314100 2 17.97760000 534.66465600 1 57.46590000 30.30674700 0 44.99410000 9.78402800 Fm nelec 78 Fm ul 2 1.42430000 -0.47688000 2 3.17420000 -9.65045800 2 7.00880000 -31.30027100 2 20.20240000 -108.16796700 2 51.52010000 -243.55068400 2 166.90980000 -663.75837400 1 562.63360000 -74.39602700 Fm S 2 0.87420000 17.87223800 2 1.03500000 -58.17970100 2 1.39850000 113.69274400 2 2.06460000 -205.06756000 2 3.32320000 405.87689800 2 5.61920000 -422.15193400 2 10.33550000 530.60000900 1 37.46630000 165.32947800 0 144.00430000 13.47422800 Fm P 2 2.02780000 92.70574700 2 2.31600000 -283.98005500 2 3.02940000 546.13950200 2 4.47760000 -625.89357300 2 6.83090000 617.95587100 2 10.41650000 -377.51243100 2 16.20760000 343.99956200 1 30.00850000 47.20514000 0 47.74710000 7.31947100 Fm D 2 1.04880000 31.17025000 2 1.26010000 -104.39544300 2 1.72800000 219.99891800 2 2.56680000 -262.30912400 2 4.03910000 278.67403100 2 6.52610000 -127.09169800 2 11.73980000 217.19310000 1 29.48860000 87.75571000 0 91.70940000 7.09124900 Fm F 2 0.98420000 8.95198300 2 0.99150000 -9.83934500 2 2.76910000 14.61701500 2 4.14380000 -83.21524500 2 6.18970000 235.60780200 2 9.82350000 -294.49790500 2 18.50570000 516.19121300 1 53.52900000 30.71112400 0 47.11880000 9.82504800 Md nelec 78 Md ul 2 1.50940000 -0.51814700 2 3.38370000 -10.51159500 2 7.54660000 -33.23359800 2 21.72690000 -116.77515500 2 55.66500000 -253.26612500 2 178.88520000 -694.26614500 1 608.24480000 -76.10875900 Md S 2 0.81010000 18.06563900 2 0.97250000 -57.84703200 2 1.35230000 113.30017400 2 2.06400000 -207.97640500 2 3.47400000 437.42790100 2 6.14040000 -486.45306200 2 12.39910000 660.98754900 1 39.11420000 112.82283700 0 79.46650000 13.79204100 Md P 2 2.07640000 74.34499200 2 2.38750000 -243.08395400 2 3.12940000 510.48954500 2 4.48550000 -544.82365000 2 6.76630000 474.39257800 2 10.43670000 -251.89443100 2 16.85480000 274.94329800 1 31.48850000 50.25319500 0 54.97700000 5.96598200 Md D 2 1.13150000 34.71207500 2 1.35270000 -114.24942600 2 1.85180000 241.00749800 2 2.73360000 -285.59445100 2 4.27640000 299.67349400 2 6.86270000 -140.45565500 2 12.05000000 224.20521000 1 29.69270000 86.75264600 0 89.154900000 7.10513000 Md F 2 1.09800000 8.44654700 2 1.10570000 -9.54148000 2 3.12310000 37.48604200 2 3.91890000 -92.11651700 2 6.59970000 219.07771500 2 10.76900000 -302.16148200 2 19.90430000 552.61173700 1 64.41130000 28.37933700 0 46.46340000 9.84948500 No nelec 78 No ul 2 2.02789998 -1.75959897 2 4.57170010 -19.19492912 2 11.58650017 -50.64709091 2 33.05160141 -200.09509277 2 110.28289795 -486.48617554 1 356.88180542 -67.62830353 No S 2 0.94800001 -5.24792719 2 1.45229995 53.06208420 2 1.93630004 -117.28907776 2 3.56380010 306.65054321 2 6.03779984 -331.41055298 1 9.50010014 128.60786438 0 49.94449997 12.21696186 No P 2 1.48730004 -38.58179855 2 1.71399999 127.71244049 2 2.21630001 -256.02554321 2 3.18919992 525.35491943 2 4.90679979 -633.99108887 2 7.49809980 508.19781494 1 24.33909988 36.28185272 0 21.45919991 11.82044506 No D 2 1.21459997 42.61248398 2 1.45009995 -141.19110107 2 1.97140002 286.28744507 2 2.94039989 -338.34857178 2 4.58269978 343.32589722 2 7.18160009 -140.28236389 1 11.16399956 66.82376099 0 34.78409958 7.40976000 No F 2 1.18110001 0.17846601 2 0.78350002 -0.33072501 2 5.19530010 -67.09947968 2 6.89720011 216.27134705 2 11.00150013 -237.39591980 1 17.62080002 104.37260437 0 102.36190033 8.08529472 Lr nelec 78 Lr ul 2 2.02850008 -1.44170296 2 4.39300013 -15.03919792 2 9.83810043 -39.65955353 2 28.35020065 -161.56266785 2 82.61139679 -360.18804932 1 250.89920044 -62.81684494 Lr S 2 2.16720009 49.13726425 2 2.72460008 -191.04298401 2 4.01079988 209.44651794 2 4.01510000 260.47091675 2 6.69960022 -488.95681763 2 13.21790028 658.06842041 1 36.08919907 43.20983887 0 40.45830154 15.95556164 Lr P 2 1.34739995 -7.35526609 2 1.55369997 28.43832397 2 2.02690005 -66.70023346 2 3.07389998 186.59317017 2 5.02370024 -142.15013123 2 8.87870026 190.02313232 1 20.10149956 43.40534973 0 27.58690071 7.59309292 Lr D 2 1.19560003 35.04140091 2 1.42390001 -113.56825256 2 1.93990004 235.13388062 2 2.83879995 -271.48348999 2 4.37580013 282.18148804 2 6.63329983 -105.98326874 1 10.27820015 59.50698853 0 28.45750046 7.74769497 Lr F 2 2.03099990 -9.85134220 2 2.98690009 60.02737427 2 4.02019978 -125.03877258 2 6.56209993 224.62619019 2 11.02750015 -251.34989929 1 17.35169983 106.51850891 0 109.06250000 8.20704937 Rf nelec 78 Rf ul 2 2.43889999 -2.84647894 2 5.65530014 -24.32130623 2 14.86760044 -62.58427811 2 39.85359955 -222.37461853 2 134.05610657 -559.87597656 1 442.39248657 -71.08827209 Rf S 2 2.05850005 27.63749695 2 2.81570005 -159.92864990 2 4.14949989 464.69747925 2 6.79790020 -257.03799438 2 6.96570015 -254.11953735 2 12.64780045 645.65393066 1 35.79019928 48.39641953 0 37.88299942 15.58677387 Rf P 2 1.50100005 -37.39392471 2 1.72730005 124.29187012 2 2.22399998 -244.90409851 2 3.16409993 457.41149902 2 4.76070023 -468.09768677 2 7.09889984 358.42391968 1 19.36350060 37.59420776 0 20.90299988 10.34176540 Rf D 2 1.31180000 46.79716110 2 1.56120002 -150.72276306 2 2.13290000 307.92691040 2 3.17470002 -363.82125854 2 5.00019979 368.26293945 2 7.88009977 -149.46267700 1 12.47809982 70.91462708 0 40.45050049 7.34488821 Rf F 2 2.28500009 -17.42877769 2 3.02769995 62.13978195 2 4.40070009 -133.33135986 2 7.09579992 279.47354126 2 11.78419971 -341.90261841 2 22.13360023 612.21704102 1 57.55149841 31.49756622 0 58.81669998 9.87949371 Db nelec 78 Db ul 2 2.06940007 -1.07285404 2 4.51529980 -14.62715435 2 10.55370045 -44.91066742 2 31.70940018 -184.39710999 2 100.32019806 -437.04626465 1 319.04220581 -66.31877136 Db S 2 0.80610001 11.45902061 2 0.98860002 -38.27173996 2 1.41170001 79.46124268 2 2.22659993 -156.07127380 2 3.91120005 363.05010986 2 7.36229992 -387.52679443 1 12.34759998 157.08030701 0 97.26869965 13.12667370 Db P 2 1.60749996 -17.35287094 2 1.87670004 59.34616089 2 2.48539996 -127.77925873 2 3.77049994 367.82849121 2 6.15199995 -461.05795288 2 10.16429996 455.06890869 1 32.59609985 39.79631805 0 28.60499954 9.11766911 Db D 2 1.33990002 36.48612213 2 1.61790001 -127.74891663 2 2.21309996 280.03146362 2 3.25219989 -318.98696899 2 5.10150003 323.85400391 2 8.00959969 -120.24158478 1 12.68999958 68.86042023 0 38.71250153 7.47007322 Db F 2 2.41249990 -20.21871376 2 3.16190004 74.46029663 2 4.39510012 -137.02085876 2 7.21780014 257.44635010 2 11.78429985 -273.33023071 1 19.00629997 108.77323914 0 112.81549835 8.11930275 Sg nelec 78 Sg ul 2 2.64319992 -2.86417007 2 6.07140017 -24.83221626 2 15.74120045 -65.20879364 2 42.45800018 -230.83030701 2 142.64309692 -581.96240234 1 474.11239624 -72.60127258 Sg S 2 0.86299998 12.05960178 2 1.05420005 -40.36178970 2 1.49409997 83.71267700 2 2.32960010 -160.98204041 2 4.06939983 368.86862183 2 7.56169987 -378.96255493 1 12.48139954 154.19537354 0 92.55940247 13.15497017 Sg P 2 1.40380001 -26.91097641 2 1.67890000 104.84243011 2 2.21339989 -225.37165833 2 3.24169993 430.55957031 2 5.05520010 -450.61572266 2 8.12880039 441.56393433 1 23.10099983 36.73625565 0 21.40990067 15.16486263 Sg D 2 1.42400002 46.34651566 2 1.70340002 -151.61633301 2 2.33990002 313.82431030 2 3.50469995 -357.89248657 2 5.58169985 368.82647705 2 8.84290028 -140.97476196 1 14.35630035 74.65301514 0 46.22069931 7.29740906 Sg F 2 0.20090000 0.00078100 2 2.50580001 -24.03555870 2 3.13100004 67.89444733 2 4.52750015 -121.39882660 2 7.31710005 232.51620483 2 12.34819984 -253.15870667 1 19.37109947 110.25409698 0 119.08460236 8.23139000 Bh nelec 78 Bh ul 2 2.89560008 -3.35290790 2 6.99249983 -31.31209564 2 19.70809937 -84.26948547 2 50.64680099 -250.99455261 2 169.91259766 -663.90728760 1 579.14007568 -76.54288483 Bh S 2 0.92390001 12.89282990 2 1.12119997 -42.52116013 2 1.58039999 87.59494019 2 2.44810009 -168.26521301 2 4.22830009 378.64233398 2 7.74380016 -370.94055176 1 12.61569977 151.03823853 0 87.54750061 13.16075420 Bh P 2 1.61189997 -40.42537689 2 1.87080002 132.45677185 2 2.45079994 -259.20013428 2 3.57220006 499.21224976 2 5.53560019 -512.78057861 2 8.69429970 414.40963745 1 25.46310043 37.00040817 0 23.46479988 10.31091213 Bh D 2 1.50629997 52.80572128 2 1.79089999 -166.94958496 2 2.46670008 342.94973755 2 3.71190000 -397.51223755 2 5.95030022 402.93353271 2 9.73799992 -159.58543396 1 15.47579956 79.98925781 0 53.96599960 7.18016481 Bh F 2 1.58899999 3.47460198 2 2.22770000 -30.92019653 2 2.80320001 52.61679077 2 4.85039997 -101.10993958 2 7.85230017 242.44079590 2 13.85149956 -290.07327271 1 21.30069923 118.62665558 0 142.67070007 8.21459579 Hs nelec 78 Hs ul 2 3.04859996 -3.52126193 2 7.26749992 -31.55532455 2 20.27059937 -85.94426727 2 52.33610153 -256.31365967 2 175.59950256 -678.36505127 1 601.33288574 -77.53912354 Hs S 2 2.54539990 51.80170822 2 3.23480010 -201.12657166 2 4.84700012 233.90281677 2 4.85209990 279.00558472 2 8.13560009 -496.25042725 2 16.22820091 661.43432617 1 29.02619934 71.45537567 0 70.56719971 15.94776821 Hs P 2 1.83060002 -46.53895187 2 2.10509992 151.83879089 2 2.72140002 -298.16210938 2 3.91100001 594.44122314 2 6.00810003 -663.10723877 2 9.25010014 540.66351318 1 27.79000092 37.35129929 0 24.85090065 11.90068436 Hs D 2 1.56120002 49.72613525 2 1.85810006 -159.46257019 2 2.54830003 328.19085693 2 3.80679989 -367.87030029 2 6.02419996 377.35983276 2 9.58780003 -138.68315125 1 15.38780022 76.32281494 0 49.03390121 7.30653381 Hs F 2 2.82769990 -59.20159149 2 3.13260007 107.36421967 2 4.17640018 -87.96672821 2 8.28279972 188.38500977 2 14.05659962 -246.59767151 1 21.78809929 113.65402985 0 122.95120239 8.01900768 Mt nelec 78 Mt ul 2 3.21989989 -3.78520894 2 7.60629988 -32.17883682 2 21.08110046 -88.77558899 2 54.50949860 -262.26101685 2 182.55880737 -695.46112061 1 627.89978027 -78.66818237 Mt S 2 0.93570000 10.82800961 2 1.13859999 -36.03499222 2 1.60590005 73.91980743 2 2.50130010 -141.54446411 2 4.34140015 317.19680786 2 7.94579983 -265.94079590 1 12.75669956 143.72163391 0 75.80059814 13.33908367 Mt P 2 1.75259995 -44.13345337 2 2.03970003 146.13003540 2 2.67700005 -286.20419312 2 3.94470000 569.66558838 2 6.25470018 -628.39935303 2 10.45110035 599.15612793 1 32.06700134 36.18843079 0 26.34819984 15.10082054 Mt D 2 1.61269999 45.77956390 2 1.92340004 -149.02313232 2 2.63420010 310.81726074 2 3.89849997 -333.04721069 2 6.14449978 345.93359375 2 9.60589981 -117.37724304 1 15.46739960 73.73838806 0 45.96009827 7.42484903 Mt F 2 1.15419996 0.27778500 2 2.66059995 -26.51850319 2 3.30410004 67.39969635 2 4.86059999 -114.03620911 2 8.08279991 229.09034729 2 14.02200031 -250.87223816 1 22.29000092 115.67070007 0 135.26950073 8.22783756 END CRENBL_ECP ############################################################################################################################### # ccECPs from Haihan Zhou et al. Journal of Chemical Physics 160 084302 (2024) # ccECP-soft from Benjamin Kincaid et al. specifically developed for plane wave calculations. J. Chem. Phys. 157, 174307 (2022) # ccECPs from Guangming Wang et al. Journal of Chemical Physics 157 054101 (2022) # ccECPs from Guangming Wang et al. Journal of Chemical Physics 151, 144110 (2019) # ccECPs from Abdulgani Annaberdiyev et al. Journal of Chemical Physics 149, 134108 (2018) # ccECPs from Chandler Bennett et al. Journal of Chemical Physics 149, 104108 (2018) # ccECPs from Chandler Bennett et al. Journal of Chemical Physics 147, 224106 (2017) ############################################################################################################################### ccECP H nelec 0 H ul 1 21.24359508259891 1.00000000000000 3 21.24359508259891 21.24359508259891 2 21.77696655044365 -10.85192405303825 H S 2 1.000000000000000 0.00000000000000 He nelec 0 He ul 1 32.000000 2.000000 3 32.000000 64.00000 2 33.713355 -27.70084 He s 2 1.0000000 0.000000 Li nelec 2 Li ul 1 15.0000000000000 1.000 3 15.0479971422127 15.0000000000000 2 1.80605426846072 -1.24272969818004 Li s 2 1.33024777689591 6.75286789026804 Be nelec 2 Be ul 1 17.94900205362972 2 3 24.13200289331664 35.89800410725944 2 20.13800265282147 -12.77499846818315 2 4.333170937885760 -2.96001382478467 Be s 2 2.487403700772570 12.66391859014478 B nelec 2 B ul 1 31.49298 3.00000 3 22.56509 94.47895 2 8.64669 -9.74800 B S 2 4.06246 20.74800 C nelec 2 C ul 1 14.43502 4.00000 3 8.39889 57.74008 2 7.38188 -25.81955 C S 2 7.76079 52.13345 N nelec 2 N ul 1 12.91881 3.25000 1 9.22825 1.75000 3 12.96581 41.98612 3 8.05477 16.14945 2 12.54876 -26.09522 2 7.53360 -10.32626 N S 2 9.41609 34.77692 2 8.16694 15.20330 O nelec 2 O ul 1 12.30997 6.000000 3 14.76962 73.85984 2 13.71419 -47.87600 O S 2 13.65512 85.86406 F nelec 2 F ul 1 12.08758490486192 7.0 3 12.83806306400466 84.61309433403344 2 12.31234562699041 -53.02751706539332 F s 2 14.78076492090162 78.90177172847011 Ne nelec 2 Ne ul 1 14.79351199705315 8.0 3 16.58203947626090 118.34809597642520 2 16.08073529218220 -70.27885884380557 Ne s 2 16.55441468334002 81.62205749824426 Na nelec 10 Na ul 1 4.311678 1.000000 3 1.925689 4.311678 2 1.549498 -2.083137 Na S 2 5.377666 6.234064 2 1.408414 9.075931 Na P 2 1.379949 3.232724 2 0.862453 2.494079 Mg nelec 10 Mg ul 1 6.048538 2.000000 3 2.796989 12.097075 2 2.547408 -17.108313 Mg S 2 5.936017 6.428631 2 1.592891 14.195491 Mg P 2 1.583969 3.315069 2 1.077297 4.403025 Al nelec 10 Al ul 1 5.073893 3.000000 3 8.607001 15.221680 2 3.027490 -11.165685 Al S 2 7.863954 14.879513 2 2.061358 20.746863 Al P 2 3.125175 7.786227 2 1.414930 7.109015 Si nelec 10 Si ul 1 5.168316 4.000000 3 8.861690 20.673264 2 3.933474 -14.818174 Si S 2 9.447023 14.832760 2 2.553812 26.349664 Si P 2 3.660001 7.621400 2 1.903653 10.331583 P nelec 10 P ul 1 5.872694 5.000000 3 9.891298 29.363469 2 4.692469 -17.011136 P S 2 12.091334 15.259383 2 3.044535 31.707918 P P 2 4.310884 7.747190 2 2.426903 13.932528 S nelec 10 S ul 1 6.151144 6.000000 3 11.561575 36.906864 2 5.390961 -19.819533 S S 2 16.117687 15.925748 2 3.608629 38.515895 S P 2 6.228956 8.062221 2 2.978074 18.737525 Cl nelec 10 Cl ul 1 7.944352 7.000000 3 12.801261 55.610463 2 6.296744 -22.860784 Cl S 2 17.908432 15.839234 2 4.159880 44.469504 Cl P 2 7.931763 8.321946 2 3.610412 24.044745 Ar nelec 10 Ar ul 1 8.317181 8.000000 3 13.124648 66.537451 2 6.503132 -24.100393 Ar S 2 27.068139 18.910152 2 4.801263 53.040012 Ar P 2 11.135735 8.015534 2 4.126631 28.220208 K nelec 10 K ul 1 7.27386331637373 9.000 3 11.1729834540799 65.46476984736357 2 7.70617523948938 -10.84433558416271 2 5.62491694962345 -15.96316084113368 K s 2 11.4425076498453 11.86687269408012 2 6.53712447768095 90.07677060151201 K p 2 9.63121897030662 11.53420167311457 2 4.50881062128081 27.72023517356577 Ca nelec 10 Ca ul 1 7.041331745291820 10.000 3 14.01444871170631 70.41331745291820 2 13.76936244330539 -92.87298019372959 2 4.717259669813990 -5.753568238854550 Ca s 2 11.24016734279034 149.3026232361631 2 5.353611600469730 23.75932943609596 Ca p 2 13.06654848325639 99.20411436357747 2 4.027484971490170 13.45216129084917 Sc nelec 10 Sc ul 1 16.02394388 11.00000000 3 14.08647403 176.26338271 2 11.93985121 -83.68149599 2 3.69440111 0.43282764 Sc S 2 11.49466541 153.96530175 2 5.01031394 14.93675657 Sc P 2 11.45126730 97.21725690 2 4.76798446 10.81704018 Ti nelec 10 Ti ul 1 18.41366202 12.00000000 3 15.92292414 220.96394426 2 13.65000623 -94.29025824 2 5.09555210 0.09791142 Ti S 2 12.70580613 173.94657235 2 6.11178551 18.83768333 Ti P 2 12.64091929 111.45672882 2 5.35437415 11.17702682 V nelec 10 V ul 1 20.32168914 13.00000000 3 19.59698040 264.18195885 2 17.33147348 -115.29293208 2 5.12320657 -0.66288726 V S 2 15.12502150 195.56713891 2 6.29898914 22.88642834 V P 2 15.93855113 126.42119500 2 5.74006266 16.03597127 Cr nelec 10 Cr ul 1 18.28091074 14.00000000 3 17.09800655 255.93275041 2 16.72267276 -132.01826317 2 5.02865105 -0.77388761 Cr S 2 16.90078760 219.48146209 2 7.33662150 28.07933176 Cr P 2 17.31974516 139.98396871 2 6.92409757 19.54835786 Mn nelec 10 Mn ul 1 21.91937433 15.00000000 3 21.35527127 328.79061500 2 21.27162653 -162.05172805 2 7.93913962 -1.82694272 Mn S 2 18.92044965 244.66870492 2 8.32764757 33.54162717 Mn P 2 20.17347020 162.35033685 2 7.80047874 24.17956695 Fe nelec 10 Fe ul 1 23.22091713 16.00000000 3 23.54714679 371.53467417 2 23.47256344 -181.22603445 2 9.85238815 -2.37305236 Fe S 2 22.21062697 277.50032547 2 9.51515800 46.20495585 Fe P 2 24.57000871 194.99875056 2 8.86648776 31.67945132 Co nelec 10 Co ul 1 25.00124115 17.00000000 3 22.83490096 425.02109971 2 23.47468155 -195.48211282 2 10.33794825 -2.81572866 Co S 2 23.41427030 271.77708486 2 10.76931694 54.26461121 Co P 2 25.47446316 201.53430745 2 10.68404901 38.99231927 Ni nelec 10 Ni ul 1 2.82630001015327e+01 18.000 3 2.69360254587070e+01 508.7340018275886 2 2.70860075292970e+01 -2.20099999296390e+02 2 1.22130001295874e+01 -2.13493270999809e+00 Ni S 2 2.64320193944270e+01 3.21240002430625e+02 2 1.17489696842121e+01 6.03470084610628e+01 Ni P 2 2.94929998193907e+01 2.36539998999428e+02 2 1.15569831458722e+01 4.43969887908906e+01 Cu nelec 10 Cu ul 1 31.53811263 19.00000000 3 31.06925531 599.22413997 2 30.59035868 -244.68915484 2 14.05141063 -1.29349525 Cu S 2 29.35562242 370.71371824 2 12.77235919 66.27560813 Cu P 2 33.51694543 271.66281028 2 12.52471484 49.76265057 Zn nelec 10 Zn ul 1 35.80797616 20.00000000 3 34.53646083 716.15952323 2 28.62830178 -204.68393323 2 7.96239682 0.76026614 Zn S 2 35.02141356 431.70804302 2 14.63498691 95.87640437 Zn P 2 42.22979234 313.57770563 2 14.57429304 74.01270048 Ga nelec 28 Ga ul 1 17.00473938158134 3.0 3 14.99961796477555 51.01421814474402 2 11.99279249750992 -39.00062591247301 2 14.99282276192415 35.44659356093000 Ga s 2 1.85781132082231 21.78930966695012 2 0.91950586478827 -2.86685089713932 Ga p 2 1.92030166263971 18.63985979160424 2 1.00895888918239 -1.63369679761927 Ga d 2 0.62750876923831 2.03523714898590 2 0.32619029984635 -0.08532375682035 Ge nelec 28 Ge ul 1 1.478962662442 4.0 3 3.188905647765 5.9158506497680 2 1.927438978253 -12.033712959815 2 1.545539235916 1.283543489065 Ge s 2 2.894473589836 43.265429324814 2 1.550339816290 -1.909339873965 Ge p 2 2.986528872039 35.263014141211 2 1.283381203893 0.963439928853 Ge d 2 1.043001142249 2.339019442484 2 0.554562729807 0.541380654081 As nelec 28 As ul 1 1.28593131534589 5.0 3 9.93487432688877 6.429656576729450 2 1.89568153750512 -15.01243900647766 2 1.72825641453405 2.89881363078702 As s 2 3.47938697518409 75.65519437230579 2 1.63747973017064 -3.31145348709338 As p 2 3.22936389274538 67.96186740640852 2 1.66636575135787 -3.09455795155570 As d 2 2.06816256325470 24.30473448724631 2 1.54699940726544 0.93945624468575 Se nelec 28 Se ul 1 2.97705189898323 6.0 3 7.01667360591764 17.862311393899380 2 3.96066255032528 -20.00913150638712 2 5.02826321004214 10.00573531473560 Se s 2 4.17536331935161 71.37928031464314 2 2.14491059745542 0.42619859321245 Se p 2 4.28772186507645 50.94828961394475 2 2.09538253707367 5.54288117697892 Se d 2 1.39403720595047 6.20469719059516 2 1.69659923150419 0.53395702862692 Br nelec 28 Br ul 1 3.665770450000000 7.00000000000000 3 5.293022720000000 25.6603931500000 2 3.176376149835153 13.0402619252684 2 2.897543523376016 -21.908838668870 Br s 2 4.971806723636273 85.8843473075379 2 2.042687217782981 4.62125463404037 Br p 2 4.711839367430644 55.3617154916148 2 2.384292508891309 11.0314096124871 Br d 2 3.412863477885576 26.4104098578207 2 1.530284946887900 5.46873883641966 Kr nelec 28 Kr ul 1 10.79423805030976 8.0 3 13.32338941541937 86.353904402478080 2 9.292050205053670 -11.11453291523170 2 20.14895793077237 10.22951903851239 Kr s 2 5.49072858263344 92.88955174083402 2 3.86301190150576 12.92947788650997 Kr p 2 4.03857692489950 43.09952401633328 2 3.30678898758958 9.50975957670500 Kr d 2 4.21348003421066 17.80494496367218 2 1.54989721316990 4.58911494794530 #Rb #Sr Y nelec 28 Y ul 1 11.322164 11.000000 3 15.695824 124.543799 2 5.067912 -20.049244 2 4.444526 -5.929487 Y s 2 6.868325 154.159199 2 3.830900 18.389590 Y p 2 6.193744 106.095839 2 2.739296 10.237893 Y d 2 5.301404 48.146429 2 2.236852 7.592843 #so #Y p #2 6.789339 -58.503206 #2 6.773070 58.508207 #2 3.078466 -7.554229 #2 2.896354 7.684825 #Y d #2 5.419086 -11.851193 #2 5.333864 11.852624 #2 1.970651 -2.065575 #2 1.954057 2.054659 Zr nelec 28 Zr ul 1 23.999012 12.000000 3 25.971764 287.988139 2 4.926614 -5.987178 2 4.801388 -7.922580 Zr s 2 8.765091 150.262314 2 3.928322 30.213713 Zr p 2 7.417907 99.301910 2 3.768733 25.356026 Zr d 2 2.250556 5.625707 2 5.355356 46.916833 #so #Zr p #2 7.660616 -58.519285 #2 7.440442 58.492385 #2 3.308537 -7.550185 #2 3.147063 7.738905 #Zr d #2 5.481717 -11.708397 #2 6.090472 11.867706 #2 2.361902 -2.486771 #2 1.764896 1.566729 Nb nelec 28 Nb ul 1 19.860892 13.000000 3 19.525927 258.191591 2 7.388201 -23.263128 2 4.558641 -4.887375 Nb s 2 8.451450 188.147277 2 4.655854 25.673881 Nb p 2 8.192024 134.298070 2 3.466263 17.381556 Nb d 2 6.825072 60.151219 2 2.858157 10.393369 #so #Nb p #2 8.359425 -74.498506 #2 8.167350 74.507443 #2 3.685605 -10.879317 #2 3.551957 10.916537 #Nb d #2 6.688623 -15.214533 #2 6.537684 15.220185 #2 2.551296 -3.000998 #2 2.557909 3.036924 Mo nelec 28 Mo ul 1 10.993527 14.000000 3 11.015078 153.909378 2 10.365343 -91.434311 2 6.281056 -16.945728 Mo s 2 10.079375 180.089303 2 6.321328 16.961392 2 4.386730 24.723630 Mo p 2 9.027487 123.680940 2 6.340373 16.933336 2 3.910532 18.784314 Mo d 2 7.378964 48.289191 2 6.390417 16.932154 2 2.774830 7.940102 #so #Mo p #2 9.121564 -82.455357 #2 8.863223 82.452670 #2 4.044948 -12.690183 #2 3.866657 12.458423 #Mo d #2 7.535754 -19.308744 #2 7.278976 19.318449 #2 2.772085 3.133446 #2 2.763205 -3.189516 #Tc #Ru Rh nelec 28 Rh ul 1 22.806206 17.000000 3 32.710006 387.705494 2 14.048587 -10.571967 2 11.838335 -14.594461 Rh s 2 11.968516 245.387919 2 5.125760 27.285840 Rh p 2 9.739600 180.589423 2 6.564776 28.411628 Rh d 2 11.425921 83.487044 2 4.502521 21.380372 #so #Rh p #2 12.583835 -105.691011 #2 9.850973 105.807831 #4 4.165404 -17.209011 #4 6.179692 17.035664 #Rh d #2 12.428318 -24.301306 #2 14.006097 24.821099 #2 4.782894 -2.724934 #2 5.952595 6.111212 Pd nelec 28 Pd ul 1 15.997664 18.000000 3 15.964009 287.957945 2 16.128878 -176.382552 2 9.592539 -44.253623 Pd s 2 12.451647 222.004870 2 9.656958 4.624354 2 6.301508 55.838586 Pd p 2 12.376014 166.644960 2 9.850179 28.721347 2 5.706187 42.681167 Pd d 2 9.195344 57.976811 2 7.923467 53.576592 2 3.358692 4.674921 #so #Pd p #2 17.775389 -4.392610 #2 6.010086 4.167684 #Pd d #2 8.310412 -28.617555 #2 8.113178 28.944376 #2 3.313498 -1.901878 #2 2.152512 0.867558 Ag nelec 28 Ag ul 1 11.116996 19.000000 3 11.307067 211.222924 2 10.887465 -111.385674 2 6.050896 -10.049234 Ag s 2 12.570677 281.004418 2 7.075228 40.246565 Ag p 2 11.402841 210.992439 2 6.504915 30.829872 Ag d 2 10.792675 101.033610 2 4.485396 14.813640 #so #Ag p #2 14.533732 -7.088207 #2 7.620883 6.990650 #Ag d #2 11.057856 28.649549 #2 9.109402 -28.772257 #2 5.540539 -5.426715 #2 4.274636 4.873157 #Cd #In Sn nelec 46 Sn ul 1 2.000000 4.000000 3 2.000000 8.000000 2 2.000000 -12.706546 2 1.000000 -0.237233 Sn s 2 2.000000 48.172258 2 1.000000 -4.559077 Sn p 2 2.000000 48.856272 2 1.000000 -1.913865 Sn d 2 0.666000 6.850466 2 0.333000 -0.247154 #so #Sn p #2 2.716017 -2.371998 #2 1.359517 2.093748 #Sn d #2 0.300000 -0.857741 #2 0.520563 3.223343 #Sb Te nelec 46 Te ul 1 12.000000 6.000000 3 12.000000 72.000000 2 12.000000 -50.505126 Te s 2 2.656483 48.280562 2 2.281974 -1.021525 Te p 2 2.946988 39.656024 2 2.790001 79.544830 2 1.909579 -2.728455 2 1.750168 -2.600491 Te d 2 1.107233 6.846462 2 1.084059 9.411814 #so #Te p #2 2.826025 -79.930555 #2 2.772908 79.814350 #2 2.087577 -1.100622 #2 1.603342 1.969873 #Te d #2 1.107233 -5.059096 #2 1.084059 4.999134 I nelec 46 I ul 1 12.001337 7.000000 3 12.035882 84.009359 2 3.022296 -3.998559 2 0.977906 -3.050310 I s 2 3.150276 114.023762 2 1.008080 1.974146 I p 2 2.954190 111.466589 2 0.730822 1.710240 I d 2 2.604979 45.300844 2 0.899593 8.704290 #so #I p #2 3.086882 55.714747 #2 2.867556 -54.814595 #2 1.921809 -1.544859 #2 1.061605 1.770002 #I d #2 2.000739 -8.269917 #2 1.969122 8.345637 #2 1.002536 -2.185466 #2 0.976089 2.118147 #Xe #Cs #Ba #La #Ce #Pr #Nd #Pm #Sm #Eu Gd nelec 46 Gd ul 1 4.482335 18.000000 3 4.564890 82.168015 2 5.667120 -92.949026 2 3.161461 -4.588504 Gd s 2 11.958743 158.751573 2 4.575020 75.338628 Gd p 2 9.327027 85.299703 2 3.727309 55.148896 Gd d 2 9.142398 55.315114 2 2.410263 27.587515 Gd f 2 3.496091 -24.952915 2 6.162299 -2.920504 #so #Gd p #4 2.002999 2.782860 #Gd d #4 4.114860 -0.322458 #Gd f #4 4.965905 0.231259 Tb nelec 46 Tb ul 1 4.526254 19.000000 3 3.879308 85.998831 2 4.406058 -85.722649 2 1.899664 -3.133952 Tb s 2 8.996757 161.119164 2 5.104371 89.334835 Tb p 2 7.640657 88.693021 2 3.878305 57.109488 Tb d 2 7.456305 55.901690 2 2.530445 29.364333 Tb f 2 4.939345 -23.952530 2 3.912490 -7.090915 #so #Tb p #4 2.080465 2.963688 #Tb d #4 2.660751 0.922456 #Tb f #4 4.708055 0.178089 #Dy #Ho #Er #Tm #Yb #Lu #Hf Ta nelec 60 Ta ul 1 6.585798 13.000000 3 9.131928 85.615374 2 7.991861 -0.262937 2 1.842639 -2.273914 Ta s 2 16.084877 354.560780 4 4.856689 -3.189062 2 6.308029 15.434060 2 4.049118 17.921890 Ta p 2 9.219236 291.708719 4 8.304225 -10.543181 2 3.160451 -0.606327 2 2.276207 3.707560 Ta d 2 5.663931 119.434072 4 6.804907 -1.428753 2 5.867466 6.084632 2 5.458504 14.589293 Ta f 2 1.885697 13.741560 2 3.231234 12.967039 ##so #Ta p #2 9.567757 -193.788022 #2 7.672453 195.894081 #4 9.284590 -9.653330 #4 8.099739 6.253216 #2 3.637006 -0.144229 #2 1.690943 -1.601960 #Ta d #2 5.498582 -45.969268 #2 5.595047 46.401258 #4 5.868634 -0.474343 #4 5.654115 0.293785 #2 1.414594 0.484404 #2 1.565152 -0.270081 #Ta f #2 2.132660 -3.831108 #2 2.032923 3.924549 W nelec 60 W ul 1 10.188960 14.000000 3 9.478240 142.645440 2 10.146880 -100.078727 2 5.491651 -0.941578 W s 2 11.273956 420.479803 2 8.410924 39.584943 W p 2 8.517824 320.877235 2 1.608091 -0.472821 4 10.073490 0.112929 W d 2 6.059286 158.077959 2 1.104853 -0.283299 4 6.262477 -0.459490 W f 2 2.075342 7.745405 2 1.845947 6.916005 #so #W p #2 11.964154 -0.551147 #2 4.897325 1.427345 #4 8.302365 194.404774 #W d #2 5.772034 7.045184 #2 3.175200 -0.115276 #4 6.155484 3.907520 #W f #2 2.473295 4.123819 #2 2.405627 -4.032609 Re nelec 60 Re ul 1 13.992911 15.000000 3 13.164906 209.893668 2 3.873316 -8.076852 2 3.654226 -9.999694 Re s 2 11.527415 471.040560 2 3.521939 17.808887 Re p 2 9.670534 265.269318 2 4.693214 48.515418 Re d 2 6.202607 107.920979 2 4.054883 31.437969 Re f 2 2.502922 16.905644 2 4.013976 17.858142 #so #Re p #2 9.196200 -176.980000 #2 9.692400 176.770000 #2 7.722000 -20.947000 #2 3.956400 20.428000 #Re d #2 6.157000 -43.309000 #2 6.201600 43.086000 #2 4.608100 -5.345500 #2 3.941100 5.715900 #Re f #2 2.562700 -4.830900 #2 2.521500 4.830200 #Os Ir nelec 60 Ir ul 1 12.171070 17.000000 3 12.170139 206.908194 2 12.320343 -143.208379 2 5.602984 -23.157042 Ir s 2 13.826287 438.873879 2 6.284095 76.599511 Ir p 2 11.264188 262.750135 2 5.346383 61.991944 Ir d 2 6.815210 123.955993 2 4.766746 31.123654 Ir f 2 2.786350 10.329276 2 2.592946 11.885698 #so #Ir p #2 13.722145 -15.366434 #2 4.201427 9.843941 #Ir d #2 10.062658 -2.838512 #2 5.177629 3.880360 #Ir f #2 2.299318 4.142597 #2 2.295619 -4.159394 Pt nelec 60 Pt ul 1 13.600000 18.000000 3 13.600000 244.800000 2 13.600000 -161.707117 2 5.430186 -19.530044 Pt s 2 14.604490 428.400991 2 7.218055 67.391235 2 5.429571 21.842450 Pt p 2 11.178990 255.947773 2 5.365413 52.709385 2 8.011118 13.379362 Pt d 2 7.615605 121.977058 2 3.904912 5.839996 2 5.446875 44.746892 Pt f 2 3.386257 13.308218 2 3.326489 19.517395 2 5.430616 25.350338 #so #Pt p #2 12.905978 -176.006816 #2 9.569534 176.041345 #2 5.241937 -27.260853 #2 7.370807 27.417143 #Pt d #2 8.156923 -42.598141 #2 7.160691 44.200769 #2 3.611191 -6.876859 #2 4.034286 7.580091 #Pt f #2 3.379869 -7.140146 #2 3.326255 7.139063 Au nelec 60 Au ul 1 9.985262 19.000000 3 9.536259 189.719980 2 10.882390 -140.528643 2 3.792290 -8.417696 Au s 2 13.809175 423.151508 2 6.576682 23.880430 2 4.315266 12.729619 Au p 2 11.806942 260.255986 2 5.843816 32.797931 2 4.462109 14.975886 Au d 2 8.633228 135.277395 2 4.081605 13.920475 2 3.946753 12.464658 Au f 2 3.613935 15.143598 2 3.593635 14.877722 2 3.467163 12.317560 #so #Au p #2 15.759013 -22.092336 #2 6.041694 22.320517 #Au d #2 8.904735 20.778790 #2 6.570928 -24.832959 #2 3.389961 3.968015 #Au f #2 3.387468 -5.901882 #2 3.083291 5.872893 #Hg #Tl #Pb Bi nelec 78 Bi ul 1 8.029160 5.000000 3 7.481551 40.145802 2 1.775683 -6.251215 2 0.698085 -0.286410 Bi s 2 3.398563 137.072914 2 2.236391 34.391642 4 1.063682 -1.801931 Bi p 2 1.245620 39.826968 2 0.366762 0.844734 4 0.823760 -4.391855 Bi d 2 0.924628 -3.787918 2 0.835034 24.096314 4 1.239855 0.456375 Bi f 2 1.847446 -0.382962 2 1.069842 -0.546444 4 0.862193 -0.236708 #so #Bi p #2 3.624196 -0.056803 #2 2.084017 3.659507 #4 1.279962 3.069035 #Bi d #2 1.877353 3.942473 #2 1.118436 -4.025036 #4 1.002374 -0.276729 #Bi f #2 1.013377 1.745433 #2 0.959437 -1.645441 #4 1.004895 0.007556 #Po #At #Rn #Fr #Ra #Ac #Th #Pa #U #Np #Pu #Am #Cm #Bk #Cf #Es #Fm #Md #No #Lr END ccECP