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ECP_POTENTIALS
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ECP_POTENTIALS
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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