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cp2k/data/ECP_POTENTIALS
Juerg Hutter 71d5d6c00b
ccECP (#3940)
2025-02-05 14:58:51 +01:00

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# 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
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