# all_value

name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: N
data:
NITROGEN
S   6
  1  19730.8006470              0.21887984991E-03      
  2   2957.8958745              0.16960708803E-02      
  3    673.22133595             0.87954603538E-02      
  4    190.68249494             0.35359382605E-01      
  5     62.295441898            0.11095789217    
  6     22.654161182            0.24982972552    
S   2
  1      8.9791477428           0.40623896148    
  2      3.6863002370           0.24338217176    
S   1
  1      0.84660076805          1.0000000        
S   1
  1      0.33647133771          1.0000000        
S   1
  1      0.13647653675          1.0000000        
S   1
  1      0.68441605847E-01            1.0000000        
P   4
  1     49.200380510            0.55552416751E-02      
  2     11.346790537            0.38052379723E-01      
  3      3.4273972411           0.14953671029    
  4      1.1785525134           0.34949305230    
P   1
  1      0.41642204972          1.0000000        
P   1
  1      0.14260826011          1.0000000        
D   1
  1      1.6540000000           1.0000000        
D   1
  1      0.46900000000          1.0000000        
D   1
  1      0.12829642058          1.0000000        
F   1
  1      1.0930000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: O
data:
OXYGEN
S   6
  1  27032.3826310              0.21726302465E-03      
  2   4052.3871392              0.16838662199E-02      
  3    922.32722710             0.87395616265E-02      
  4    261.24070989             0.35239968808E-01      
  5     85.354641351            0.11153519115    
  6     31.035035245            0.25588953961    
S   2
  1     12.260860728            0.39768730901    
  2      4.9987076005           0.24627849430    
S   1
  1      1.1703108158           1.0000000        
S   1
  1      0.46474740994          1.0000000        
S   1
  1      0.18504536357          1.0000000        
S   1
  1      0.70288026270E-01            1.0000000        
P   4
  1     63.274954801            0.60685103418E-02      
  2     14.627049379            0.41912575824E-01      
  3      4.4501223456           0.16153841088    
  4      1.5275799647           0.35706951311    
P   1
  1      0.52935117943          1.0000000        
P   1
  1      0.17478421270          1.0000000        
P   1
  1      0.51112745706E-01            1.0000000        
D   1
  1      2.3140000000           1.0000000        
D   1
  1      0.64500000000          1.0000000        
D   1
  1      0.14696477366          1.0000000        
F   1
  1      1.4280000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: F
data:
FLUORINE
S   6
  1  35479.1004410              0.21545014888E-03      
  2   5318.4728983              0.16700686527E-02      
  3   1210.4810975              0.86733211476E-02      
  4    342.85518140             0.35049933175E-01      
  5    112.01943181             0.11165320133    
  6     40.714740248            0.25988506647    
S   2
  1     16.039678111            0.39422966880    
  2      6.5038186740           0.24998238551    
S   1
  1      1.5440477509           1.0000000        
S   1
  1      0.61223452862          1.0000000        
S   1
  1      0.24027979698          1.0000000        
S   1
  1      0.90918446478E-01            1.0000000        
P   4
  1     80.233900483            0.63685999134E-02      
  2     18.594010743            0.44303143530E-01      
  3      5.6867902653           0.16867248708    
  4      1.9511006294           0.36166346255    
P   1
  1      0.66970211298          1.0000000        
P   1
  1      0.21651300410          1.0000000        
P   1
  1      0.59613282472E-01            1.0000000        
D   1
  1      3.1070000000           1.0000000        
D   1
  1      0.85500000000          1.0000000        
D   1
  1      0.18608388111          1.0000000        
F   1
  1      1.9170000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ne
data:
NEON
S   6
  1  45069.4640220              0.21687155182E-03      
  2   6755.9768656              0.16812736757E-02      
  3   1537.6502864              0.87356062782E-02      
  4    435.51697667             0.35361266922E-01      
  5    142.28655638             0.11321521454    
  6     51.692153804            0.26654653104    
S   2
  1     20.315870490            0.39631959951    
  2      8.2021942646           0.25582811251    
S   1
  1      1.9681276278           1.0000000        
S   1
  1      0.77904756001          1.0000000        
S   1
  1      0.30229502043          1.0000000        
S   1
  1      0.11246533684          1.0000000        
P   4
  1     99.782996032            0.65569234163E-02      
  2     23.176124101            0.45888009138E-01      
  3      7.1163945872           0.17331287812    
  4      2.4418711435           0.36475267512    
P   1
  1      0.83389605766          1.0000000        
P   1
  1      0.26607311301          1.0000000        
P   1
  1      0.71067552401E-01            1.0000000        
D   1
  1      4.0140000000           1.0000000        
D   1
  1      1.0960000000           1.0000000        
D   1
  1      0.23044808390          1.0000000        
F   1
  1      2.5440000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Na
data:
SODIUM
S   7
  1  26041.1099270              0.61806342811E-03      
  2   3906.1268548              0.47748604414E-02      
  3    888.97454993             0.24471684829E-01      
  4    251.45497961             0.94755394977E-01      
  5     81.650143512            0.26867496920    
  6     28.904158401            0.47925475440    
  7     10.625782932            0.33248591469    
S   3
  1     53.769410179            0.19527731872E-01      
  2     16.308243025            0.92648010794E-01      
  3      2.3730384125          -0.39938670172    
S   2
  1      0.95730772603          1.6428595391     
  2      0.40806460959          0.55692596966    
S   1
  1      0.49967582329E-01            1.0000000        
S   1
  1      0.19268616250E-01            1.0000000        
P   5
  1    138.07979989             0.57951891929E-02      
  2     32.232700393            0.41620846251E-01      
  3      9.9816075360           0.16281916885    
  4      3.4822033928           0.36011784647    
  5      1.2299134620           0.44858979889    
P   1
  1      0.41743959423          1.0000000        
P   1
  1      0.30000000000E-01            1.0000000        
P   1
  1      0.91000000000E-01            1.0000000        
P   1
  1      0.11082810218E-01            1.0000000        
D   1
  1      2.6090000000           1.0000000        
D   1
  1      0.43000000000          1.0000000        
D   1
  1      0.10000000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Mg
data:
MAGNESIUM
S   7
  1  31438.3495550              0.60912311326E-03      
  2   4715.5153354              0.47066196465E-02      
  3   1073.1629247              0.24135820657E-01      
  4    303.57238768             0.93628959834E-01      
  5     98.626251042            0.26646742093    
  6     34.943808417            0.47890929917    
  7     12.859785199            0.33698490286    
S   3
  1     64.876913004            0.19180889307E-01      
  2     19.725520777            0.90913704392E-01      
  3      2.8951804339          -0.39563756125    
S   2
  1      1.1960454710           1.6827603373     
  2      0.54329451156          0.52141091954    
S   1
  1      0.10099104092          1.0000000        
S   1
  1      0.36865728085E-01            1.0000000        
P   5
  1    179.87189612             0.53799549018E-02      
  2     42.120069376            0.39318014098E-01      
  3     13.120503032            0.15740129476    
  4      4.6257503609           0.35919094128    
  5      1.6695211016           0.45533379310    
P   1
  1      0.58551012105          1.0000000        
P   1
  1      0.18914796195          1.0000000        
P   1
  1      0.53768755187E-01            1.0000000        
P   1
  1      0.24576992970E-01            1.0000000        
D   1
  1      3.4440000000           1.0000000        
D   1
  1      0.29000000000          1.0000000        
D   1
  1      0.70000000000E-01            1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Al
data:
ALUMINUM
S   7
  1  37792.5507720              0.57047888709E-03      
  2   5668.0682165              0.44093016538E-02      
  3   1289.8582841              0.22630967411E-01      
  4    364.86596028             0.88025644295E-01      
  5    118.57631515             0.25223701612    
  6     42.024867605            0.45960547169    
  7     15.499501629            0.33277886014    
S   3
  1     75.208026598            0.19250560190E-01      
  2     23.031408972            0.87906743952E-01      
  3      3.6348797649          -0.34246704535    
S   2
  1      1.6065049957           1.5106266058     
  2      0.76103394581          0.58071016470    
S   1
  1      0.16556708849          1.0000000        
S   1
  1      0.60041577113E-01            1.0000000        
S   1
  1      0.28536651434E-01            1.0000000        
P   5
  1    452.52303192             0.23110812466E-02      
  2    107.08195049             0.18568641823E-01      
  3     34.131021255            0.87216237035E-01      
  4     12.587037428            0.26902101523    
  5      4.9811919704           0.52128324272    
P   1
  1      2.0070350900           1.0000000        
P   1
  1      0.80083714374          1.0000000        
P   1
  1      0.20178927472          1.0000000        
P   1
  1      0.57895550392E-01            1.0000000        
D   2
  1      1.5700000000           0.20000000000    
  2      0.33300000000          1.0000000000     
D   1
  1      0.11100000000          1.0000000        
D   1
  1      0.41068707243E-01            1.0000000        
F   1
  1      0.24400000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Si
data:
SILICON
S   7
  1  44773.3580780              0.55914765868E-03      
  2   6717.1992104              0.43206040189E-02      
  3   1528.8960325              0.22187096460E-01      
  4    432.54746585             0.86489249116E-01      
  5    140.61505226             0.24939889716    
  6     49.857636724            0.46017197366    
  7     18.434974885            0.34250236575    
S   3
  1     86.533886111            0.21300063007E-01      
  2     26.624606846            0.94676139318E-01      
  3      4.4953057159          -0.32616264859    
S   2
  1      2.1035045710           1.3980803850     
  2      1.0106094922           0.63865786699    
S   1
  1      0.23701751489          1.0000000        
S   1
  1      0.85703405362E-01            1.0000000        
S   1
  1      0.37000771280E-01            1.0000000        
P   5
  1    394.47503628             0.26285693959E-02      
  2     93.137683104            0.20556257749E-01      
  3     29.519608742            0.92070262801E-01      
  4     10.781663791            0.25565889739    
  5      4.1626574778           0.42111707185    
P   1
  1      1.6247972989           1.0000000        
P   1
  1      0.54306660493          1.0000000        
P   1
  1      0.20582073956          1.0000000        
P   1
  1      0.70053487306E-01            1.0000000        
D   2
  1      2.3030000000           0.20000000000    
  2      0.47600000000          1.0000000000     
D   1
  1      0.16000000000          1.0000000        
D   1
  1      0.55036090333E-01            1.0000000        
F   1
  1      0.33600000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: P
data:
PHOSPHOROUS
S   7
  1  52426.9992330              0.55207164100E-03      
  2   7863.2660552              0.42678595308E-02      
  3   1789.5227333              0.21931529186E-01      
  4    506.27300165             0.85667168373E-01      
  5    164.60698546             0.24840686605    
  6     58.391918722            0.46336753971    
  7     21.643663201            0.35350558156    
S   3
  1     99.013837620            0.21895679958E-01      
  2     30.550439817            0.95650470295E-01      
  3      5.4537087661          -0.29454270186    
S   2
  1      2.6503362563           1.3294381200     
  2      1.2726688867           0.66109396473    
S   1
  1      0.31645005203          1.0000000        
S   1
  1      0.11417466938          1.0000000        
S   1
  1      0.48831315225E-01            1.0000000        
P   5
  1    472.27219248             0.25710623052E-02      
  2    111.58882756             0.20250297999E-01      
  3     35.445936418            0.91580716787E-01      
  4     12.990776875            0.25749454014    
  5      5.0486221658           0.42862899758    
P   1
  1      1.9934049566           1.0000000        
P   1
  1      0.66527284430          1.0000000        
P   1
  1      0.25516832128          1.0000000        
P   1
  1      0.90357762251E-01            1.0000000        
D   2
  1      3.1200000000           0.20000000000    
  2      0.64800000000          1.0000000000     
D   1
  1      0.21800000000          1.0000000        
D   1
  1      0.73569545334E-01            1.0000000        
F   1
  1      0.45200000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: S
data:
SULFUR
S   7
  1  60700.9281040              0.54695944225E-03      
  2   9102.6106854              0.42297224557E-02      
  3   2071.4166009              0.21747824159E-01      
  4    586.02476821             0.85100053589E-01      
  5    190.55395021             0.24799128459    
  6     67.630384260            0.46703640406    
  7     25.127306905            0.36434587550    
S   3
  1    112.57463010             0.21670040240E-01      
  2     34.795554217            0.93602301760E-01      
  3      6.5115556215          -0.26068001422    
S   2
  1      3.2399032261           1.2842089435     
  2      1.5477160881           0.66036416584    
S   1
  1      0.40541030112          1.0000000        
S   1
  1      0.14550651059          1.0000000        
S   1
  1      0.50178839540E-01            1.0000000        
P   5
  1    564.36716027             0.24796796317E-02      
  2    133.42624379             0.19677930250E-01      
  3     42.468271189            0.89980008258E-01      
  4     15.616527580            0.25705880575    
  5      6.1093988469           0.43515167292    
P   1
  1      2.4404160198           1.0000000        
P   1
  1      0.83882201296          1.0000000        
P   1
  1      0.31288746900          1.0000000        
P   1
  1      0.10770109004          1.0000000        
P   1
  1      0.30359833649E-01            1.0000000        
D   2
  1      3.7560000000           0.20000000000    
  2      0.81200000000          1.0000000000     
D   1
  1      0.27300000000          1.0000000        
D   1
  1      0.81547024970E-01            1.0000000        
F   1
  1      0.55700000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Cl
data:
CHLORINE
S   7
  1  69507.9909450              0.54314897497E-03      
  2  10426.1568800              0.41990463961E-02      
  3   2373.2334061              0.21592141679E-01      
  4    671.56420071             0.84598850094E-01      
  5    218.41999790             0.24757249724    
  6     77.572249714            0.47016930228    
  7     28.888815277            0.37436370716    
S   3
  1    127.10527185             0.25182166603E-01      
  2     39.339582961            0.10786112456    
  3      7.6740679989          -0.27408821574    
S   2
  1      3.8745627630           1.3213875014     
  2      1.8385832573           0.68636955368    
S   1
  1      0.50229057542          1.0000000        
S   1
  1      0.17962723420          1.0000000        
S   1
  1      0.61133095854E-01            1.0000000        
P   5
  1    666.50423284             0.23632663836E-02      
  2    157.64241690             0.18879300374E-01      
  3     50.262520978            0.87206341273E-01      
  4     18.536078105            0.25285612970    
  5      7.2940532777           0.43507154820    
P   1
  1      2.9433248995           1.0000000        
P   1
  1      1.0404970818           1.0000000        
P   1
  1      0.38456415080          1.0000000        
P   1
  1      0.13069642732          1.0000000        
P   1
  1      0.35381580722E-01            1.0000000        
D   2
  1      4.6100000000           0.20000000000    
  2      1.0110000000           1.0000000000     
D   1
  1      0.33900000000          1.0000000        
D   1
  1      0.99601358790E-01            1.0000000        
F   1
  1      0.70600000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ar
data:
ARGON
S   7
  1  79111.4229980              0.51029325002E-03      
  2  11864.7460090              0.39463036981E-02      
  3   2700.1642973              0.20307073910E-01      
  4    763.95943485             0.79691825214E-01      
  5    248.45150561             0.23420623836    
  6     88.283581000            0.44833849481    
  7     32.948607069            0.36408167400    
S   3
  1    142.55358000             0.26387407001E-01      
  2     44.163688009            0.11226433999    
  3      8.9524995000          -0.26178922001    
S   2
  1      4.5546920941           1.3002484998     
  2      2.1444079001           0.67197237009    
S   1
  1      0.60708777004          1.0000000        
S   1
  1      0.21651431999          1.0000000        
S   1
  1      0.73732186754E-01            1.0000000        
P   5
  1    776.77541998             0.22028005003E-02      
  2    183.80107018             0.17694180008E-01      
  3     58.694003175            0.82431293717E-01      
  4     21.701591695            0.24207278863    
  5      8.5821489635           0.42263558251    
P   1
  1      3.4922679161           1.0000000        
P   1
  1      1.2637426998           1.0000000        
P   1
  1      0.46607870005          1.0000000        
P   1
  1      0.15766003000          1.0000000        
P   1
  1      0.41779128551E-01            1.0000000        
D   2
  1      5.5510000000           0.20000000000    
  2      1.2350000000           1.0000000000     
D   1
  1      0.41200000000          1.0000000        
D   1
  1      0.12039311859          1.0000000        
F   1
  1      0.89000000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: K
data:
POTASSIUM
S   8
  1 153976.1832500              0.23662636107E-03      
  2  23082.4976720              0.18342929137E-02      
  3   5253.2344745              0.95310527769E-02      
  4   1486.9550133              0.38638406980E-01      
  5    484.06333726             0.12480768502    
  6    173.56653980             0.29278861009    
  7     67.116381464            0.40633425860    
  8     26.339502054            0.20077215860    
S   4
  1    172.87693567            -0.24200960936E-01      
  2     53.058649063           -0.11553095040    
  3      7.9212753964           0.57455545175    
  4      3.2108880472           0.57023185107    
S   2
  1      4.5662070895          -0.22615763466    
  2      0.70209907282          0.75528392045    
S   1
  1      0.28258942635          1.0000000        
S   1
  1      0.35805824617E-01            1.0000000        
S   1
  1      0.15819213245E-01            1.0000000        
P   6
  1    728.18449873             0.26150689792E-02      
  2    172.13265061             0.20673630835E-01      
  3     54.829847075            0.93205603870E-01      
  4     20.166266494            0.25436518210    
  5      7.8610728806           0.39131132810    
  6      3.1105213132           0.22481345943    
P   3
  1     11.757337492           -0.25777289217E-01      
  2      1.5139617411           0.57359428604    
  3      0.58328591795          1.0798320002     
P   1
  1      0.21570478076          1.0000000        
P   1
  1      0.41737000000E-01            1.0000000        
P   1
  1      0.15208000000E-01            1.0000000        
D   1
  1      0.93000000000          1.0000000        
D   1
  1      0.18000000000          1.0000000        
D   1
  1      0.54000000000E-01            1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ca
data:
CALCIUM
S   8
  1 172517.3268500              0.23317502546E-03      
  2  25861.5192750              0.18076521980E-02      
  3   5885.6618668              0.93943844255E-02      
  4   1665.9730031              0.38108409009E-01      
  5    542.36718148             0.12331203853    
  6    194.57803492             0.29004470954    
  7     75.303597636            0.40587151157    
  8     29.574062589            0.20398410743    
S   4
  1    191.20074660            -0.24419759759E-01      
  2     58.840299883           -0.11547027448    
  3      8.9642540845           0.56356636717    
  4      3.6856960541           0.56709682704    
S   2
  1      5.2464289726          -0.22825334325    
  2      0.84862621528          0.72625219172    
S   1
  1      0.36743300538          1.0000000        
S   1
  1      0.66821582613E-01            1.0000000        
S   1
  1      0.26759730445E-01            1.0000000        
P   6
  1    836.97262058             0.25258346092E-02      
  2    197.93040142             0.20076506686E-01      
  3     63.135558054            0.91302987366E-01      
  4     23.282687170            0.25247029915    
  5      9.1176444932           0.39426326344    
  6      3.6336120139           0.23011559492    
P   3
  1     13.494163120           -0.26495021951E-01      
  2      1.8139259790           0.55088108210    
  3      0.71981826006          1.0280616620     
P   1
  1      0.27629576992          1.0000000        
P   1
  1      0.74979000000E-01            1.0000000        
P   1
  1      0.26927000000E-01            1.0000000        
D   2
  1      5.4979093879           0.73770011433E-01      
  2      1.3177128032           0.26052853169    
D   1
  1      0.32188682649          1.0000000        
D   1
  1      0.70528614919E-01            1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Sc
data:
SCANDIUM
S   8
  1 191612.9187400              0.23076475942E-03      
  2  28723.8503630              0.17890329946E-02      
  3   6537.0116490              0.92990401140E-02      
  4   1850.3097171              0.37739438011E-01      
  5    602.38855156             0.12227148359    
  6    216.17324766             0.28814821470    
  7     83.712517880            0.40517543099    
  8     32.908707189            0.20566019623    
S   4
  1    211.34393234            -0.24527991462E-01      
  2     65.128920139           -0.11570158142    
  3     10.034311535            0.55995283317    
  4      4.1596884597           0.56087765073    
S   2
  1      6.0009041613          -0.22840494325    
  2      0.98255784150          0.71948970378    
S   1
  1      0.42483192773          1.0000000        
S   1
  1      0.77185462096E-01            1.0000000        
S   1
  1      0.30147219702E-01            1.0000000        
P   6
  1    947.34122823             0.24737208744E-02      
  2    224.09699732             0.19742967060E-01      
  3     71.560334882            0.90357147549E-01      
  4     26.444824490            0.25201602503    
  5     10.393798285            0.39675535929    
  6      4.1606304559           0.23208624517    
P   3
  1     15.565737135           -0.27129423974E-01      
  2      2.1121544865           0.55109256629    
  3      0.84184709021          1.0090635806     
P   1
  1      0.32297542652          1.0000000        
P   1
  1      0.89748000000E-01            1.0000000        
P   1
  1      0.22452578888E-01            1.0000000        
D   4
  1     30.989390993            0.11902837431E-01      
  2      8.6905465069           0.67655856850E-01      
  3      2.9520256337           0.21332539722    
  4      1.0761910745           0.38391075578    
D   1
  1      0.38338915095          1.0000000        
D   1
  1      0.12534686113          1.0000000        
D   1
  1      0.41000000000E-01            1.0000000        
F   1
  1      0.34500000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ti
data:
TITANIUM
S   8
  1 211575.6902500              0.23318151011E-03      
  2  31714.9450580              0.18079690851E-02      
  3   7217.5476543              0.93984311352E-02      
  4   2042.9394247              0.38156853618E-01      
  5    665.12896208             0.12374757197    
  6    238.74942264             0.29208551143    
  7     92.508691001            0.41226800855    
  8     36.403919209            0.21090534061    
S   4
  1    232.72624607            -0.24920140738E-01      
  2     71.791209711           -0.11746490087    
  3     11.158534615            0.56503342318    
  4      4.6548135416           0.56211101812    
S   2
  1      6.8034629174          -0.23011425503    
  2      1.1201076403           0.72103186735    
S   1
  1      0.48080118839          1.0000000        
S   1
  1      0.85157274977E-01            1.0000000        
S   1
  1      0.32657477046E-01            1.0000000        
P   6
  1   1063.1474732              0.24690839320E-02      
  2    251.56507061             0.19773345523E-01      
  3     80.408554854            0.90987976672E-01      
  4     29.768193269            0.25559900413    
  5     11.736830556            0.40489386764    
  6      4.7142375230           0.23693402558    
P   3
  1     17.796803704           -0.27878639615E-01      
  2      2.4272698680           0.55672914668    
  3      0.96823445537          1.0055447350     
P   1
  1      0.37056694165          1.0000000        
P   1
  1      0.10156100000          1.0000000        
P   1
  1      0.22796494396E-01            1.0000000        
D   4
  1     37.713384723            0.11513835092E-01      
  2     10.692931184            0.67246343996E-01      
  3      3.6728446990           0.21484207775    
  4      1.3588590303           0.38890892779    
D   1
  1      0.49213295253          1.0000000        
D   1
  1      0.16330520653          1.0000000        
D   1
  1      0.54000000000E-01            1.0000000        
F   1
  1      0.56200000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: V
data:
VANADIUM
S   8
  1 232340.6505800              0.23072410092E-03      
  2  34828.8411700              0.17888178962E-02      
  3   7926.5448691              0.92992490131E-02      
  4   2243.7733046              0.37761463347E-01      
  5    730.59322944             0.12255909662    
  6    262.32219631             0.28963508811    
  7    101.70403805             0.41004702955    
  8     40.064784617            0.21113610858    
S   4
  1    255.24014968            -0.24458116338E-01      
  2     78.804646961           -0.11527205366    
  3     12.340598946            0.55174749453    
  4      5.1742019219           0.54504528489    
S   2
  1      7.6513894469          -0.22967638286    
  2      1.2639759898           0.71683769077    
S   1
  1      0.53861761721          1.0000000        
S   1
  1      0.92719296124E-01            1.0000000        
S   1
  1      0.34998055176E-01            1.0000000        
P   6
  1   1184.2369151              0.24449826729E-02      
  2    280.23075192             0.19643454466E-01      
  3     89.643627137            0.90796949190E-01      
  4     33.242411253            0.25650768222    
  5     13.144514452            0.40815393750    
  6      5.2948534140           0.23860378268    
P   3
  1     20.175586851           -0.28241489023E-01      
  2      2.7605865197           0.55574635619    
  3      1.1008900902           0.99319919270    
P   1
  1      0.42013310739          1.0000000        
P   1
  1      0.11124800000          1.0000000        
P   1
  1      0.25995909929E-01            1.0000000        
D   4
  1     43.861134864            0.11487174238E-01      
  2     12.516021891            0.68247153977E-01      
  3      4.3313854957           0.21837784195    
  4      1.6138855773           0.39245212296    
D   1
  1      0.58749573961          1.0000000        
D   1
  1      0.19515723011          1.0000000        
D   1
  1      0.65000000000E-01            1.0000000        
F   1
  1      0.83100000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Cr
data:
CHROMIUM
S   8
  1 254477.8070400              0.23386945693E-03      
  2  38131.7970540              0.18142601800E-02      
  3   8675.2930607              0.94363925721E-02      
  4   2455.0099848              0.38343639367E-01      
  5    799.16217787             0.12459194837    
  6    286.90021489             0.29489696029    
  7    111.25413232             0.41846149607    
  8     43.864152636            0.21633763420    
S   4
  1    279.32669173            -0.23450908111E-01      
  2     86.274732376           -0.11080370027    
  3     13.555756113            0.53028965842    
  4      5.6978112751           0.51603516947    
S   2
  1      8.5636582615          -0.38109545675    
  2      1.3988296768           1.1991591436     
S   1
  1      0.57288171116          1.0000000        
S   1
  1      0.90096171317E-01            1.0000000        
S   1
  1      0.34125885135E-01            1.0000000        
P   6
  1   1306.4398864              0.24277326185E-02      
  2    309.25311441             0.19544041017E-01      
  3     98.996273963            0.90651794553E-01      
  4     36.756916451            0.25699279154    
  5     14.566657077            0.40935504891    
  6      5.8739937432           0.23729388849    
P   3
  1     22.890999695           -0.28166026613E-01      
  2      3.0855001822           0.56034120148    
  3      1.2132329118           0.98119019650    
P   1
  1      0.44931680699          1.0000000        
P   1
  1      0.12067500000          1.0000000        
P   1
  1      0.25923467275E-01            1.0000000        
D   4
  1     43.720074476            0.13622964026E-01      
  2     12.391242652            0.78935180133E-01      
  3      4.2639442006           0.23833840000    
  4      1.5525221790           0.39526851122    
D   1
  1      0.53761929485          1.0000000        
D   1
  1      0.16493173074          1.0000000        
D   1
  1      0.51000000000E-01            1.0000000        
F   1
  1      1.1470000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Mn
data:
MANGANESE
S   8
  1 277185.0015300              0.22838385133E-03      
  2  41550.7698900              0.17707650375E-02      
  3   9455.9700152              0.92077209994E-02      
  4   2676.5206482              0.37415971825E-01      
  5    871.46687530             0.12164861426    
  6    312.98306420             0.28824392499    
  7    121.44454051             0.41041600847    
  8     47.922598829            0.21372375145    
S   4
  1    303.66723163            -0.24589926140E-01      
  2     93.881403187           -0.11602608038    
  3     14.879421214            0.55112059677    
  4      6.2865200745           0.53707560756    
S   2
  1      9.4858591337          -0.22889262695    
  2      1.5698706158           0.71196169587    
S   1
  1      0.65903213608          1.0000000        
S   1
  1      0.10686292371          1.0000000        
S   1
  1      0.39267435433E-01            1.0000000        
P   6
  1   1444.7978182              0.23994136455E-02      
  2    342.06551197             0.19369286864E-01      
  3    109.58400891             0.90236108988E-01      
  4     40.747988173            0.25745467851    
  5     16.188626566            0.41272351958    
  6      6.5484505964           0.24087700007    
P   3
  1     25.357086437           -0.28707174058E-01      
  2      3.4830168782           0.55208100712    
  3      1.3858800906           0.97226901379    
P   1
  1      0.52555094893          1.0000000        
P   1
  1      0.12765000000          1.0000000        
P   1
  1      0.30240117841E-01            1.0000000        
D   4
  1     56.563189119            0.11543245295E-01      
  2     16.278734711            0.70299845987E-01      
  3      5.6964273914           0.22450770821    
  4      2.1411147942           0.39703065434    
D   1
  1      0.78291801938          1.0000000        
D   1
  1      0.25952311214          1.0000000        
D   1
  1      0.86000000000E-01            1.0000000        
F   1
  1      1.3260000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Fe
data:
IRON
S   8
  1 300784.8463700              0.22806273096E-03      
  2  45088.9705570              0.17681788761E-02      
  3  10262.5163170              0.91927083490E-02      
  4   2905.2897293              0.37355495807E-01      
  5    946.11487137             0.12151108426    
  6    339.87832894             0.28818881468    
  7    131.94425588             0.41126612677    
  8     52.111494077            0.21518583573    
S   4
  1    329.48839267            -0.24745216477E-01      
  2    101.92332739            -0.11683089050    
  3     16.240462745            0.55293621136    
  4      6.8840675801           0.53601640182    
S   2
  1     10.470693782           -0.22912708577    
  2      1.7360039648           0.71159319984    
S   1
  1      0.72577288979          1.0000000        
S   1
  1      0.11595528203          1.0000000        
S   1
  1      0.41968227746E-01            1.0000000        
P   6
  1   1585.3959970              0.23793960179E-02      
  2    375.38006499             0.19253154755E-01      
  3    120.31816501             0.90021836536E-01      
  4     44.788749031            0.25798172356    
  5     17.829278584            0.41492649744    
  6      7.2247153786           0.24207474784    
P   3
  1     28.143219756           -0.29041755152E-01      
  2      3.8743241412           0.55312260343    
  3      1.5410752281           0.96771136842    
P   1
  1      0.58285615250          1.0000000        
P   1
  1      0.13491500000          1.0000000        
P   1
  1      0.32659193959E-01            1.0000000        
D   4
  1     61.996675034            0.11971972255E-01      
  2     17.873732552            0.73210135410E-01      
  3      6.2744782934           0.23103094314    
  4      2.3552337175           0.39910706494    
D   1
  1      0.85432239901          1.0000000        
D   1
  1      0.27869254413          1.0000000        
D   1
  1      0.91000000000E-01            1.0000000        
F   1
  1      1.5980000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Co
data:
COBALT
S   8
  1 325817.0155300              0.22568462484E-03      
  2  48839.6364530              0.17499397533E-02      
  3  11114.9373070              0.91003134097E-02      
  4   3146.1603642              0.36996256837E-01      
  5   1024.4378465              0.12044269621    
  6    368.02508816             0.28598731649    
  7    142.91229205             0.40908312004    
  8     56.482649209            0.21500145739    
S   4
  1    356.40298318            -0.24767059678E-01      
  2    110.31165215            -0.11702139134    
  3     17.659634834            0.55215522200    
  4      7.5059030479           0.53246877060    
S   2
  1     11.501807176           -0.22942470077    
  2      1.9081994606           0.71180933514    
S   1
  1      0.79396696891          1.0000000        
S   1
  1      0.12444448829          1.0000000        
S   1
  1      0.44444645379E-01            1.0000000        
P   6
  1   1731.1369144              0.23905767685E-02      
  2    409.91750438             0.19382999967E-01      
  3    131.45648578             0.90905448509E-01      
  4     48.987439714            0.26146681577    
  5     19.537078992            0.42157264570    
  6      7.9287281634           0.24571813557    
P   3
  1     31.076017584           -0.29438069973E-01      
  2      4.2835180697           0.55615568168    
  3      1.7022921563           0.96772195064    
P   1
  1      0.64202908602          1.0000000        
P   1
  1      0.14130800000          1.0000000        
P   1
  1      0.34811056587E-01            1.0000000        
D   4
  1     68.140745239            0.11983845360E-01      
  2     19.685241019            0.73688540475E-01      
  3      6.9322128825           0.23085496779    
  4      2.6025125694           0.39281059225    
D   1
  1      0.94016837302          1.0000000        
D   1
  1      0.30381457794          1.0000000        
D   1
  1      0.98000000000E-01            1.0000000        
F   1
  1      1.9030000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ni
data:
NICKEL
S   8
  1 351535.7293500              0.22529386884E-03      
  2  52695.8092830              0.17468616223E-02      
  3  11992.4682930              0.90849992136E-02      
  4   3394.5776689              0.36940748447E-01      
  5   1105.3594585              0.12032819950    
  6    397.14677769             0.28596715057    
  7    154.27542974             0.40983020196    
  8     61.018723780            0.21620642851    
S   4
  1    384.45559739            -0.24651279268E-01      
  2    119.04879199            -0.11658505277    
  3     19.137012223            0.54864126676    
  4      8.1526718562           0.52640051122    
S   2
  1     12.579408642           -0.22797884293    
  2      2.0870866081           0.70703738215    
S   1
  1      0.86432568555          1.0000000        
S   1
  1      0.13283169217          1.0000000        
S   1
  1      0.46845327726E-01            1.0000000        
P   6
  1   1883.0907486              0.23748258443E-02      
  2    445.95155320             0.19289457172E-01      
  3    143.08430815             0.90718211507E-01      
  4     53.372920722            0.26181414117    
  5     21.321919357            0.42309149832    
  6      8.6643561994           0.24641686015    
P   3
  1     34.144255211           -0.29677129163E-01      
  2      4.7122455921           0.55616824096    
  3      1.8709231845           0.96357766460    
P   1
  1      0.70370016267          1.0000000        
P   1
  1      0.14658800000          1.0000000        
P   1
  1      0.36887339850E-01            1.0000000        
D   4
  1     74.591603465            0.12077454672E-01      
  2     21.590632752            0.74637262154E-01      
  3      7.6246142580           0.23236775502    
  4      2.8632206762           0.39042651680    
D   1
  1      1.0311063388           1.0000000        
D   1
  1      0.33060760691          1.0000000        
D   1
  1      0.10600000000          1.0000000        
F   1
  1      2.1740000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Cu
data:
COPPER
S   8
  1 377518.7992300              0.22811766128E-03      
  2  56589.9843110              0.17688035931E-02      
  3  12878.7117060              0.91993460227E-02      
  4   3645.3752143              0.37411016434E-01      
  5   1187.0072945              0.12189873737    
  6    426.46421902             0.28983900714    
  7    165.70660164             0.41531872174    
  8     65.598942707            0.21905799287    
S   4
  1    414.41265811            -0.24682525053E-01      
  2    128.32056039            -0.11716827406    
  3     20.622089750            0.55301315941    
  4      8.7821226045           0.52242718609    
S   2
  1     13.741372006           -0.22736061821    
  2      2.2431246833           0.71761210873    
S   1
  1      0.89370549079          1.0000000        
S   1
  1      0.10836699534          1.0000000        
S   1
  1      0.38806178058E-01            1.0000000        
P   6
  1   2034.7596692              0.23524822298E-02      
  2    481.90468106             0.19134070751E-01      
  3    154.67482963             0.90171105278E-01      
  4     57.740576969            0.26063284735    
  5     23.099052811            0.42093485770    
  6      9.3882478591           0.24344615121    
P   3
  1     37.596171210           -0.28991094530E-01      
  2      5.1240690810           0.54919083831    
  3      2.0119996085           0.93793330488    
P   1
  1      0.73860686002          1.0000000        
P   1
  1      0.15506500000          1.0000000        
P   1
  1      0.34015997020E-01            1.0000000        
D   4
  1     74.129460637            0.14363216676E-01      
  2     21.359842587            0.86628177096E-01      
  3      7.4995240537           0.25631430541    
  4      2.7601394169           0.40374062368    
D   1
  1      0.95362061236          1.0000000        
D   1
  1      0.28420862520          1.0000000        
D   1
  1      0.85000000000E-01            1.0000000        
F   1
  1      2.2330000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Zn
data:
ZINC
S   8
  1 405924.3102800              0.22442017483E-03      
  2  60846.9557350              0.17402086626E-02      
  3  13847.3430920              0.90513339565E-02      
  4   3919.6158551              0.36817341445E-01      
  5   1276.3594167              0.12004850256    
  6    458.67254435             0.28576057621    
  7    178.28725246             0.41087462062    
  8     70.612192837            0.21816962456    
S   4
  1    443.88077950            -0.24934274984E-01      
  2    137.55875267            -0.11817955766    
  3     22.268083479            0.55367318468    
  4      9.5217310606           0.52628934936    
S   2
  1     14.874114065           -0.22929955254    
  2      2.4647517612           0.71135484742    
S   1
  1      1.0113272238           1.0000000        
S   1
  1      0.14919852089          1.0000000        
S   1
  1      0.51441872981E-01            1.0000000        
P   6
  1   2205.3508534              0.23356240448E-02      
  2    522.35300699             0.19031022634E-01      
  3    167.73055542             0.89955758675E-01      
  4     62.670045373            0.26113248631    
  5     25.109749456            0.42348448173    
  6     10.225142681            0.24618926885    
P   3
  1     40.713442521           -0.30029667592E-01      
  2      5.6247090696           0.55575254864    
  3      2.2279949116           0.95581013442    
P   1
  1      0.83354741691          1.0000000        
P   1
  1      0.16245500000          1.0000000        
P   1
  1      0.47769000000E-01            1.0000000        
P   1
  1      0.21234841485E-01            1.0000000        
D   4
  1     88.554315311            0.12728170015E-01      
  2     25.721525557            0.79394499843E-01      
  3      9.1278367624           0.24491506805    
  4      3.4312364064           0.40390526479    
D   1
  1      1.2308920645           1.0000000        
D   1
  1      0.39031845112          1.0000000        
D   1
  1      0.12400000000          1.0000000        
F   1
  1      2.6140000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ga
data:
GALLIUM
S   8
  1 435548.6625400              0.23646329650E-03      
  2  65289.5890310              0.18335271776E-02      
  3  14858.7842560              0.95371863081E-02      
  4   4205.9734729              0.38803412468E-01      
  5   1369.6416431              0.12661604848    
  6    492.30348905             0.30175310292    
  7    191.41923233             0.43543934218    
  8     75.840558665            0.23282363780    
S   4
  1    474.30810613            -0.26743707958E-01      
  2    147.10297560            -0.12654657542    
  3     23.982599435            0.58840346839    
  4     10.298230094            0.56324271589    
S   2
  1     16.050381430           -0.24516439508    
  2      2.6988468784           0.74578049593    
S   1
  1      1.1428588736           1.0000000        
S   1
  1      0.20217652251          1.0000000        
S   1
  1      0.71980152032E-01            1.0000000        
S   1
  1      0.30102057284E-01            1.0000000        
P   6
  1   2432.0171070              0.22434065928E-02      
  2    576.12049582             0.18342265336E-01      
  3    185.11584354             0.87279697167E-01      
  4     69.246572556            0.25684868351    
  5     27.818107777            0.42398378107    
  6     11.420229938            0.25701340043    
P   3
  1     42.819661530           -0.19326519119E-01      
  2      6.3885901000           0.31571386917    
  3      2.6698993326           0.57617792822    
P   1
  1      1.0781783834           1.0000000        
P   1
  1      0.22796559371          1.0000000        
P   1
  1      0.62836234833E-01            1.0000000        
D   5
  1    103.92331829             0.11464613652E-01      
  2     30.371094389            0.73625747383E-01      
  3     10.872078097            0.23505107382    
  4      4.1549137954           0.40318563513    
  5      1.5345659145           0.40824748152    
D   1
  1      0.51114263830          1.0000000        
D   1
  1      0.30622000000          1.0000000        
D   1
  1      0.11391309000          1.0000000        
D   1
  1      0.42871691594E-01            1.0000000        
F   1
  1      0.30996095000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ge
data:
GERMANIUM
S   8
  1 466115.0059200              0.22487264660E-03      
  2  69875.4207620              0.17435426729E-02      
  3  15903.2767160              0.90691482206E-02      
  4   4501.8233453              0.36906174685E-01      
  5   1466.0570924              0.12050167907    
  6    527.07841728             0.28748641703    
  7    205.00395074             0.41622321885    
  8     81.251596065            0.22397845695    
S   4
  1    505.74661282            -0.25184609291E-01      
  2    156.96593744            -0.11898929721    
  3     25.761448176            0.54930135870    
  4     11.106654687            0.52939309129    
S   2
  1     17.272059104           -0.22854595728    
  2      2.9438289048           0.68377930317    
S   1
  1      1.2839164916           1.0000000        
S   1
  1      0.25873337445          1.0000000        
S   1
  1      0.93524913177E-01            1.0000000        
S   1
  1      0.41984351140E-01            1.0000000        
P   6
  1   2633.9346241              0.22143925310E-02      
  2    624.00161628             0.18140899141E-01      
  3    200.58528404             0.86632184922E-01      
  4     75.097081525            0.25649020592    
  5     30.214388474            0.42658611262    
  6     12.440087567            0.26200527313    
P   3
  1     45.981316002           -0.20321767678E-01      
  2      6.9945654416           0.32013744527    
  3      2.9686001327           0.59051014555    
P   1
  1      1.2320988495           1.0000000        
P   1
  1      0.28981614974          1.0000000        
P   1
  1      0.85564606447E-01            1.0000000        
D   5
  1    119.44887581             0.10586544521E-01      
  2     35.062915293            0.69601280945E-01      
  3     12.636924529            0.22807035287    
  4      4.8888672922           0.40301067220    
  5      1.8453195392           0.41304847015    
D   1
  1      0.63571158892          1.0000000        
D   1
  1      0.35492132000          1.0000000        
D   1
  1      0.13155709000          1.0000000        
D   1
  1      0.56134940012E-01            1.0000000        
F   1
  1      0.36210645000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: As
data:
ARSENIC
S   8
  1 498032.4215800              0.22740196900E-03      
  2  74656.8687430              0.17632816413E-02      
  3  16990.9600040              0.91728040381E-02      
  4   4809.6200321              0.37337829344E-01      
  5   1566.2887055              0.12199536117    
  6    563.21360499             0.29137475324    
  7    219.11179978             0.42326351479    
  8     86.866061030            0.22921464278    
S   4
  1    538.19512479            -0.25254197297E-01      
  2    167.14850224            -0.11915461115    
  3     27.605517159            0.54628495980    
  4     11.947858521            0.53001520976    
S   2
  1     18.538023133           -0.23479188136    
  2      3.2018985739           0.69167053428    
S   1
  1      1.4356522077           1.0000000        
S   1
  1      0.31837805200          1.0000000        
S   1
  1      0.11622632186          1.0000000        
S   1
  1      0.50450200093E-01            1.0000000        
P   6
  1   2678.9421546              0.23318955287E-02      
  2    634.61765840             0.19042149977E-01      
  3    203.93967606             0.90229744913E-01      
  4     76.323890369            0.26169037693    
  5     30.664124943            0.41857168155    
  6     12.505056732            0.23447830190    
P   4
  1     49.256229549           -0.21235539870E-01      
  2      7.7274891466           0.30470206668    
  3      3.5410493476           0.52888373107    
  4      1.6985585501           0.37272250955    
P   1
  1      0.76848071044          1.0000000        
P   1
  1      0.30050823260          1.0000000        
P   1
  1      0.98190639437E-01            1.0000000        
D   5
  1    135.33289305             0.99291144106E-02      
  2     39.860212744            0.66568843496E-01      
  3     14.446428359            0.22275768307    
  4      5.6432900356           0.40309224382    
  5      2.1668188623           0.41671667946    
D   1
  1      0.76514970569          1.0000000        
D   1
  1      0.42434653000          1.0000000        
D   1
  1      0.16331527000          1.0000000        
D   1
  1      0.67575334568E-01            1.0000000        
F   1
  1      0.43271941000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Se
data:
SELENIUM
S   8
  1 531071.6669600              0.24108973168E-03      
  2  79603.0441170              0.18696431441E-02      
  3  18115.8442400              0.97271616536E-02      
  4   5127.8923194              0.39604793031E-01      
  5   1669.9130839              0.12948855136    
  6    600.57534527             0.30959437289    
  7    233.70021247             0.45115769216    
  8     92.672443932            0.24579189033    
S   4
  1    571.57513675            -0.26895707881E-01      
  2    177.63686375            -0.12670989353    
  3     29.517767052            0.57699001719    
  4     12.824399795            0.56369075408    
S   2
  1     19.848235841           -0.25132415534    
  2      3.4744018486           0.72905416980    
S   1
  1      1.5988910849           1.0000000        
S   1
  1      0.38333469387          1.0000000        
S   1
  1      0.14049742459          1.0000000        
S   1
  1      0.45053485505E-01            1.0000000        
P   6
  1   2815.3500566              0.25569026854E-02      
  2    666.92558298             0.20874026901E-01      
  3    214.34213188             0.98772096250E-01      
  4     80.246687942            0.28471821221    
  5     32.251081288            0.45003584934    
  6     13.106432562            0.24416091055    
P   4
  1     53.366108516           -0.21558456273E-01      
  2      8.1827777195           0.32662310638    
  3      3.6239945672           0.57740499319    
  4      1.6341591401           0.34301320826    
P   1
  1      0.58418320228          1.0000000        
P   1
  1      0.23966269279          1.0000000        
P   1
  1      0.88785134803E-01            1.0000000        
P   1
  1      0.26632920997E-01            1.0000000        
D   5
  1    151.82910279             0.93970276988E-02      
  2     44.839992523            0.64086503991E-01      
  3     16.328999510            0.21834238004    
  4      6.4305057612           0.40314789649    
  5      2.5048025169           0.41966491490    
D   1
  1      0.90271148434          1.0000000        
D   1
  1      0.47683613000          1.0000000        
D   1
  1      0.18535160000          1.0000000        
D   1
  1      0.64254758023E-01            1.0000000        
F   1
  1      0.48866905000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Br
data:
BROMINE
S   8
  1 565073.2525600              0.23660314690E-03      
  2  84701.7231790              0.18348332508E-02      
  3  19276.2719000              0.95465849860E-02      
  4   5456.4284576              0.38877142153E-01      
  5   1776.9503500              0.12718314231    
  6    639.19398276             0.30437662191    
  7    248.78823961             0.44490940497    
  8     98.678305494            0.24381643058    
S   4
  1    606.07824568            -0.26527158709E-01      
  2    188.45598484            -0.12484584809    
  3     31.497144506            0.56468683559    
  4     13.736008320            0.55555268564    
S   2
  1     21.203212766           -0.24940920493    
  2      3.7616420178           0.71213119743    
S   1
  1      1.7735933962           1.0000000        
S   1
  1      0.45197413664          1.0000000        
S   1
  1      0.16613377099          1.0000000        
S   1
  1      0.52769579657E-01            1.0000000        
P   6
  1   3019.6955723              0.24971049798E-02      
  2    715.35481126             0.20419267596E-01      
  3    229.98328751             0.96897148309E-01      
  4     86.167844615            0.28053901252    
  5     34.667870802            0.44606390473    
  6     14.113870307            0.24410073923    
P   4
  1     57.085653082           -0.21855950710E-01      
  2      8.8193845840           0.32707075320    
  3      3.9340302872           0.57855229520    
  4      1.7998830384           0.33570987698    
P   1
  1      0.66899410512          1.0000000        
P   1
  1      0.27136238231          1.0000000        
P   1
  1      0.10083790243          1.0000000        
P   1
  1      0.29005224647E-01            1.0000000        
D   5
  1    168.85370257             0.89663981988E-02      
  2     49.977949919            0.62062059316E-01      
  3     18.274913338            0.21474732384    
  4      7.2455694631           0.40335336746    
  5      2.8562315025           0.42208813080    
D   1
  1      1.0459621144           1.0000000        
D   1
  1      0.56865655000          1.0000000        
D   1
  1      0.22031490000          1.0000000        
D   1
  1      0.75865567476E-01            1.0000000        
F   1
  1      0.57083312000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Kr
data:
KRYPTON
S   8
  1 600250.9757500              0.23740610399E-03      
  2  89976.6507810              0.18410240539E-02      
  3  20476.8142250              0.95795580699E-02      
  4   5796.1554078              0.39020650488E-01      
  5   1887.5913196              0.12772645628    
  6    679.11458519             0.30596521300    
  7    264.38244511             0.44857474437    
  8    104.88368574             0.24722957327    
S   4
  1    641.47370764            -0.26745279805E-01      
  2    199.57524820            -0.12571122567    
  3     33.545462954            0.56483736390    
  4     14.683955144            0.55972765539    
S   2
  1     22.603101860           -0.25298771800    
  2      4.0650682991           0.70992159965    
S   1
  1      1.9611027060           1.0000000        
S   1
  1      0.52465147979          1.0000000        
S   1
  1      0.19332399511          1.0000000        
S   1
  1      0.61730246979E-01            1.0000000        
P   6
  1   3232.9589614              0.24885607974E-02      
  2    765.96442694             0.20379007428E-01      
  3    246.33940810             0.96977188584E-01      
  4     92.365283041            0.28199960954    
  5     37.199509551            0.45116254358    
  6     15.172166534            0.24917131496    
P   4
  1     60.931321698           -0.22173603519E-01      
  2      9.4792600646           0.32838462778    
  3      4.2564686326           0.58124997120    
  4      1.9729313762           0.32863541783    
P   1
  1      0.76337108716          1.0000000        
P   1
  1      0.30943625526          1.0000000        
P   1
  1      0.11569704458          1.0000000        
P   1
  1      0.32364688085E-01            1.0000000        
D   5
  1    186.41760904             0.86120284601E-02      
  2     55.274124345            0.60394406304E-01      
  3     20.283219120            0.21181331869    
  4      8.0884536976           0.40366293413    
  5      3.2214033853           0.42402860686    
D   1
  1      1.1952170102           1.0000000        
D   1
  1      0.64800000000          1.0000000        
D   1
  1      0.25100000000          1.0000000        
D   1
  1      0.87900125404E-01            1.0000000        
F   1
  1      0.62800000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Y
data:
YTTRIUM
S   2
  1     10.000000000           -0.17487686796    
  2      8.5000000000           0.34152345084    
S   1
  1      3.3653905454           1.0000000        
S   1
  1      0.68860679385          1.0000000        
S   1
  1      0.31191502936          1.0000000        
S   1
  1      0.70326042567E-01            1.0000000        
S   1
  1      0.27733859327E-01            1.0000000        
P   4
  1      8.0554093616           0.36410978939E-01      
  2      4.0163458751          -0.20872572547    
  3      1.0232915404           0.48956929335    
  4      0.49843561636          0.60611943833    
P   1
  1      0.23307661842          1.0000000        
P   1
  1      0.80000000000E-01            1.0000000        
P   1
  1      0.27000000000E-01            1.0000000        
D   3
  1      3.9030833060          -0.98209792625E-02      
  2      1.1363234302           0.19183629664    
  3      0.45617043877          0.40597788539    
D   1
  1      0.17470950748          1.0000000        
D   1
  1      0.61978796638E-01            1.0000000        
F   1
  1      0.26515000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Zr
data:
ZIRCONIUM
S   2
  1     11.000000000           -0.19075595257    
  2      9.5000000000           0.33895588754    
S   1
  1      3.6383667759           1.0000000        
S   1
  1      0.76822026698          1.0000000        
S   1
  1      0.34036824036          1.0000000        
S   1
  1      0.75261298085E-01            1.0000000        
S   1
  1      0.30131404705E-01            1.0000000        
P   4
  1      8.6066305543           0.40404260236E-01      
  2      4.4400979958          -0.21187745201    
  3      1.1281026946           0.49164266891    
  4      0.54346076310          0.57303370658    
P   1
  1      0.25022406048          1.0000000        
P   1
  1      0.85000000000E-01            1.0000000        
P   1
  1      0.29000000000E-01            1.0000000        
D   3
  1      4.5567957795          -0.96190569023E-02      
  2      1.2904939797           0.20569990155    
  3      0.51646987222          0.41831381851    
D   1
  1      0.19349797794          1.0000000        
D   1
  1      0.67309809967E-01            1.0000000        
F   1
  1      0.39261000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Nb
data:
NIOBIUM
S   2
  1     12.000000000           -0.20219507530    
  2     10.500000000            0.33640105939    
S   1
  1      3.9276062854           1.0000000        
S   1
  1      0.85976543258          1.0000000        
S   1
  1      0.39074087505          1.0000000        
S   1
  1      0.86387259879E-01            1.0000000        
S   1
  1      0.32906200326E-01            1.0000000        
P   4
  1      9.2056285646           0.43347689874E-01      
  2      4.8679632125          -0.21302479233    
  3      1.2442155792           0.48102127136    
  4      0.60390590312          0.53917858960    
P   1
  1      0.27967675553          1.0000000        
P   1
  1      0.90000000000E-01            1.0000000        
P   1
  1      0.30000000000E-01            1.0000000        
D   3
  1      4.6170975867          -0.13574476955E-01      
  2      1.5663438480           0.20374310496    
  3      0.66952425826          0.42997453105    
D   1
  1      0.27140946867          1.0000000        
D   1
  1      0.10054426592          1.0000000        
F   1
  1      0.52270000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Mo
data:
MOLYBDENUM
S   2
  1     14.000000000           -0.22490043406    
  2     12.500000000            0.33151248555    
S   1
  1      4.0921501803           1.0000000        
S   1
  1      0.97053602586          1.0000000        
S   1
  1      0.44217620170          1.0000000        
S   1
  1      0.92915024334E-01            1.0000000        
S   1
  1      0.35016314389E-01            1.0000000        
P   4
  1      8.8931117915           0.69994449475E-01      
  2      5.4689112270          -0.23547141883    
  3      1.3548473007           0.46315460007    
  4      0.65494867461          0.48820184710    
P   1
  1      0.30428197472          1.0000000        
P   1
  1      0.10000000000          1.0000000        
P   1
  1      0.33000000000E-01            1.0000000        
D   3
  1      5.0044445497          -0.21587364862E-01      
  2      1.7736823324           0.20958680086    
  3      0.76950591696          0.43730880599    
D   1
  1      0.31530878939          1.0000000        
D   1
  1      0.11754374390          1.0000000        
F   1
  1      0.65545000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Tc
data:
TECHNETIUM
S   2
  1     15.000000000           -0.19945408941    
  2     12.910581694            0.33689922245    
S   1
  1      4.4493321158           1.0000000        
S   1
  1      1.0548409451           1.0000000        
S   1
  1      0.47909677246          1.0000000        
S   1
  1      0.99124162989E-01            1.0000000        
S   1
  1      0.36882799789E-01            1.0000000        
P   4
  1     10.027138011            0.61481602710E-01      
  2      5.8463419741          -0.23600729385    
  3      1.4968345491           0.47746483995    
  4      0.72934632066          0.50731543496    
P   1
  1      0.33913558879          1.0000000        
P   1
  1      0.11000000000          1.0000000        
P   1
  1      0.35000000000E-01            1.0000000        
D   3
  1      5.0906268699          -0.32176405405E-01      
  2      2.0156178510           0.21280802536    
  3      0.88113887240          0.44403309175    
D   1
  1      0.36427094833          1.0000000        
D   1
  1      0.13678402297          1.0000000        
F   1
  1      0.79085000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ru
data:
RUTHENIUM
S   2
  1     16.000000000           -0.20634002919    
  2     13.910581694            0.33550437725    
S   1
  1      4.7967971407           1.0000000        
S   1
  1      1.1555425594           1.0000000        
S   1
  1      0.52455741182          1.0000000        
S   1
  1      0.10734572646          1.0000000        
S   1
  1      0.39432760192E-01            1.0000000        
P   4
  1     11.187208671            0.53225073263E-01      
  2      6.2477688734          -0.22731662050    
  3      1.6279472859           0.47869486056    
  4      0.79326493538          0.50213311567    
P   1
  1      0.36707276865          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   3
  1      5.7341846619          -0.35266111560E-01      
  2      2.2483686294           0.21802502222    
  3      0.98376978359          0.44709565013    
D   1
  1      0.40379445583          1.0000000        
D   1
  1      0.14978618173          1.0000000        
F   1
  1      0.94314000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Rh
data:
RHODIUM
S   2
  1     17.000000000           -0.16690803139    
  2     13.910581694            0.34235001652    
S   1
  1      5.2481265288           1.0000000        
S   1
  1      1.2262575928           1.0000000        
S   1
  1      0.53930216349          1.0000000        
S   1
  1      0.10130730377          1.0000000        
S   1
  1      0.37124139005E-01            1.0000000        
P   4
  1     11.767103631            0.59494859388E-01      
  2      6.7485133083          -0.23735853477    
  3      1.7502679834           0.49019334303    
  4      0.84321166133          0.50623933751    
P   1
  1      0.38295544759          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     19.857830136            0.66960778187E-02      
  2     10.061378139           -0.21981738213E-01      
  3      2.2619546477           0.37918706236    
  4      0.97098845035          0.67289976592    
D   1
  1      0.38391195297          1.0000000        
D   1
  1      0.13537026904          1.0000000        
F   1
  1      1.0949900000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Pd
data:
PALLADIUM
S   2
  1     18.000000000           -0.16605388598    
  2     14.662134308            0.34899955055    
S   1
  1      5.6388709265           1.0000000        
S   1
  1      1.3198953252           1.0000000        
S   1
  1      0.57817908509          1.0000000        
S   1
  1      0.10352166239          1.0000000        
S   1
  1      0.37548442674E-01            1.0000000        
P   4
  1     12.552899300            0.61728998206E-01      
  2      7.2444496380          -0.24178626753    
  3      1.8905941078           0.49453200915    
  4      0.90737168760          0.50454362626    
P   1
  1      0.40877210813          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     22.357457575            0.39559479546E-02      
  2     10.682526382           -0.14039011601E-01      
  3      2.4858232550           0.24219476776    
  4      1.0735333903           0.42580283281    
D   1
  1      0.42613842853          1.0000000        
D   1
  1      0.15046355385          1.0000000        
F   1
  1      1.2462900000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ag
data:
SILVER
S   2
  1     19.000000000           -0.16600104141    
  2     15.428199933            0.35665095918    
S   1
  1      6.0553507268           1.0000000        
S   1
  1      1.4162368935           1.0000000        
S   1
  1      0.61758635858          1.0000000        
S   1
  1      0.10474197431          1.0000000        
S   1
  1      0.37685106264E-01            1.0000000        
P   4
  1     13.188180180            0.66928737147E-01      
  2      7.7952789138          -0.24735235409    
  3      2.0351571912           0.49154280216    
  4      0.98093914842          0.49741609006    
P   1
  1      0.44451179958          1.0000000        
P   1
  1      0.13000000000          1.0000000        
P   1
  1      0.41200000000E-01            1.0000000        
D   4
  1     25.784397351            0.35645063082E-02      
  2     11.396636755           -0.12984262784E-01      
  3      2.7345581361           0.24108826548    
  4      1.1873583605           0.42412330744    
D   1
  1      0.47316910566          1.0000000        
D   1
  1      0.16746017986          1.0000000        
F   1
  1      1.3971100000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Cd
data:
CADMIUM
S   2
  1     20.000000000           -0.17401196927    
  2     16.309051661            0.37137277194    
S   1
  1      6.4512709901           1.0000000        
S   1
  1      1.5350047390           1.0000000        
S   1
  1      0.68983631523          1.0000000        
S   1
  1      0.13475720977          1.0000000        
S   1
  1      0.47416874527E-01            1.0000000        
P   4
  1     14.000681404            0.69333062793E-01      
  2      8.3094019872          -0.25420103681    
  3      2.2020058122           0.49200980368    
  4      1.0779246137           0.49702118131    
P   1
  1      0.50111879846          1.0000000        
P   1
  1      0.16000000000          1.0000000        
P   1
  1      0.51600000000E-01            1.0000000        
D   4
  1     30.380789793            0.32545123835E-02      
  2     11.474551578           -0.14212074843E-01      
  3      3.0507394903           0.24961756436    
  4      1.3622028524           0.44905635176    
D   1
  1      0.56399409888          1.0000000        
D   1
  1      0.20916686535          1.0000000        
F   1
  1      1.5981300000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: In
data:
INDIUM
S   4
  1    847.79276774             0.12432052471E-03      
  2     72.041054824            0.23600367607E-02      
  3     41.061316522           -0.85588299453E-02      
  4     12.407609713            0.62952032489    
S   2
  1     11.640316941            1.5543429200     
  2      6.3695642727           0.67492488361    
S   1
  1      1.7063236353           1.0000000        
S   1
  1      0.78666967936          1.0000000        
S   1
  1      0.16965196873          1.0000000        
S   1
  1      0.62074858667E-01            1.0000000        
S   1
  1      0.21521728159E-01            1.0000000        
P   3
  1    268.28136685             0.11542193636E-03      
  2     14.781553782            0.77779830292E-01      
  3      8.8041476194          -0.28332389472    
P   3
  1      2.3717277227           0.47896111744    
  2      1.1927065422           0.48293819961    
  3      0.58352812041          0.16843883728    
P   1
  1      0.23280968310          1.0000000        
P   1
  1      0.88674065208E-01            1.0000000        
P   1
  1      0.33598828267E-01            1.0000000        
D   6
  1     94.282575063            0.43652729696E-03      
  2     19.716431102            0.63918753088    
  3     19.600106824           -0.64663115577    
  4      3.5643186737           0.21187579614    
  5      1.7017801400           0.42129321741    
  6      0.76456615531          0.38418127707    
D   1
  1      0.31826765584          1.0000000        
D   1
  1      0.10000000000          1.0000000        
D   1
  1      0.32239251448E-01            1.0000000        
F   1
  1      0.26415991000          1.0000000        
F   1
  1      0.90000000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Sn
data:
TIN
S   4
  1   1577.0715931              0.17042767713E-03      
  2    235.26601078             0.81467057272E-03      
  3     38.206330645           -0.39057904293E-02      
  4     13.097031765            0.53245922343    
S   2
  1     11.681492759            1.5435287275     
  2      5.9647604361           0.76421510041    
S   1
  1      1.8891070740           1.0000000        
S   1
  1      0.88514080630          1.0000000        
S   1
  1      0.20500105152          1.0000000        
S   1
  1      0.76748551032E-01            1.0000000        
S   1
  1      0.29138072540E-01            1.0000000        
P   3
  1    221.55767496             0.31125177983E-03      
  2     21.084021433            0.31108097016E-01      
  3      8.7600138521          -0.27571560918    
P   3
  1      2.5912909722           0.45912328666    
  2      1.3426801157           0.49682867217    
  3      0.67732735829          0.18962377821    
P   1
  1      0.29418756752          1.0000000        
P   1
  1      0.11863762052          1.0000000        
P   1
  1      0.46215750632E-01            1.0000000        
D   6
  1    108.33210154             0.46561853277E-03      
  2     23.703936630            0.54063163067E-01      
  3     22.339843906           -0.58928768877E-01      
  4      4.0874834028           0.19588500896    
  5      1.9737354146           0.42301799185    
  6      0.90158257692          0.39252716176    
D   1
  1      0.38237153649          1.0000000        
D   1
  1      0.12000000000          1.0000000        
D   1
  1      0.42090514124E-01            1.0000000        
F   1
  1      0.29392848500          1.0000000        
F   1
  1      1.0000000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Sb
data:
ANTIMONY
S   4
  1   1612.4199933              0.28540380783E-03      
  2    238.84452097             0.13393778746E-02      
  3     23.998118809           -0.49388154574E-01      
  4     15.193124213            0.43392227254    
S   2
  1     11.736409733            0.92125519965    
  2      6.5259774794           0.79235280226    
S   1
  1      2.0247451872           1.0000000        
S   1
  1      0.97113418587          1.0000000        
S   1
  1      0.24254333998          1.0000000        
S   1
  1      0.92206608177E-01            1.0000000        
S   1
  1      0.36577483213E-01            1.0000000        
P   3
  1    215.68393354             0.26051823221E-03      
  2     16.374479088            0.73728000195E-01      
  3      9.7216283345          -0.27230028128    
P   3
  1      2.7982643154           0.46472692374    
  2      1.4711045033           0.50364242075    
  3      0.75165385301          0.18706666294    
P   1
  1      0.33168699849          1.0000000        
P   1
  1      0.13931606366          1.0000000        
P   1
  1      0.56399307526E-01            1.0000000        
D   6
  1    115.90312253             0.53140915051E-03      
  2     30.474233720            0.59411139166E-02      
  3     18.228418239           -0.10563706947E-01      
  4      4.3291456646           0.20348177341    
  5      2.1294818496           0.42748378928    
  6      0.99682636692          0.38539560809    
D   1
  1      0.43347239863          1.0000000        
D   1
  1      0.14000000000          1.0000000        
D   1
  1      0.51699812575E-01            1.0000000        
F   1
  1      0.32369706000          1.0000000        
F   1
  1      1.1000000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Te
data:
TELLURIUM
S   5
  1   6213.2001650              0.17392073280E-03      
  2    920.89640017             0.11933589842E-02      
  3    199.28042708             0.36256556777E-02      
  4     24.774233098           -0.59791033012E-01      
  5     14.838199169            0.95943203263    
S   2
  1     12.278761954            0.75942429936    
  2      6.3807845532           0.35331689542    
S   1
  1      2.2228405205           1.0000000        
S   1
  1      1.0776043442           1.0000000        
S   1
  1      0.28136649025          1.0000000        
S   1
  1      0.10781573341          1.0000000        
S   1
  1      0.37606937094E-01            1.0000000        
P   3
  1    204.29400852             0.40605406751E-03      
  2     18.208759358            0.60255451613E-01      
  3      9.9211024302          -0.27491671277    
P   3
  1      3.1441528685           0.43154849974    
  2      1.7220884031           0.55403079110    
  3      0.89098945714          0.24087311227    
P   1
  1      0.39804719568          1.0000000        
P   1
  1      0.16538785242          1.0000000        
P   1
  1      0.65082695586E-01            1.0000000        
P   1
  1      0.20434738696E-01            1.0000000        
D   6
  1    121.51055249             0.63490629024E-03      
  2     32.968794396            0.61811936324E-02      
  3     19.249862451           -0.88929825218E-02      
  4      4.7198407254           0.20159884764    
  5      2.3428061416           0.42976049013    
  6      1.1135379412           0.38247126751    
D   1
  1      0.49200061510          1.0000000        
D   1
  1      0.16000000000          1.0000000        
D   1
  1      0.55086030619E-01            1.0000000        
F   1
  1      0.38255757000          1.0000000        
F   1
  1      1.8500000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: I
data:
IODINE
S   5
  1   5899.5791533              0.24188269271E-03      
  2    898.54238765             0.15474041742E-02      
  3    200.37237912             0.42836684457E-02      
  4     31.418053840           -0.39417936275E-01      
  5     15.645987838            0.96086691992    
S   2
  1     11.815741857            0.75961524091    
  2      6.4614458287           0.42495501835    
S   1
  1      2.3838067579           1.0000000        
S   1
  1      1.1712089662           1.0000000        
S   1
  1      0.32115875757          1.0000000        
S   1
  1      0.12387919364          1.0000000        
S   1
  1      0.43491550641E-01            1.0000000        
P   3
  1    197.30030547             0.73951226905E-03      
  2     20.061411349            0.66168450008E-01      
  3      9.7631460485          -0.28554662348    
P   4
  1     12.984316904           -0.49096186164E-01      
  2      3.6199503008           0.38914432482    
  3      2.0232273090           0.65610817262    
  4      1.0367490559           0.31803551647    
P   1
  1      0.45937816000          1.0000000        
P   1
  1      0.19116532928          1.0000000        
P   1
  1      0.74878813023E-01            1.0000000        
P   1
  1      0.21653491846E-01            1.0000000        
D   6
  1    119.12671745             0.82596039573E-03      
  2     33.404240134            0.68377675770E-02      
  3     17.805918203           -0.10308158997E-01      
  4      4.8990510353           0.22670457658    
  5      2.4516753106           0.44180113937    
  6      1.1820693432           0.36775472225    
D   1
  1      0.52923110068          1.0000000        
D   1
  1      0.17000000000          1.0000000        
D   1
  1      0.61341708807E-01            1.0000000        
F   1
  1      0.44141808000          1.0000000        
F   1
  1      2.1800000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Cs
data:
CESIUM
S   3
  1      5.8778113443           0.12859994983    
  2      4.3631538286          -0.34632569725    
  3      1.8048475155           0.69930637051    
S   1
  1      0.37485237136          1.0000000        
S   1
  1      0.16384858778          1.0000000        
S   1
  1      0.27230462048E-01            1.0000000        
S   1
  1      0.11991533212E-01            1.0000000        
P   4
  1      4.2751856154           0.45723074174E-01      
  2      1.9656663360          -0.25019961976    
  3      0.47689195212          0.55660850066    
  4      0.21529749588          0.58218553406    
P   1
  1      0.91450850296E-01            1.0000000        
P   1
  1      0.40000000000E-01            1.0000000        
P   1
  1      0.14000000000E-01            1.0000000        
D   1
  1      0.27941471548          1.0000000        
D   1
  1      0.62419809739E-01            1.0000000        
D   1
  1      0.15987870156E-01            1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ba
data:
BARIUM
S   2
  1      6.0000000000          -0.56587174838    
  2      4.9822082226           0.97514768535    
S   1
  1      2.1451943914           1.0000000        
S   1
  1      0.41486174100          1.0000000        
S   1
  1      0.19214757016          1.0000000        
S   1
  1      0.48465890337E-01            1.0000000        
S   1
  1      0.20138298948E-01            1.0000000        
P   4
  1      5.5000000000          -0.44586312998    
  2      4.9017938336           0.67755479813    
  3      2.6142685062          -0.46010554954    
  4      0.47903394983          0.68749608021    
P   1
  1      0.19415138747          1.0000000        
P   1
  1      0.34917622027E-01            1.0000000        
P   1
  1      0.16320065666E-01            1.0000000        
D   3
  1      0.96631500000         -0.90893800000    
  2      0.89382800000          0.94724000000    
  3      0.27319500000          0.32205700000    
D   1
  1      0.10389100000          1.0000000        
D   1
  1      0.35578000000E-01            1.0000000        
F   1
  1      0.65760000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: La
data:
LANTHANUM
S   2
  1      5.0873990000          -0.44174952534    
  2      4.2709780000           0.85812466843    
S   1
  1      2.1823656045           1.0000000        
S   1
  1      0.48966533785          1.0000000        
S   1
  1      0.23301675348          1.0000000        
S   1
  1      0.55719523051E-01            1.0000000        
S   1
  1      0.22854708808E-01            1.0000000        
P   4
  1      6.0000000000          -0.11397960924E-01      
  2      3.6808191615           0.14675038550    
  3      2.3265462081          -0.35581819167    
  4      0.64342629633          0.45834955229    
P   1
  1      0.33584281962          1.0000000        
P   1
  1      0.16519051916          1.0000000        
P   1
  1      0.35400000000E-01            1.0000000        
P   1
  1      0.20573221543E-01            1.0000000        
D   3
  1      1.2675288018          -0.17569274035    
  2      0.89395340284          0.25139922933    
  3      0.33095767339          0.44603267053    
D   1
  1      0.13461377501          1.0000000        
D   1
  1      0.51441629839E-01            1.0000000        
F   1
  1      0.25683000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Hf
data:
HAFNIUM
S   4
  1     24.000000000            0.19369448644    
  2     16.000000000           -3.5064630782     
  3     14.400000000            4.3082581000     
  4     10.304504667           -0.91045809742    
S   1
  1      3.8426510824           1.0000000        
S   1
  1      0.93296029049          1.0000000        
S   1
  1      0.42615320942          1.0000000        
S   1
  1      0.93366560195E-01            1.0000000        
S   1
  1      0.35532895141E-01            1.0000000        
P   4
  1     17.000000000           -0.30316491880E-01      
  2     11.738072097            0.10139279686    
  3      4.9203967161          -0.28227924657    
  4      1.1251726138           0.52032008501    
P   1
  1      0.54220114055          1.0000000        
P   1
  1      0.25659447877          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
P   1
  1      0.27141733701E-01            1.0000000        
D   3
  1      3.9820623229          -0.42446023944E-01      
  2      1.3077987772           0.18409232564    
  3      0.53272310298          0.41484423516    
D   1
  1      0.20564954488          1.0000000        
D   1
  1      0.73099858787E-01            1.0000000        
F   1
  1      0.31547000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ta
data:
TANTALUM
S   4
  1     24.473650944            0.20590322488    
  2     18.721372549           -0.74670795514    
  3     11.500000000            3.4071363897     
  4     10.350000000           -2.8175487609     
S   1
  1      3.8436180089           1.0000000        
S   1
  1      1.0202266016           1.0000000        
S   1
  1      0.46774781869          1.0000000        
S   1
  1      0.10323186670          1.0000000        
S   1
  1      0.38674461203E-01            1.0000000        
P   4
  1     17.000000000           -0.32577305616E-01      
  2     12.008186536            0.10336287365    
  3      5.0278760583          -0.28526521696    
  4      1.1937124184           0.51790141155    
P   1
  1      0.57889707053          1.0000000        
P   1
  1      0.27225198801          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
P   1
  1      0.27701105074E-01            1.0000000        
D   3
  1      3.9738796278          -0.52799310714E-01      
  2      1.4528884813           0.18558319471    
  3      0.61042908544          0.42959071631    
D   1
  1      0.24216276510          1.0000000        
D   1
  1      0.87909318337E-01            1.0000000        
F   1
  1      0.37386000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: W
data:
TUNGSTEN
S   3
  1     30.000000000            0.32246483410    
  2     27.000000000           -0.46692257214    
  3     13.078045684            0.42699563776    
S   1
  1      4.8100449717           1.0000000        
S   1
  1      0.98497804263          1.0000000        
S   1
  1      0.44910485344          1.0000000        
S   1
  1      0.11448352920          1.0000000        
S   1
  1      0.41720421956E-01            1.0000000        
P   4
  1     17.000000000           -0.37817768433E-01      
  2     12.431973432            0.10905673845    
  3      5.1586217658          -0.29399955020    
  4      1.2801454812           0.51560726697    
P   1
  1      0.62856790898          1.0000000        
P   1
  1      0.29380423553          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
P   1
  1      0.27938779011E-01            1.0000000        
D   4
  1      7.4064737315           0.86993963018E-01      
  2      5.9026268603          -0.17667540011    
  3      1.2984756750           0.55145697030    
  4      0.57153508541          0.95313596535    
D   1
  1      0.23845526606          1.0000000        
D   1
  1      0.91144267331E-01            1.0000000        
F   1
  1      0.43199000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Re
data:
RHENIUM
S   3
  1     30.000000000            0.31780717811    
  2     27.000000000           -0.46492321332    
  3     13.078045684            0.45723641305    
S   1
  1      5.0352712861           1.0000000        
S   1
  1      1.0482706438           1.0000000        
S   1
  1      0.47708773413          1.0000000        
S   1
  1      0.12225857255          1.0000000        
S   1
  1      0.44007400609E-01            1.0000000        
P   4
  1     18.000000000           -0.26890962397E-01      
  2     12.318606250            0.99711498502E-01      
  3      5.3719234505          -0.29289398145    
  4      1.3506646748           0.51466301434    
P   1
  1      0.66212816808          1.0000000        
P   1
  1      0.31071385193          1.0000000        
P   1
  1      0.70000000000E-01            1.0000000        
P   1
  1      0.29651190664E-01            1.0000000        
D   4
  1      7.7352877672           0.83901798556E-01      
  2      6.0949443610          -0.17722258734    
  3      1.3871105497           0.55238259692    
  4      0.62324027854          0.91980111239    
D   1
  1      0.26517328547          1.0000000        
D   1
  1      0.10321096849          1.0000000        
F   1
  1      0.48989000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Os
data:
OSMIUM
S   3
  1     30.000000000            0.32213004804    
  2     27.000000000           -0.47922918137    
  3     13.524730005            0.47465946837    
S   1
  1      5.2402883472           1.0000000        
S   1
  1      1.1306661245           1.0000000        
S   1
  1      0.51689966917          1.0000000        
S   1
  1      0.13222953545          1.0000000        
S   1
  1      0.47220318801E-01            1.0000000        
P   4
  1     15.500000000            0.16016463376    
  2     14.000000000           -0.23201520402    
  3      5.5458290420           0.29772587274    
  4      1.4139502215          -0.54253238176    
P   1
  1      0.68136686765          1.0000000        
P   1
  1      0.30911452647          1.0000000        
P   1
  1      0.52000000000E-01            1.0000000        
P   1
  1      0.20765932045E-01            1.0000000        
D   4
  1      8.2945059487           0.69648222110E-01      
  2      6.3060397430          -0.16444229630    
  3      1.4890109110           0.55154541033    
  4      0.67315390607          0.88461370291    
D   1
  1      0.28590805222          1.0000000        
D   1
  1      0.11058012051          1.0000000        
F   1
  1      0.55065000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Ir
data:
IRIDIUM
S   3
  1     30.000000000            0.30797903228    
  2     27.000000000           -0.46726361781    
  3     13.961973911            0.47161003146    
S   1
  1      5.3956977802           1.0000000        
S   1
  1      1.2149128721           1.0000000        
S   1
  1      0.55885743756          1.0000000        
S   1
  1      0.14097974313          1.0000000        
S   1
  1      0.50021924989E-01            1.0000000        
P   4
  1     15.902664143           -0.16290720099    
  2     14.415830698            0.23483212987    
  3      5.7597608991          -0.30305337176    
  4      1.5008913108           0.55512982069    
P   1
  1      0.72348035957          1.0000000        
P   1
  1      0.32785980328          1.0000000        
P   1
  1      0.56000000000E-01            1.0000000        
P   1
  1      0.22945585397E-01            1.0000000        
D   4
  1      8.6321692504           0.75000099949E-01      
  2      6.5898192302          -0.17326965173    
  3      1.5808379663           0.55065196913    
  4      0.71827834905          0.85273641436    
D   1
  1      0.30571851998          1.0000000        
D   1
  1      0.11827071879          1.0000000        
F   1
  1      0.61008000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Pt
data:
PLATINUM
S   3
  1     30.000000000            0.27148263900    
  2     27.000000000           -0.42226758774    
  3     14.408318564            0.44361581995    
S   1
  1      5.5335788010           1.0000000        
S   1
  1      1.2986438223           1.0000000        
S   1
  1      0.58759393108          1.0000000        
S   1
  1      0.13845587261          1.0000000        
S   1
  1      0.49204459888E-01            1.0000000        
P   4
  1     15.500000000           -0.15672718629    
  2     14.000000000            0.23853412989    
  3      6.1161212339          -0.31041379733    
  4      1.5715586385           0.56473525089    
P   1
  1      0.75132510781          1.0000000        
P   1
  1      0.33306466812          1.0000000        
P   1
  1      0.57000000000E-01            1.0000000        
P   1
  1      0.20441532514E-01            1.0000000        
D   4
  1      8.3207937611           0.62945798646E-01      
  2      7.4207226520          -0.90271847072E-01      
  3      1.6570410639           0.16812526416    
  4      0.73943569960          0.25045416970    
D   1
  1      0.30510856008          1.0000000        
D   1
  1      0.11350405268          1.0000000        
F   1
  1      0.66813000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Au
data:
GOLD
S   3
  1     30.000000000            0.20749231108    
  2     27.000000000           -0.33267893394    
  3     14.746824331            0.38302817958    
S   1
  1      5.6017248938           1.0000000        
S   1
  1      1.3874162443           1.0000000        
S   1
  1      0.62923031957          1.0000000        
S   1
  1      0.14027517613          1.0000000        
S   1
  1      0.49379413761E-01            1.0000000        
P   4
  1     15.500000000            0.15001711880    
  2     14.000000000           -0.23609813183    
  3      6.4227368205           0.31458896948    
  4      1.6595601681          -0.57279670446    
P   1
  1      0.79402913993          1.0000000        
P   1
  1      0.35125155397          1.0000000        
P   1
  1      0.45000000000E-01            1.0000000        
P   1
  1      0.11801737494          1.0000000        
D   4
  1      9.5524098656           0.40145559502E-01      
  2      7.2698886937          -0.93690906606E-01      
  3      1.7746496789           0.31746282317    
  4      0.79960541055          0.46795192483    
D   1
  1      0.33252279372          1.0000000        
D   1
  1      0.12445133105          1.0000000        
F   1
  1      0.72482000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Hg
data:
MERCURY
S   3
  1     48.013786990            0.58008164912E-02      
  2     21.239875095           -0.17328165235    
  3     15.876100879            0.36416685034    
S   1
  1      5.5180531820           1.0000000        
S   1
  1      1.5099145479           1.0000000        
S   1
  1      0.70683482159          1.0000000        
S   1
  1      0.16266265576          1.0000000        
S   1
  1      0.56960589112E-01            1.0000000        
P   4
  1     17.500000000           -0.86457187331E-01      
  2     15.252594855            0.15327318234    
  3      6.4404715169          -0.30274955249    
  4      1.8180159920           0.54361285026    
P   1
  1      0.90067981801          1.0000000        
P   1
  1      0.41304540122          1.0000000        
P   1
  1      0.11845702655          1.0000000        
P   1
  1      0.36087619349E-01            1.0000000        
P   1
  1      0.60299307803E-01            1.0000000        
D   4
  1     10.028197701            0.39922353165E-01      
  2      7.5920661493          -0.94774230522E-01      
  3      1.9144256118           0.31164157463    
  4      0.88641552102          0.45567078406    
D   1
  1      0.38154235320          1.0000000        
D   1
  1      0.14880740086          1.0000000        
F   1
  1      0.79569000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Tl
data:
THALLIUM
S   4
  1    729.65038145             0.13672829828E-03      
  2     46.665548707            0.60443439951E-02      
  3     20.970448726           -0.20022066697    
  4     14.149588677            0.40801678488    
S   2
  1     20.730134285           -0.71861135918E-01      
  2      6.1527631309           0.98057508445    
S   1
  1      1.5757324480           1.0000000        
S   1
  1      0.74980169458          1.0000000        
S   1
  1      0.19536816194          1.0000000        
S   1
  1      0.70878767298E-01            1.0000000        
S   1
  1      0.21250403123E-01            1.0000000        
P   3
  1     15.383852616            0.61717949180    
  2     14.814929544           -0.72859235151    
  3      6.7261253658           0.40438195364    
P   3
  1      1.9626182149           0.43157661160    
  2      1.0331857851           0.39230403853    
  3      0.53837445996          0.14007406820    
P   1
  1      0.24446611676          1.0000000        
P   1
  1      0.90785377260E-01            1.0000000        
P   1
  1      0.33401321498E-01            1.0000000        
D   6
  1     57.606819928            0.16054811114E-03      
  2      9.7368866667           0.24456562496E-01      
  3      6.9256201679          -0.69914775031E-01      
  4      2.1396230731           0.19496269490    
  5      1.0836187110           0.29731629705    
  6      0.52356298209          0.23728708102    
D   1
  1      0.23842309375          1.0000000        
D   1
  1      0.95000000000E-01            1.0000000        
D   1
  1      0.30807799761E-01            1.0000000        
F   1
  1      0.28435000000          1.0000000        
F   1
  1      0.95000000000          1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Pb
data:
LEAD
S   4
  1    591.61124370             0.22126521076E-03      
  2     46.757232559            0.56961959130E-02      
  3     20.746462696           -0.21374063831    
  4     14.610796419            0.40502620616    
S   2
  1     20.222637612           -0.83541883299E-01      
  2      6.4767324865           0.97910892388    
S   1
  1      1.6600600927           1.0000000        
S   1
  1      0.80431655001          1.0000000        
S   1
  1      0.22627039020          1.0000000        
S   1
  1      0.84014530665E-01            1.0000000        
S   1
  1      0.28533321717E-01            1.0000000        
P   3
  1     15.189102118            0.61952303583    
  2     14.693144415           -0.72498497086    
  3      6.8705890048           0.37680007984    
P   3
  1      2.2021426123           0.40196284806    
  2      1.2209125119           0.46058131862    
  3      0.63367559815          0.19367655397    
P   1
  1      0.28202837058          1.0000000        
P   1
  1      0.11333375666          1.0000000        
P   1
  1      0.43948707430E-01            1.0000000        
D   6
  1     61.315369628            0.33870800787E-03      
  2     12.372195840            0.13788683942E-01      
  3      6.9254944983          -0.75979608103E-01      
  4      2.3319539939           0.28113784298    
  5      1.2108730003           0.44474512269    
  6      0.60090478506          0.35326874351    
D   1
  1      0.28135869813          1.0000000        
D   1
  1      0.11500000000          1.0000000        
D   1
  1      0.40071342706E-01            1.0000000        
F   1
  1      0.28962000000          1.0000000        
F   1
  1      1.0000000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Bi
data:
BISMUTH
S   4
  1    716.41435310             0.31254307133E-03      
  2     83.806059047            0.17624768946E-02      
  3     21.116962853           -0.21910983437    
  4     15.491448187            0.40411224931    
S   2
  1     23.239855029           -0.68255758685E-01      
  2      6.6474255000           0.97888046471    
S   1
  1      1.7617744005           1.0000000        
S   1
  1      0.87252866000          1.0000000        
S   1
  1      0.25618895997          1.0000000        
S   1
  1      0.97073913006E-01            1.0000000        
S   1
  1      0.35808906242E-01            1.0000000        
P   3
  1     15.249644669            0.74560356000    
  2     14.846176053           -0.85578637338    
  3      7.0636826784           0.40149159592    
P   3
  1      2.5881255616           0.35542729633    
  2      1.5020208499           0.63976991890    
  3      0.76732724388          0.32332773839    
P   1
  1      0.32797648982          1.0000000        
P   1
  1      0.13820335991          1.0000000        
P   1
  1      0.55137330969E-01            1.0000000        
D   6
  1     66.404481948            0.38102878348E-03      
  2     13.858426961            0.10746152442E-01      
  3      7.0654519000          -0.71947646845E-01      
  4      2.5252144035           0.26195974989    
  5      1.3419585000           0.42594750000    
  6      0.68340941000          0.33680325627    
D   1
  1      0.32934755420          1.0000000        
D   1
  1      0.14000000000          1.0000000        
D   1
  1      0.50194378647E-01            1.0000000        
F   1
  1      0.31271000000          1.0000000        
F   1
  1      1.0500000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: Po
data:
POLONIUM
S   5
  1   6744.8211765              0.76891556363E-04      
  2    744.41892532             0.71284827354E-03      
  3    131.04029309             0.22057583958E-02      
  4     19.662021030           -0.64364713744    
  5     16.623025609            0.91997150546    
S   2
  1     23.094002965           -0.70404410177E-01      
  2      6.9707398381           0.97886540086    
S   1
  1      1.8497377593           1.0000000        
S   1
  1      0.93082999263          1.0000000        
S   1
  1      0.28673026462          1.0000000        
S   1
  1      0.10979212169          1.0000000        
S   1
  1      0.35812540416E-01            1.0000000        
P   3
  1    253.99024497             0.83876362116E-04      
  2      9.8712718748           0.24572710458    
  3      7.4489893496          -0.44297763661    
P   4
  1      8.9027395407          -0.13798250445    
  2      5.7414667465           0.26304005326    
  3      1.9896329823           0.66225846161    
  4      0.94703210822          0.39547051892    
P   1
  1      0.37071136280          1.0000000        
P   1
  1      0.15554706086          1.0000000        
P   1
  1      0.61173720818E-01            1.0000000        
P   1
  1      0.19437729576E-01            1.0000000        
D   6
  1     67.943077046            0.48919125336E-03      
  2     14.914219894            0.10157120776E-01      
  3      7.2973948305          -0.69943263066E-01      
  4      2.6826784400           0.26244730680    
  5      1.4374143009           0.42702361494    
  6      0.73903797417          0.32502435477    
D   1
  1      0.35838153281          1.0000000        
D   1
  1      0.15000000000          1.0000000        
D   1
  1      0.51710661379E-01            1.0000000        
F   1
  1      0.33275000000          1.0000000        
F   1
  1      1.4000000000           1.0000000        


name: Def2-TZVPD
description: def2-TZVPD Triple-Zeta-Valence basis set + Polarization + Diffuse basis functions
elt: At
data:
ASTATINE
S   5
  1   3635.9809356              0.12571463494E-03      
  2    537.64129823             0.75950883820E-03      
  3     91.600030756            0.25790982348E-02      
  4     20.200005804           -0.54772187699    
  5     16.893873824            0.78417507786    
S   2
  1     18.177216938           -0.13023627002    
  2      7.2317852082           0.96473566747    
S   1
  1      1.9496199739           1.0000000        
S   1
  1      0.99226695236          1.0000000        
S   1
  1      0.31957178881          1.0000000        
S   1
  1      0.12342539809          1.0000000        
S   1
  1      0.40936378211E-01            1.0000000        
P   3
  1    216.81518928             0.16975297090E-03      
  2     10.592298115            0.22683755793    
  3      7.4596585430          -0.47336848377    
P   4
  1      8.9484156471          -0.15012953475    
  2      5.9694592464           0.27048141788    
  3      2.1099088209           0.63671217722    
  4      1.0236370373           0.38057472615    
P   1
  1      0.42186356565          1.0000000        
P   1
  1      0.17757132268          1.0000000        
P   1
  1      0.69670886939E-01            1.0000000        
P   1
  1      0.20397906578E-01            1.0000000        
D   6
  1     70.619633393            0.59974022914E-03      
  2     16.212096478            0.93445952839E-02      
  3      7.3607401479          -0.70748413897E-01      
  4      2.9309052592           0.24037366077    
  5      1.6085414823           0.41841372624    
  6      0.84194162715          0.32832651044    
D   1
  1      0.41335677957          1.0000000        
D   1
  1      0.17400000000          1.0000000        
D   1
  1      0.59789898654E-01            1.0000000        
F   1
  1      0.37408000000          1.0000000        
F   1
  1      1.8000000000           1.0000000        


name: Def2-TZVPP
description: N/A
elt: H
data:
HYDROGEN
S   3
  1     34.0613410              0.60251978E-02   
  2      5.1235746              0.45021094E-01   
  3      1.1646626              0.20189726       
S   1
  1      0.32723041             1.0000000        
S   1
  1      0.10307241             1.0000000        
P   1
  1      1.40700000             1.0000000        
P   1
  1      0.38800000             1.0000000        
D   1
  1      1.05700000             1.0000000        


name: Def2-TZVPP
description: N/A
elt: He
data:
HELIUM
S   3
  1     98.078321616            0.75803064967E-02      
  2     14.764404247            0.54848620937E-01      
  3      3.3185831473           0.22074382186    
S   1
  1      0.87413869551          1.0000000        
S   1
  1      0.24459897208          1.0000000        
P   1
  1      3.04400000             1.0000000        
P   1
  1      0.75800000             1.0000000        
D   1
  1      1.96500000             1.0000000        


name: Def2-TZVPP
description: N/A
elt: Li
data:
LITHIUM
S   6
  1   6269.2628010              0.20540968826E-03      
  2    940.31612431             0.15916554089E-02      
  3    214.22107528             0.82869829707E-02      
  4     60.759840184            0.33856374249E-01      
  5     19.915152032            0.11103225876    
  6      7.3171509797           0.27449383329    
S   2
  1      2.9724674216           0.23792456411    
  2      1.2639852314           0.30765411924    
S   1
  1      0.51427489953          1.0000000        
S   1
  1      0.77030885901E-01            1.0000000        
S   1
  1      0.28938896433E-01            1.0000000        
P   1
  1      0.4000000              1.0000000        
P   1
  1      0.0600000              1.0000000        
P   1
  1      3.3270000              1.0000000        
D   1
  1      0.1319000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Al
data:
ALUMINUM
S   7
  1  37792.5507720              0.57047888709E-03      
  2   5668.0682165              0.44093016538E-02      
  3   1289.8582841              0.22630967411E-01      
  4    364.86596028             0.88025644295E-01      
  5    118.57631515             0.25223701612    
  6     42.024867605            0.45960547169    
  7     15.499501629            0.33277886014    
S   3
  1     75.208026598            0.19250560190E-01      
  2     23.031408972            0.87906743952E-01      
  3      3.6348797649          -0.34246704535    
S   2
  1      1.6065049957           1.5106266058     
  2      0.76103394581          0.58071016470    
S   1
  1      0.16556708849          1.0000000        
S   1
  1      0.60041577113E-01            1.0000000        
P   5
  1    452.52303192             0.23110812466E-02      
  2    107.08195049             0.18568641823E-01      
  3     34.131021255            0.87216237035E-01      
  4     12.587037428            0.26902101523    
  5      4.9811919704           0.52128324272    
P   1
  1      2.0070350900           1.0000000        
P   1
  1      0.80083714374          1.0000000        
P   1
  1      0.20178927472          1.0000000        
P   1
  1      0.57895550392E-01            1.0000000        
D   1
  1      1.57000000             1.0000000        
D   1
  1      0.333000000            1.0000000        
D   1
  1      0.111000000            1.0000000        
F   1
  1      0.244000000            1.0000000        


name: Def2-TZVPP
description: N/A
elt: Si
data:
SILICON
S   7
  1  44773.3580780              0.55914765868E-03      
  2   6717.1992104              0.43206040189E-02      
  3   1528.8960325              0.22187096460E-01      
  4    432.54746585             0.86489249116E-01      
  5    140.61505226             0.24939889716    
  6     49.857636724            0.46017197366    
  7     18.434974885            0.34250236575    
S   3
  1     86.533886111            0.21300063007E-01      
  2     26.624606846            0.94676139318E-01      
  3      4.4953057159          -0.32616264859    
S   2
  1      2.1035045710           1.3980803850     
  2      1.0106094922           0.63865786699    
S   1
  1      0.23701751489          1.0000000        
S   1
  1      0.85703405362E-01            1.0000000        
P   5
  1    394.47503628             0.26285693959E-02      
  2     93.137683104            0.20556257749E-01      
  3     29.519608742            0.92070262801E-01      
  4     10.781663791            0.25565889739    
  5      4.1626574778           0.42111707185    
P   1
  1      1.6247972989           1.0000000        
P   1
  1      0.54306660493          1.0000000        
P   1
  1      0.20582073956          1.0000000        
P   1
  1      0.70053487306E-01            1.0000000        
D   1
  1      2.30300000             1.0000000        
D   1
  1      0.476000000            1.0000000        
D   1
  1      0.160000000            1.0000000        
F   1
  1      0.336000000            1.0000000        


name: Def2-TZVPP
description: N/A
elt: P
data:
PHOSPHOROUS
S   7
  1  52426.9992330              0.55207164100E-03      
  2   7863.2660552              0.42678595308E-02      
  3   1789.5227333              0.21931529186E-01      
  4    506.27300165             0.85667168373E-01      
  5    164.60698546             0.24840686605    
  6     58.391918722            0.46336753971    
  7     21.643663201            0.35350558156    
S   3
  1     99.013837620            0.21895679958E-01      
  2     30.550439817            0.95650470295E-01      
  3      5.4537087661          -0.29454270186    
S   2
  1      2.6503362563           1.3294381200     
  2      1.2726688867           0.66109396473    
S   1
  1      0.31645005203          1.0000000        
S   1
  1      0.11417466938          1.0000000        
P   5
  1    472.27219248             0.25710623052E-02      
  2    111.58882756             0.20250297999E-01      
  3     35.445936418            0.91580716787E-01      
  4     12.990776875            0.25749454014    
  5      5.0486221658           0.42862899758    
P   1
  1      1.9934049566           1.0000000        
P   1
  1      0.66527284430          1.0000000        
P   1
  1      0.25516832128          1.0000000        
P   1
  1      0.90357762251E-01            1.0000000        
D   1
  1      3.12000000             1.0000000        
D   1
  1      0.648000000            1.0000000        
D   1
  1      0.218000000            1.0000000        
F   1
  1      0.452000000            1.0000000        


name: Def2-TZVPP
description: N/A
elt: S
data:
SULFUR
S   7
  1  60700.9281040              0.54695944225E-03      
  2   9102.6106854              0.42297224557E-02      
  3   2071.4166009              0.21747824159E-01      
  4    586.02476821             0.85100053589E-01      
  5    190.55395021             0.24799128459    
  6     67.630384260            0.46703640406    
  7     25.127306905            0.36434587550    
S   3
  1    112.57463010             0.21670040240E-01      
  2     34.795554217            0.93602301760E-01      
  3      6.5115556215          -0.26068001422    
S   2
  1      3.2399032261           1.2842089435     
  2      1.5477160881           0.66036416584    
S   1
  1      0.40541030112          1.0000000        
S   1
  1      0.14550651059          1.0000000        
P   5
  1    564.36716027             0.24796796317E-02      
  2    133.42624379             0.19677930250E-01      
  3     42.468271189            0.89980008258E-01      
  4     15.616527580            0.25705880575    
  5      6.1093988469           0.43515167292    
P   1
  1      2.4404160198           1.0000000        
P   1
  1      0.83882201296          1.0000000        
P   1
  1      0.31288746900          1.0000000        
P   1
  1      0.10770109004          1.0000000        
D   1
  1      3.75600000             1.0000000        
D   1
  1      0.812000000            1.0000000        
D   1
  1      0.273000000            1.0000000        
F   1
  1      0.557000000            1.0000000        


name: Def2-TZVPP
description: N/A
elt: Cl
data:
CHLORINE
S   7
  1  69507.9909450              0.54314897497E-03      
  2  10426.1568800              0.41990463961E-02      
  3   2373.2334061              0.21592141679E-01      
  4    671.56420071             0.84598850094E-01      
  5    218.41999790             0.24757249724    
  6     77.572249714            0.47016930228    
  7     28.888815277            0.37436370716    
S   3
  1    127.10527185             0.25182166603E-01      
  2     39.339582961            0.10786112456    
  3      7.6740679989          -0.27408821574    
S   2
  1      3.8745627630           1.3213875014     
  2      1.8385832573           0.68636955368    
S   1
  1      0.50229057542          1.0000000        
S   1
  1      0.17962723420          1.0000000        
P   5
  1    666.50423284             0.23632663836E-02      
  2    157.64241690             0.18879300374E-01      
  3     50.262520978            0.87206341273E-01      
  4     18.536078105            0.25285612970    
  5      7.2940532777           0.43507154820    
P   1
  1      2.9433248995           1.0000000        
P   1
  1      1.0404970818           1.0000000        
P   1
  1      0.38456415080          1.0000000        
P   1
  1      0.13069642732          1.0000000        
D   1
  1      4.61000000             1.0000000        
D   1
  1      1.01100000             1.0000000        
D   1
  1      0.339000000            1.0000000        
F   1
  1      0.706000000            1.0000000        


name: Def2-TZVPP
description: N/A
elt: Ar
data:
ARGON
S   7
  1  79111.4229980              0.51029325002E-03      
  2  11864.7460090              0.39463036981E-02      
  3   2700.1642973              0.20307073910E-01      
  4    763.95943485             0.79691825214E-01      
  5    248.45150561             0.23420623836    
  6     88.283581000            0.44833849481    
  7     32.948607069            0.36408167400    
S   3
  1    142.55358000             0.26387407001E-01      
  2     44.163688009            0.11226433999    
  3      8.9524995000          -0.26178922001    
S   2
  1      4.5546920941           1.3002484998     
  2      2.1444079001           0.67197237009    
S   1
  1      0.60708777004          1.0000000        
S   1
  1      0.21651431999          1.0000000        
P   5
  1    776.77541998             0.22028005003E-02      
  2    183.80107018             0.17694180008E-01      
  3     58.694003175            0.82431293717E-01      
  4     21.701591695            0.24207278863    
  5      8.5821489635           0.42263558251    
P   1
  1      3.4922679161           1.0000000        
P   1
  1      1.2637426998           1.0000000        
P   1
  1      0.46607870005          1.0000000        
P   1
  1      0.15766003000          1.0000000        
D   1
  1      5.55100000             1.0000000        
D   1
  1      1.23500000             1.0000000        
D   1
  1      0.412000000            1.0000000        
F   1
  1      0.890000000            1.0000000        


name: Def2-TZVPP
description: N/A
elt: Sc
data:
SCANDIUM
S   8
  1 191612.9187400              0.23076475942E-03      
  2  28723.8503630              0.17890329946E-02      
  3   6537.0116490              0.92990401140E-02      
  4   1850.3097171              0.37739438011E-01      
  5    602.38855156             0.12227148359    
  6    216.17324766             0.28814821470    
  7     83.712517880            0.40517543099    
  8     32.908707189            0.20566019623    
S   4
  1    211.34393234            -0.24527991462E-01      
  2     65.128920139           -0.11570158142    
  3     10.034311535            0.55995283317    
  4      4.1596884597           0.56087765073    
S   2
  1      6.0009041613          -0.22840494325    
  2      0.98255784150          0.71948970378    
S   1
  1      0.42483192773          1.0000000        
S   1
  1      0.77185462096E-01            1.0000000        
S   1
  1      0.30147219702E-01            1.0000000        
P   6
  1    947.34122823             0.24737208744E-02      
  2    224.09699732             0.19742967060E-01      
  3     71.560334882            0.90357147549E-01      
  4     26.444824490            0.25201602503    
  5     10.393798285            0.39675535929    
  6      4.1606304559           0.23208624517    
P   3
  1     15.565737135           -0.27129423974E-01      
  2      2.1121544865           0.55109256629    
  3      0.84184709021          1.0090635806     
P   1
  1      0.32297542652          1.0000000        
P   1
  1      0.1239000              1.0000000        
P   1
  1      0.0475300              1.0000000        
D   4
  1     30.989390993            0.11902837431E-01      
  2      8.6905465069           0.67655856850E-01      
  3      2.9520256337           0.21332539722    
  4      1.0761910745           0.38391075578    
D   1
  1      0.38338915095          1.0000000        
D   1
  1      0.12534686113          1.0000000        
D   1
  1      0.0410000              1.0000000        
F   1
  1      0.4420000              1.0000000        
F   1
  1      0.1100000              1.0000000        
G   1
  1      0.2470000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Ti
data:
TITANIUM
S   8
  1 211575.6902500              0.23318151011E-03      
  2  31714.9450580              0.18079690851E-02      
  3   7217.5476543              0.93984311352E-02      
  4   2042.9394247              0.38156853618E-01      
  5    665.12896208             0.12374757197    
  6    238.74942264             0.29208551143    
  7     92.508691001            0.41226800855    
  8     36.403919209            0.21090534061    
S   4
  1    232.72624607            -0.24920140738E-01      
  2     71.791209711           -0.11746490087    
  3     11.158534615            0.56503342318    
  4      4.6548135416           0.56211101812    
S   2
  1      6.8034629174          -0.23011425503    
  2      1.1201076403           0.72103186735    
S   1
  1      0.48080118839          1.0000000        
S   1
  1      0.85157274977E-01            1.0000000        
S   1
  1      0.32657477046E-01            1.0000000        
P   6
  1   1063.1474732              0.24690839320E-02      
  2    251.56507061             0.19773345523E-01      
  3     80.408554854            0.90987976672E-01      
  4     29.768193269            0.25559900413    
  5     11.736830556            0.40489386764    
  6      4.7142375230           0.23693402558    
P   3
  1     17.796803704           -0.27878639615E-01      
  2      2.4272698680           0.55672914668    
  3      0.96823445537          1.0055447350     
P   1
  1      0.37056694165          1.0000000        
P   1
  1      0.1418000              1.0000000        
P   1
  1      0.0542700              1.0000000        
D   4
  1     37.713384723            0.11513835092E-01      
  2     10.692931184            0.67246343996E-01      
  3      3.6728446990           0.21484207775    
  4      1.3588590303           0.38890892779    
D   1
  1      0.49213295253          1.0000000        
D   1
  1      0.16330520653          1.0000000        
D   1
  1      0.0540000              1.0000000        
F   1
  1      0.2539000              1.0000000        
F   1
  1      1.0750000              1.0000000        
G   1
  1      0.6340000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: V
data:
VANADIUM
S   8
  1 232340.6505800              0.23072410092E-03      
  2  34828.8411700              0.17888178962E-02      
  3   7926.5448691              0.92992490131E-02      
  4   2243.7733046              0.37761463347E-01      
  5    730.59322944             0.12255909662    
  6    262.32219631             0.28963508811    
  7    101.70403805             0.41004702955    
  8     40.064784617            0.21113610858    
S   4
  1    255.24014968            -0.24458116338E-01      
  2     78.804646961           -0.11527205366    
  3     12.340598946            0.55174749453    
  4      5.1742019219           0.54504528489    
S   2
  1      7.6513894469          -0.22967638286    
  2      1.2639759898           0.71683769077    
S   1
  1      0.53861761721          1.0000000        
S   1
  1      0.92719296124E-01            1.0000000        
S   1
  1      0.34998055176E-01            1.0000000        
P   6
  1   1184.2369151              0.24449826729E-02      
  2    280.23075192             0.19643454466E-01      
  3     89.643627137            0.90796949190E-01      
  4     33.242411253            0.25650768222    
  5     13.144514452            0.40815393750    
  6      5.2948534140           0.23860378268    
P   3
  1     20.175586851           -0.28241489023E-01      
  2      2.7605865197           0.55574635619    
  3      1.1008900902           0.99319919270    
P   1
  1      0.42013310739          1.0000000        
P   1
  1      0.1603000              1.0000000        
P   1
  1      0.0611900              1.0000000        
D   4
  1     43.861134864            0.11487174238E-01      
  2     12.516021891            0.68247153977E-01      
  3      4.3313854957           0.21837784195    
  4      1.6138855773           0.39245212296    
D   1
  1      0.58749573961          1.0000000        
D   1
  1      0.19515723011          1.0000000        
D   1
  1      0.0650000              1.0000000        
F   1
  1      1.7080000              1.0000000        
F   1
  1      0.3980000              1.0000000        
G   1
  1      1.0090000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Cr
data:
CHROMIUM
S   8
  1 254477.8070400              0.23386945693E-03      
  2  38131.7970540              0.18142601800E-02      
  3   8675.2930607              0.94363925721E-02      
  4   2455.0099848              0.38343639367E-01      
  5    799.16217787             0.12459194837    
  6    286.90021489             0.29489696029    
  7    111.25413232             0.41846149607    
  8     43.864152636            0.21633763420    
S   4
  1    279.32669173            -0.23450908111E-01      
  2     86.274732376           -0.11080370027    
  3     13.555756113            0.53028965842    
  4      5.6978112751           0.51603516947    
S   2
  1      8.5636582615          -0.38109545675    
  2      1.3988296768           1.1991591436     
S   1
  1      0.57288171116          1.0000000        
S   1
  1      0.90096171317E-01            1.0000000        
S   1
  1      0.34125885135E-01            1.0000000        
P   6
  1   1306.4398864              0.24277326185E-02      
  2    309.25311441             0.19544041017E-01      
  3     98.996273963            0.90651794553E-01      
  4     36.756916451            0.25699279154    
  5     14.566657077            0.40935504891    
  6      5.8739937432           0.23729388849    
P   3
  1     22.890999695           -0.28166026613E-01      
  2      3.0855001822           0.56034120148    
  3      1.2132329118           0.98119019650    
P   1
  1      0.44931680699          1.0000000        
P   1
  1      0.1664000              1.0000000        
P   1
  1      0.0616300              1.0000000        
D   4
  1     43.720074476            0.13622964026E-01      
  2     12.391242652            0.78935180133E-01      
  3      4.2639442006           0.23833840000    
  4      1.5525221790           0.39526851122    
D   1
  1      0.53761929485          1.0000000        
D   1
  1      0.16493173074          1.0000000        
D   1
  1      0.0510000              1.0000000        
F   1
  1      2.3410000              1.0000000        
F   1
  1      0.5420000              1.0000000        
G   1
  1      1.3820000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Mn
data:
MANGANESE
S   8
  1 277185.0015300              0.22838385133E-03      
  2  41550.7698900              0.17707650375E-02      
  3   9455.9700152              0.92077209994E-02      
  4   2676.5206482              0.37415971825E-01      
  5    871.46687530             0.12164861426    
  6    312.98306420             0.28824392499    
  7    121.44454051             0.41041600847    
  8     47.922598829            0.21372375145    
S   4
  1    303.66723163            -0.24589926140E-01      
  2     93.881403187           -0.11602608038    
  3     14.879421214            0.55112059677    
  4      6.2865200745           0.53707560756    
S   2
  1      9.4858591337          -0.22889262695    
  2      1.5698706158           0.71196169587    
S   1
  1      0.65903213608          1.0000000        
S   1
  1      0.10686292371          1.0000000        
S   1
  1      0.39267435433E-01            1.0000000        
P   6
  1   1444.7978182              0.23994136455E-02      
  2    342.06551197             0.19369286864E-01      
  3    109.58400891             0.90236108988E-01      
  4     40.747988173            0.25745467851    
  5     16.188626566            0.41272351958    
  6      6.5484505964           0.24087700007    
P   3
  1     25.357086437           -0.28707174058E-01      
  2      3.4830168782           0.55208100712    
  3      1.3858800906           0.97226901379    
P   1
  1      0.52555094893          1.0000000        
P   1
  1      0.1993000              1.0000000        
P   1
  1      0.0755700              1.0000000        
D   4
  1     56.563189119            0.11543245294532D-01      
  2     16.278734711            0.70299845987196D-01      
  3      5.6964273914           0.22450770821295 
  4      2.1411147942           0.39703065434226 
D   1
  1      0.78291801938          1.0000000        
D   1
  1      0.25952311214          1.0000000        
D   1
  1      0.0860000              1.0000000        
F   1
  1      2.9750000              1.0000000        
F   1
  1      0.7200000              1.0000000        
G   1
  1      1.7550000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Fe
data:
IRON
S   8
  1 300784.8463700              0.22806273096E-03      
  2  45088.9705570              0.17681788761E-02      
  3  10262.5163170              0.91927083490E-02      
  4   2905.2897293              0.37355495807E-01      
  5    946.11487137             0.12151108426    
  6    339.87832894             0.28818881468    
  7    131.94425588             0.41126612677    
  8     52.111494077            0.21518583573    
S   4
  1    329.48839267            -0.24745216477E-01      
  2    101.92332739            -0.11683089050    
  3     16.240462745            0.55293621136    
  4      6.8840675801           0.53601640182    
S   2
  1     10.470693782           -0.22912708577    
  2      1.7360039648           0.71159319984    
S   1
  1      0.72577288979          1.0000000        
S   1
  1      0.11595528203          1.0000000        
S   1
  1      0.41968227746E-01            1.0000000        
P   6
  1   1585.3959970              0.23793960179E-02      
  2    375.38006499             0.19253154755E-01      
  3    120.31816501             0.90021836536E-01      
  4     44.788749031            0.25798172356    
  5     17.829278584            0.41492649744    
  6      7.2247153786           0.24207474784    
P   3
  1     28.143219756           -0.29041755152E-01      
  2      3.8743241412           0.55312260343    
  3      1.5410752281           0.96771136842    
P   1
  1      0.58285615250          1.0000000        
P   1
  1      0.2204000              1.0000000        
P   1
  1      0.0833800              1.0000000        
D   4
  1     61.996675034            0.11971972255E-01      
  2     17.873732552            0.73210135410E-01      
  3      6.2744782934           0.23103094314    
  4      2.3552337175           0.39910706494    
D   1
  1      0.85432239901          1.0000000        
D   1
  1      0.27869254413          1.0000000        
D   1
  1      0.0910000              1.0000000        
F   1
  1      3.4650000              1.0000000        
F   1
  1      0.8430000              1.0000000        
G   1
  1      2.1280000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Co
data:
COBALT
S   8
  1 325817.0155300              0.22568462484E-03      
  2  48839.6364530              0.17499397533E-02      
  3  11114.9373070              0.91003134097E-02      
  4   3146.1603642              0.36996256837E-01      
  5   1024.4378465              0.12044269621    
  6    368.02508816             0.28598731649    
  7    142.91229205             0.40908312004    
  8     56.482649209            0.21500145739    
S   4
  1    356.40298318            -0.24767059678E-01      
  2    110.31165215            -0.11702139134    
  3     17.659634834            0.55215522200    
  4      7.5059030479           0.53246877060    
S   2
  1     11.501807176           -0.22942470077    
  2      1.9081994606           0.71180933514    
S   1
  1      0.79396696891          1.0000000        
S   1
  1      0.12444448829          1.0000000        
S   1
  1      0.44444645379E-01            1.0000000        
P   6
  1   1731.1369144              0.23905767685E-02      
  2    409.91750438             0.19382999967E-01      
  3    131.45648578             0.90905448509E-01      
  4     48.987439714            0.26146681577    
  5     19.537078992            0.42157264570    
  6      7.9287281634           0.24571813557    
P   3
  1     31.076017584           -0.29438069973E-01      
  2      4.2835180697           0.55615568168    
  3      1.7022921563           0.96772195064    
P   1
  1      0.64202908602          1.0000000        
P   1
  1      0.2421000              1.0000000        
P   1
  1      0.0913200              1.0000000        
D   4
  1     68.140745239            0.11983845360E-01      
  2     19.685241019            0.73688540475E-01      
  3      6.9322128825           0.23085496779    
  4      2.6025125694           0.39281059225    
D   1
  1      0.94016837302          1.0000000        
D   1
  1      0.30381457794          1.0000000        
D   1
  1      0.0980000              1.0000000        
F   1
  1      3.9550000              1.0000000        
F   1
  1      0.9650000              1.0000000        
G   1
  1      2.5000000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Ni
data:
NICKEL
S   8
  1 351535.7293500              0.22529386884E-03      
  2  52695.8092830              0.17468616223E-02      
  3  11992.4682930              0.90849992136E-02      
  4   3394.5776689              0.36940748447E-01      
  5   1105.3594585              0.12032819950    
  6    397.14677769             0.28596715057    
  7    154.27542974             0.40983020196    
  8     61.018723780            0.21620642851    
S   4
  1    384.45559739            -0.24651279268E-01      
  2    119.04879199            -0.11658505277    
  3     19.137012223            0.54864126676    
  4      8.1526718562           0.52640051122    
S   2
  1     12.579408642           -0.22797884293    
  2      2.0870866081           0.70703738215    
S   1
  1      0.86432568555          1.0000000        
S   1
  1      0.13283169217          1.0000000        
S   1
  1      0.46845327726E-01            1.0000000        
P   6
  1   1883.0907486              0.23748258443E-02      
  2    445.95155320             0.19289457172E-01      
  3    143.08430815             0.90718211507E-01      
  4     53.372920722            0.26181414117    
  5     21.321919357            0.42309149832    
  6      8.6643561994           0.24641686015    
P   3
  1     34.144255211           -0.29677129163E-01      
  2      4.7122455921           0.55616824096    
  3      1.8709231845           0.96357766460    
P   1
  1      0.70370016267          1.0000000        
P   1
  1      0.2646000              1.0000000        
P   1
  1      0.0995500              1.0000000        
D   4
  1     74.591603465            0.12077454672E-01      
  2     21.590632752            0.74637262154E-01      
  3      7.6246142580           0.23236775502    
  4      2.8632206762           0.39042651680    
D   1
  1      1.0311063388           1.0000000        
D   1
  1      0.33060760691          1.0000000        
D   1
  1      0.1060000              1.0000000        
F   1
  1      4.4460000              1.0000000        
F   1
  1      1.0870000              1.0000000        
G   1
  1      2.8720000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Cu
data:
COPPER
S   8
  1 377518.7992300              0.22811766128E-03      
  2  56589.9843110              0.17688035931E-02      
  3  12878.7117060              0.91993460227E-02      
  4   3645.3752143              0.37411016434E-01      
  5   1187.0072945              0.12189873737    
  6    426.46421902             0.28983900714    
  7    165.70660164             0.41531872174    
  8     65.598942707            0.21905799287    
S   4
  1    414.41265811            -0.24682525053E-01      
  2    128.32056039            -0.11716827406    
  3     20.622089750            0.55301315941    
  4      8.7821226045           0.52242718609    
S   2
  1     13.741372006           -0.22736061821    
  2      2.2431246833           0.71761210873    
S   1
  1      0.89370549079          1.0000000        
S   1
  1      0.10836699534          1.0000000        
S   1
  1      0.38806178058E-01            1.0000000        
P   6
  1   2034.7596692              0.23524822298E-02      
  2    481.90468106             0.19134070751E-01      
  3    154.67482963             0.90171105278E-01      
  4     57.740576969            0.26063284735    
  5     23.099052811            0.42093485770    
  6      9.3882478591           0.24344615121    
P   3
  1     37.596171210           -0.28991094530E-01      
  2      5.1240690810           0.54919083831    
  3      2.0119996085           0.93793330488    
P   1
  1      0.73860686002          1.0000000        
P   1
  1      0.2711000              1.0000000        
P   1
  1      0.0995400              1.0000000        
D   4
  1     74.129460637            0.14363216676E-01      
  2     21.359842587            0.86628177096E-01      
  3      7.4995240537           0.25631430541    
  4      2.7601394169           0.40374062368    
D   1
  1      0.95362061236          1.0000000        
D   1
  1      0.28420862520          1.0000000        
D   1
  1      0.0850000              1.0000000        
F   1
  1      1.2090000              1.0000000        
F   1
  1      4.9360000              1.0000000        
G   1
  1      3.2450000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Zn
data:
ZINC
S   8
  1 405924.3102800              0.22442017483E-03      
  2  60846.9557350              0.17402086626E-02      
  3  13847.3430920              0.90513339565E-02      
  4   3919.6158551              0.36817341445E-01      
  5   1276.3594167              0.12004850256    
  6    458.67254435             0.28576057621    
  7    178.28725246             0.41087462062    
  8     70.612192837            0.21816962456    
S   4
  1    443.88077950            -0.24934274984E-01      
  2    137.55875267            -0.11817955766    
  3     22.268083479            0.55367318468    
  4      9.5217310606           0.52628934936    
S   2
  1     14.874114065           -0.22929955254    
  2      2.4647517612           0.71135484742    
S   1
  1      1.0113272238           1.0000000        
S   1
  1      0.14919852089          1.0000000        
S   1
  1      0.51441872981E-01            1.0000000        
P   6
  1   2205.3508534              0.23356240448E-02      
  2    522.35300699             0.19031022634E-01      
  3    167.73055542             0.89955758675E-01      
  4     62.670045373            0.26113248631    
  5     25.109749456            0.42348448173    
  6     10.225142681            0.24618926885    
P   3
  1     40.713442521           -0.30029667592E-01      
  2      5.6247090696           0.55575254864    
  3      2.2279949116           0.95581013442    
P   1
  1      0.83354741691          1.0000000        
P   1
  1      0.1624550              1.0000000        
P   1
  1      0.0477690              1.0000000        
D   4
  1     88.554315311            0.12728170015E-01      
  2     25.721525557            0.79394499843E-01      
  3      9.1278367624           0.24491506805    
  4      3.4312364064           0.40390526479    
D   1
  1      1.2308920645           1.0000000        
D   1
  1      0.39031845112          1.0000000        
D   1
  1      0.1240000              1.0000000        
F   1
  1      1.4330000              1.0000000        
F   1
  1      5.6940000              1.0000000        
G   1
  1      3.6170000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Rb
data:
RUBIDIUM
S   2
  1      7.4744618040           0.26997866363    
  2      6.7296180594          -0.42629251814    
S   1
  1      2.7816640004           1.0000000        
S   1
  1      0.53452175148          1.0000000        
S   1
  1      0.22368793034          1.0000000        
S   1
  1      0.32410407052E-01            1.0000000        
S   1
  1      0.14171047424E-01            1.0000000        
P   4
  1      5.6720643194           0.48114224135E-01      
  2      3.3320183956          -0.18485131426    
  3      0.80150054910          0.42811864954    
  4      0.36302220227          0.58673165411    
P   1
  1      0.15733924392          1.0000000        
P   1
  1      0.40000000000E-01            1.0000000        
P   1
  1      0.16000000000E-01            1.0000000        
D   1
  1      0.25907866956          1.0000000        
D   1
  1      0.42507438045E-01            1.0000000        
D   1
  1      0.11909276840E-01            1.0000000        
F   1
  1      0.8524500              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Sr
data:
STRONTIUM
S   2
  1     10.000000000           -0.18530550262    
  2      8.5000000000           0.33970355376    
S   1
  1      3.0057048856           1.0000000        
S   1
  1      0.61161287650          1.0000000        
S   1
  1      0.27393841217          1.0000000        
S   1
  1      0.57435564563E-01            1.0000000        
S   1
  1      0.23338198665E-01            1.0000000        
P   4
  1      7.5883077869           0.33731690287E-01      
  2      3.6731307392          -0.20523185005    
  3      0.90496618455          0.49209972665    
  4      0.43310256408          0.62105296512    
P   1
  1      0.20222168964          1.0000000        
P   1
  1      0.72000000000E-01            1.0000000        
P   1
  1      0.25000000000E-01            1.0000000        
D   3
  1      3.6180810000          -0.75010000000E-02      
  2      0.99665600000          0.10809800000    
  3      0.39073500000          0.27854000000    
D   1
  1      0.12277000000          1.0000000        
D   1
  1      0.36655000000E-01            1.0000000        
F   1
  1      0.9954000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Y
data:
YTTRIUM
S   2
  1     10.000000000           -0.17487686796    
  2      8.5000000000           0.34152345084    
S   1
  1      3.3653905454           1.0000000        
S   1
  1      0.68860679385          1.0000000        
S   1
  1      0.31191502936          1.0000000        
S   1
  1      0.70326042567E-01            1.0000000        
S   1
  1      0.27733859327E-01            1.0000000        
P   4
  1      8.0554093616           0.36410978939E-01      
  2      4.0163458751          -0.20872572547    
  3      1.0232915404           0.48956929335    
  4      0.49843561636          0.60611943833    
P   1
  1      0.23307661842          1.0000000        
P   1
  1      0.80000000000E-01            1.0000000        
P   1
  1      0.27000000000E-01            1.0000000        
D   3
  1      3.9030833060          -0.98209792625E-02      
  2      1.1363234302           0.19183629664    
  3      0.45617043877          0.40597788539    
D   1
  1      0.17470950748          1.0000000        
D   1
  1      0.61978796638E-01            1.0000000        
F   1
  1      0.3861100              1.0000000        
F   1
  1      0.1076600              1.0000000        
G   1
  1      0.1114900              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Zr
data:
ZIRCONIUM
S   2
  1     11.000000000           -0.19075595257    
  2      9.5000000000           0.33895588754    
S   1
  1      3.6383667759           1.0000000        
S   1
  1      0.76822026698          1.0000000        
S   1
  1      0.34036824036          1.0000000        
S   1
  1      0.75261298085E-01            1.0000000        
S   1
  1      0.30131404705E-01            1.0000000        
P   4
  1      8.6066305543           0.40404260236E-01      
  2      4.4400979958          -0.21187745201    
  3      1.1281026946           0.49164266891    
  4      0.54346076310          0.57303370658    
P   1
  1      0.25022406048          1.0000000        
P   1
  1      0.85000000000E-01            1.0000000        
P   1
  1      0.29000000000E-01            1.0000000        
D   3
  1      4.5567957795          -0.96190569023E-02      
  2      1.2904939797           0.20569990155    
  3      0.51646987222          0.41831381851    
D   1
  1      0.19349797794          1.0000000        
D   1
  1      0.67309809967E-01            1.0000000        
F   1
  1      0.6532200              1.0000000        
F   1
  1      0.1829300              1.0000000        
G   1
  1      0.2898900              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Nb
data:
NIOBIUM
S   2
  1     12.000000000           -0.20219507530    
  2     10.500000000            0.33640105939    
S   1
  1      3.9276062854           1.0000000        
S   1
  1      0.85976543258          1.0000000        
S   1
  1      0.39074087505          1.0000000        
S   1
  1      0.86387259879E-01            1.0000000        
S   1
  1      0.32906200326E-01            1.0000000        
P   4
  1      9.2056285646           0.43347689874E-01      
  2      4.8679632125          -0.21302479233    
  3      1.2442155792           0.48102127136    
  4      0.60390590312          0.53917858960    
P   1
  1      0.27967675553          1.0000000        
P   1
  1      0.90000000000E-01            1.0000000        
P   1
  1      0.30000000000E-01            1.0000000        
D   3
  1      4.6170975867          -0.13574476955E-01      
  2      1.5663438480           0.20374310496    
  3      0.66952425826          0.42997453105    
D   1
  1      0.27140946867          1.0000000        
D   1
  1      0.10054426592          1.0000000        
F   1
  1      0.9180100              1.0000000        
F   1
  1      0.2582000              1.0000000        
G   1
  1      0.4682900              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Mo
data:
MOLYBDENUM
S   2
  1     14.000000000           -0.22490043406    
  2     12.500000000            0.33151248555    
S   1
  1      4.0921501803           1.0000000        
S   1
  1      0.97053602586          1.0000000        
S   1
  1      0.44217620170          1.0000000        
S   1
  1      0.92915024334E-01            1.0000000        
S   1
  1      0.35016314389E-01            1.0000000        
P   4
  1      8.8931117915           0.69994449475E-01      
  2      5.4689112270          -0.23547141883    
  3      1.3548473007           0.46315460007    
  4      0.65494867461          0.48820184710    
P   1
  1      0.30428197472          1.0000000        
P   1
  1      0.10000000000          1.0000000        
P   1
  1      0.33000000000E-01            1.0000000        
D   3
  1      5.0044445497          -0.21587364862E-01      
  2      1.7736823324           0.20958680086    
  3      0.76950591696          0.43730880599    
D   1
  1      0.31530878939          1.0000000        
D   1
  1      0.11754374390          1.0000000        
F   1
  1      1.1805100              1.0000000        
F   1
  1      0.3334800              1.0000000        
G   1
  1      0.6467000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Tc
data:
TECHNETIUM
S   2
  1     15.000000000           -0.19945408941    
  2     12.910581694            0.33689922245    
S   1
  1      4.4493321158           1.0000000        
S   1
  1      1.0548409451           1.0000000        
S   1
  1      0.47909677246          1.0000000        
S   1
  1      0.99124162989E-01            1.0000000        
S   1
  1      0.36882799789E-01            1.0000000        
P   4
  1     10.027138011            0.61481602710E-01      
  2      5.8463419741          -0.23600729385    
  3      1.4968345491           0.47746483995    
  4      0.72934632066          0.50731543496    
P   1
  1      0.33913558879          1.0000000        
P   1
  1      0.11000000000          1.0000000        
P   1
  1      0.35000000000E-01            1.0000000        
D   3
  1      5.0906268699          -0.32176405405E-01      
  2      2.0156178510           0.21280802536    
  3      0.88113887240          0.44403309175    
D   1
  1      0.36427094833          1.0000000        
D   1
  1      0.13678402297          1.0000000        
F   1
  1      1.4406400              1.0000000        
F   1
  1      0.4087500              1.0000000        
G   1
  1      0.8251000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Ru
data:
RUTHENIUM
S   2
  1     16.000000000           -0.20634002919    
  2     13.910581694            0.33550437725    
S   1
  1      4.7967971407           1.0000000        
S   1
  1      1.1555425594           1.0000000        
S   1
  1      0.52455741182          1.0000000        
S   1
  1      0.10734572646          1.0000000        
S   1
  1      0.39432760192E-01            1.0000000        
P   4
  1     11.187208671            0.53225073263E-01      
  2      6.2477688734          -0.22731662050    
  3      1.6279472859           0.47869486056    
  4      0.79326493538          0.50213311567    
P   1
  1      0.36707276865          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   3
  1      5.7341846619          -0.35266111560E-01      
  2      2.2483686294           0.21802502222    
  3      0.98376978359          0.44709565013    
D   1
  1      0.40379445583          1.0000000        
D   1
  1      0.14978618173          1.0000000        
F   1
  1      1.7077900              1.0000000        
F   1
  1      0.4844200              1.0000000        
G   1
  1      1.0093000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Rh
data:
RHODIUM
S   2
  1     17.000000000           -0.16690803139    
  2     13.910581694            0.34235001652    
S   1
  1      5.2481265288           1.0000000        
S   1
  1      1.2262575928           1.0000000        
S   1
  1      0.53930216349          1.0000000        
S   1
  1      0.10130730377          1.0000000        
S   1
  1      0.37124139005E-01            1.0000000        
P   4
  1     11.767103631            0.59494859388E-01      
  2      6.7485133083          -0.23735853477    
  3      1.7502679834           0.49019334303    
  4      0.84321166133          0.50623933751    
P   1
  1      0.38295544759          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     19.857830136            0.66960778187E-02      
  2     10.061378139           -0.21981738213E-01      
  3      2.2619546477           0.37918706236    
  4      0.97098845035          0.67289976592    
D   1
  1      0.38391195297          1.0000000        
D   1
  1      0.13537026904          1.0000000        
F   1
  1      1.9750700              1.0000000        
F   1
  1      0.5600900              1.0000000        
G   1
  1      1.1935000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Pd
data:
PALLADIUM
S   2
  1     18.000000000           -0.16605388598    
  2     14.662134308            0.34899955055    
S   1
  1      5.6388709265           1.0000000        
S   1
  1      1.3198953252           1.0000000        
S   1
  1      0.57817908509          1.0000000        
S   1
  1      0.10352166239          1.0000000        
S   1
  1      0.37548442674E-01            1.0000000        
P   4
  1     12.552899300            0.61728998206E-01      
  2      7.2444496380          -0.24178626753    
  3      1.8905941078           0.49453200915    
  4      0.90737168760          0.50454362626    
P   1
  1      0.40877210813          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     22.357457575            0.39559479546E-02      
  2     10.682526382           -0.14039011601E-01      
  3      2.4858232550           0.24219476776    
  4      1.0735333903           0.42580283281    
D   1
  1      0.42613842853          1.0000000        
D   1
  1      0.15046355385          1.0000000        
F   1
  1      2.2424600              1.0000000        
F   1
  1      0.6357500              1.0000000        
G   1
  1      1.3777000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Ag
data:
SILVER
S   2
  1     19.000000000           -0.16600104141    
  2     15.428199933            0.35665095918    
S   1
  1      6.0553507268           1.0000000        
S   1
  1      1.4162368935           1.0000000        
S   1
  1      0.61758635858          1.0000000        
S   1
  1      0.10474197431          1.0000000        
S   1
  1      0.37685106264E-01            1.0000000        
P   4
  1     13.188180180            0.66928737147E-01      
  2      7.7952789138          -0.24735235409    
  3      2.0351571912           0.49154280216    
  4      0.98093914842          0.49741609006    
P   1
  1      0.44451179958          1.0000000        
P   1
  1      0.13000000000          1.0000000        
P   1
  1      0.41200000000E-01            1.0000000        
D   4
  1     25.784397351            0.35645063082E-02      
  2     11.396636755           -0.12984262784E-01      
  3      2.7345581361           0.24108826548    
  4      1.1873583605           0.42412330744    
D   1
  1      0.47316910566          1.0000000        
D   1
  1      0.16746017986          1.0000000        
F   1
  1      2.5100300              1.0000000        
F   1
  1      0.7114200              1.0000000        
G   1
  1      1.5619000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Cd
data:
CADMIUM
S   2
  1     20.000000000           -0.17401196927    
  2     16.309051661            0.37137277194    
S   1
  1      6.4512709901           1.0000000        
S   1
  1      1.5350047390           1.0000000        
S   1
  1      0.68983631523          1.0000000        
S   1
  1      0.13475720977          1.0000000        
S   1
  1      0.47416874527E-01            1.0000000        
P   4
  1     14.000681404            0.69333062793E-01      
  2      8.3094019872          -0.25420103681    
  3      2.2020058122           0.49200980368    
  4      1.0779246137           0.49702118131    
P   1
  1      0.50111879846          1.0000000        
P   1
  1      0.16000000000          1.0000000        
P   1
  1      0.51600000000E-01            1.0000000        
D   4
  1     30.380789793            0.32545123835E-02      
  2     11.474551578           -0.14212074843E-01      
  3      3.0507394903           0.24961756436    
  4      1.3622028524           0.44905635176    
D   1
  1      0.56399409888          1.0000000        
D   1
  1      0.20916686535          1.0000000        
F   1
  1      2.8400100              1.0000000        
F   1
  1      0.8204800              1.0000000        
G   1
  1      1.7896000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Cs
data:
CESIUM
S   3
  1      5.8778113443           0.12859994983    
  2      4.3631538286          -0.34632569725    
  3      1.8048475155           0.69930637051    
S   1
  1      0.37485237136          1.0000000        
S   1
  1      0.16384858778          1.0000000        
S   1
  1      0.27230462048E-01            1.0000000        
S   1
  1      0.11991533212E-01            1.0000000        
P   4
  1      4.2751856154           0.45723074174E-01      
  2      1.9656663360          -0.25019961976    
  3      0.47689195212          0.55660850066    
  4      0.21529749588          0.58218553406    
P   1
  1      0.91450850296E-01            1.0000000        
P   1
  1      0.17592078473E-01            1.0000000        
D   1
  1      0.27941471548          1.0000000        
D   1
  1      0.62419809739E-01            1.0000000        
D   1
  1      0.15987870156E-01            1.0000000        
F   1
  1      0.5877700              1.0000000        


name: Def2-TZVPP
description: N/A
elt: La
data:
LANTHANUM
S   2
  1      5.0873990000          -0.44174952534    
  2      4.2709780000           0.85812466843    
S   1
  1      2.1823656045           1.0000000        
S   1
  1      0.48966533785          1.0000000        
S   1
  1      0.23301675348          1.0000000        
S   1
  1      0.55719523051E-01            1.0000000        
S   1
  1      0.22854708808E-01            1.0000000        
P   4
  1      6.0000000000          -0.11397960924E-01      
  2      3.6808191615           0.14675038550    
  3      2.3265462081          -0.35581819167    
  4      0.64342629633          0.45834955229    
P   1
  1      0.33584281962          1.0000000        
P   1
  1      0.16519051916          1.0000000        
P   1
  1      0.354E-01              1.0000000        
D   3
  1      1.2675288018          -0.17569274035    
  2      0.89395340284          0.25139922933    
  3      0.33095767339          0.44603267053    
D   1
  1      0.13461377501          1.0000000        
D   1
  1      0.51441629839E-01            1.0000000        
F   1
  1      0.3894100              1.0000000        
F   1
  1      0.1204300              1.0000000        
G   1
  1      0.1790700              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Hf
data:
HAFNIUM
S   4
  1     24.000000000            0.19369448644    
  2     16.000000000           -3.5064630782     
  3     14.400000000            4.3082581000     
  4     10.304504667           -0.91045809742    
S   1
  1      3.8426510824           1.0000000        
S   1
  1      0.93296029049          1.0000000        
S   1
  1      0.42615320942          1.0000000        
S   1
  1      0.93366560195E-01            1.0000000        
S   1
  1      0.35532895141E-01            1.0000000        
P   4
  1     17.000000000           -0.30316491880E-01      
  2     11.738072097            0.10139279686    
  3      4.9203967161          -0.28227924657    
  4      1.1251726138           0.52032008501    
P   1
  1      0.54220114055          1.0000000        
P   1
  1      0.25659447877          1.0000000        
P   1
  1      0.06500000000          1.0000000        
D   3
  1      3.9820623229          -0.42446023944E-01      
  2      1.3077987772           0.18409232564    
  3      0.53272310298          0.41484423516    
D   1
  1      0.20564954488          1.0000000        
D   1
  1      0.73099858787E-01            1.0000000        
F   1
  1      0.5310400              1.0000000        
F   1
  1      0.1653700              1.0000000        
G   1
  1      0.2903600              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Ta
data:
TANTALUM
S   4
  1     24.473650944            0.20590322488    
  2     18.721372549           -0.74670795514    
  3     11.500000000            3.4071363897     
  4     10.350000000           -2.8175487609     
S   1
  1      3.8436180089           1.0000000        
S   1
  1      1.0202266016           1.0000000        
S   1
  1      0.46774781869          1.0000000        
S   1
  1      0.10323186670          1.0000000        
S   1
  1      0.38674461203E-01            1.0000000        
P   4
  1     17.000000000           -0.32577305616E-01      
  2     12.008186536            0.10336287365    
  3      5.0278760583          -0.28526521696    
  4      1.1937124184           0.51790141155    
P   1
  1      0.57889707053          1.0000000        
P   1
  1      0.27225198801          1.0000000        
P   1
  1      0.06500000000          1.0000000        
D   3
  1      3.9738796278          -0.52799310714E-01      
  2      1.4528884813           0.18558319471    
  3      0.61042908544          0.42959071631    
D   1
  1      0.24216276510          1.0000000        
D   1
  1      0.87909318337E-01            1.0000000        
F   1
  1      0.6706600              1.0000000        
F   1
  1      0.2103100              1.0000000        
G   1
  1      0.4016500              1.0000000        


name: Def2-TZVPP
description: N/A
elt: W
data:
TUNGSTEN
S   3
  1     30.000000000            0.32246483410    
  2     27.000000000           -0.46692257214    
  3     13.078045684            0.42699563776    
S   1
  1      4.8100449717           1.0000000        
S   1
  1      0.98497804263          1.0000000        
S   1
  1      0.44910485344          1.0000000        
S   1
  1      0.11448352920          1.0000000        
S   1
  1      0.41720421956E-01            1.0000000        
P   4
  1     17.000000000           -0.37817768433E-01      
  2     12.431973432            0.10905673845    
  3      5.1586217658          -0.29399955020    
  4      1.2801454812           0.51560726697    
P   1
  1      0.62856790898          1.0000000        
P   1
  1      0.29380423553          1.0000000        
P   1
  1      0.06500000000          1.0000000        
D   4
  1      7.4064737315           0.86993963018E-01      
  2      5.9026268603          -0.17667540011    
  3      1.2984756750           0.55145697030    
  4      0.57153508541          0.95313596535    
D   1
  1      0.23845526606          1.0000000        
D   1
  1      0.91144267331E-01            1.0000000        
F   1
  1      0.8082400              1.0000000        
F   1
  1      0.2552400              1.0000000        
G   1
  1      0.5129300              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Re
data:
RHENIUM
S   3
  1     30.000000000            0.31780717811    
  2     27.000000000           -0.46492321332    
  3     13.078045684            0.45723641305    
S   1
  1      5.0352712861           1.0000000        
S   1
  1      1.0482706438           1.0000000        
S   1
  1      0.47708773413          1.0000000        
S   1
  1      0.12225857255          1.0000000        
S   1
  1      0.44007400609E-01            1.0000000        
P   4
  1     18.000000000           -0.26890962397E-01      
  2     12.318606250            0.99711498502E-01      
  3      5.3719234505          -0.29289398145    
  4      1.3506646748           0.51466301434    
P   1
  1      0.66212816808          1.0000000        
P   1
  1      0.31071385193          1.0000000        
P   1
  1      0.07000000000          1.0000000        
D   4
  1      7.7352877672           0.83901798556E-01      
  2      6.0949443610          -0.17722258734    
  3      1.3871105497           0.55238259692    
  4      0.62324027854          0.91980111239    
D   1
  1      0.26517328547          1.0000000        
D   1
  1      0.10321096849          1.0000000        
F   1
  1      0.9438600              1.0000000        
F   1
  1      0.3001800              1.0000000        
G   1
  1      0.6242200              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Os
data:
OSMIUM
S   3
  1     30.000000000            0.32213004804    
  2     27.000000000           -0.47922918137    
  3     13.524730005            0.47465946837    
S   1
  1      5.2402883472           1.0000000        
S   1
  1      1.1306661245           1.0000000        
S   1
  1      0.51689966917          1.0000000        
S   1
  1      0.13222953545          1.0000000        
S   1
  1      0.47220318801E-01            1.0000000        
P   4
  1     15.500000000            0.16016463376    
  2     14.000000000           -0.23201520402    
  3      5.5458290420           0.29772587274    
  4      1.4139502215          -0.54253238176    
P   1
  1      0.68136686765          1.0000000        
P   1
  1      0.30911452647          1.0000000        
P   1
  1      0.52000000000E-01            1.0000000        
D   4
  1      8.2945059487           0.69648222110E-01      
  2      6.3060397430          -0.16444229630    
  3      1.4890109110           0.55154541033    
  4      0.67315390607          0.88461370291    
D   1
  1      0.28590805222          1.0000000        
D   1
  1      0.11058012051          1.0000000        
F   1
  1      1.0672900              1.0000000        
F   1
  1      0.3422200              1.0000000        
G   1
  1      0.7548900              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Ir
data:
IRIDIUM
S   3
  1     30.000000000            0.30797903228    
  2     27.000000000           -0.46726361781    
  3     13.961973911            0.47161003146    
S   1
  1      5.3956977802           1.0000000        
S   1
  1      1.2149128721           1.0000000        
S   1
  1      0.55885743756          1.0000000        
S   1
  1      0.14097974313          1.0000000        
S   1
  1      0.50021924989E-01            1.0000000        
P   4
  1     15.902664143           -0.16290720099    
  2     14.415830698            0.23483212987    
  3      5.7597608991          -0.30305337176    
  4      1.5008913108           0.55512982069    
P   1
  1      0.72348035957          1.0000000        
P   1
  1      0.32785980328          1.0000000        
P   1
  1      0.56000000000E-01            1.0000000        
D   4
  1      8.6321692504           0.75000099949E-01      
  2      6.5898192302          -0.17326965173    
  3      1.5808379663           0.55065196913    
  4      0.71827834905          0.85273641436    
D   1
  1      0.30571851998          1.0000000        
D   1
  1      0.11827071879          1.0000000        
F   1
  1      1.1885700              1.0000000        
F   1
  1      0.3842600              1.0000000        
G   1
  1      0.8855600              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Pt
data:
PLATINUM
S   3
  1     30.000000000            0.27148263900    
  2     27.000000000           -0.42226758774    
  3     14.408318564            0.44361581995    
S   1
  1      5.5335788010           1.0000000        
S   1
  1      1.2986438223           1.0000000        
S   1
  1      0.58759393108          1.0000000        
S   1
  1      0.13845587261          1.0000000        
S   1
  1      0.49204459888E-01            1.0000000        
P   4
  1     15.500000000           -0.15672718629    
  2     14.000000000            0.23853412989    
  3      6.1161212339          -0.31041379733    
  4      1.5715586385           0.56473525089    
P   1
  1      0.75132510781          1.0000000        
P   1
  1      0.33306466812          1.0000000        
P   1
  1      0.57000000000E-01            1.0000000        
D   4
  1      8.3207937611           0.62945798646E-01      
  2      7.4207226520          -0.90271847072E-01      
  3      1.6570410639           0.16812526416    
  4      0.73943569960          0.25045416970    
D   1
  1      0.30510856008          1.0000000        
D   1
  1      0.11350405268          1.0000000        
F   1
  1      1.3077100              1.0000000        
F   1
  1      0.4263000              1.0000000        
G   1
  1      1.0162300              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Au
data:
GOLD
S   3
  1     30.000000000            0.20749231108    
  2     27.000000000           -0.33267893394    
  3     14.746824331            0.38302817958    
S   1
  1      5.6017248938           1.0000000        
S   1
  1      1.3874162443           1.0000000        
S   1
  1      0.62923031957          1.0000000        
S   1
  1      0.14027517613          1.0000000        
S   1
  1      0.49379413761E-01            1.0000000        
P   4
  1     15.500000000            0.15001711880    
  2     14.000000000           -0.23609813183    
  3      6.4227368205           0.31458896948    
  4      1.6595601681          -0.57279670446    
P   1
  1      0.79402913993          1.0000000        
P   1
  1      0.35125155397          1.0000000        
P   1
  1      0.45000000000E-01            1.0000000        
D   4
  1      9.5524098656           0.40145559502E-01      
  2      7.2698886937          -0.93690906606E-01      
  3      1.7746496789           0.31746282317    
  4      0.79960541055          0.46795192483    
D   1
  1      0.33252279372          1.0000000        
D   1
  1      0.12445133105          1.0000000        
F   1
  1      1.4246900              1.0000000        
F   1
  1      0.4683400              1.0000000        
G   1
  1      1.1469000              1.0000000        


name: Def2-TZVPP
description: N/A
elt: Hg
data:
MERCURY
S   3
  1     48.013786990            0.58008164912E-02      
  2     21.239875095           -0.17328165235    
  3     15.876100879            0.36416685034    
S   1
  1      5.5180531820           1.0000000        
S   1
  1      1.5099145479           1.0000000        
S   1
  1      0.70683482159          1.0000000        
S   1
  1      0.16266265576          1.0000000        
S   1
  1      0.56960589112E-01            1.0000000        
P   4
  1     17.500000000           -0.86457187331E-01      
  2     15.252594855            0.15327318234    
  3      6.4404715169          -0.30274955249    
  4      1.8180159920           0.54361285026    
P   1
  1      0.90067981801          1.0000000        
P   1
  1      0.41304540122          1.0000000        
P   1
  1      0.11845702655          1.0000000        
P   1
  1      0.36087619349E-01            1.0000000        
D   4
  1     10.028197701            0.39922353165E-01      
  2      7.5920661493          -0.94774230522E-01      
  3      1.9144256118           0.31164157463    
  4      0.88641552102          0.45567078406    
D   1
  1      0.38154235320          1.0000000        
D   1
  1      0.14880740086          1.0000000        
F   1
  1      1.5521700              1.0000000        
F   1
  1      0.5243100              1.0000000        
G   1
  1      1.2895000              1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: H
data:
HYDROGEN
S   3
  1     34.061341000            0.60251978000E-02      
  2      5.1235746000           0.45021094000E-01      
  3      1.1646626000           0.20189726000    
S   1
  1      0.32723041000          1.0000000        
S   1
  1      0.10307241000          1.0000000        
P   1
  1      1.4070000000           1.0000000        
P   1
  1      0.38800000000          1.0000000        
P   1
  1      0.95774129632E-01            1.0000000        
D   1
  1      1.0570000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: He
data:
HELIUM
S   3
  1     98.078321616            0.75803064967E-02      
  2     14.764404247            0.54848620937E-01      
  3      3.3185831473           0.22074382186    
S   1
  1      0.87413869551          1.0000000        
S   1
  1      0.24459897208          1.0000000        
P   1
  1      3.0440000000           1.0000000        
P   1
  1      0.75800000000          1.0000000        
P   1
  1      0.19404104917          1.0000000        
D   1
  1      1.9650000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Li
data:
LITHIUM
S   6
  1   6269.2628010              0.20540968826E-03      
  2    940.31612431             0.15916554089E-02      
  3    214.22107528             0.82869829707E-02      
  4     60.759840184            0.33856374249E-01      
  5     19.915152032            0.11103225876    
  6      7.3171509797           0.27449383329    
S   2
  1      2.9724674216           0.23792456411    
  2      1.2639852314           0.30765411924    
S   1
  1      0.51427489953          1.0000000        
S   1
  1      0.77030885901E-01            1.0000000        
S   1
  1      0.28938896433E-01            1.0000000        
P   1
  1      0.40000000000          1.0000000        
P   1
  1      0.60000000000E-01            1.0000000        
P   1
  1      3.3270000000           1.0000000        
P   1
  1      0.20097234766E-01            1.0000000        
D   1
  1      0.13190000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Al
data:
ALUMINUM
S   7
  1  37792.5507720              0.57047888709E-03      
  2   5668.0682165              0.44093016538E-02      
  3   1289.8582841              0.22630967411E-01      
  4    364.86596028             0.88025644295E-01      
  5    118.57631515             0.25223701612    
  6     42.024867605            0.45960547169    
  7     15.499501629            0.33277886014    
S   3
  1     75.208026598            0.19250560190E-01      
  2     23.031408972            0.87906743952E-01      
  3      3.6348797649          -0.34246704535    
S   2
  1      1.6065049957           1.5106266058     
  2      0.76103394581          0.58071016470    
S   1
  1      0.16556708849          1.0000000        
S   1
  1      0.60041577113E-01            1.0000000        
S   1
  1      0.28536651434E-01            1.0000000        
P   5
  1    452.52303192             0.23110812466E-02      
  2    107.08195049             0.18568641823E-01      
  3     34.131021255            0.87216237035E-01      
  4     12.587037428            0.26902101523    
  5      4.9811919704           0.52128324272    
P   1
  1      2.0070350900           1.0000000        
P   1
  1      0.80083714374          1.0000000        
P   1
  1      0.20178927472          1.0000000        
P   1
  1      0.57895550392E-01            1.0000000        
D   1
  1      1.5700000000           1.0000000        
D   1
  1      0.33300000000          1.0000000        
D   1
  1      0.11100000000          1.0000000        
D   1
  1      0.41068707243E-01            1.0000000        
F   1
  1      0.24400000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Si
data:
SILICON
S   7
  1  44773.3580780              0.55914765868E-03      
  2   6717.1992104              0.43206040189E-02      
  3   1528.8960325              0.22187096460E-01      
  4    432.54746585             0.86489249116E-01      
  5    140.61505226             0.24939889716    
  6     49.857636724            0.46017197366    
  7     18.434974885            0.34250236575    
S   3
  1     86.533886111            0.21300063007E-01      
  2     26.624606846            0.94676139318E-01      
  3      4.4953057159          -0.32616264859    
S   2
  1      2.1035045710           1.3980803850     
  2      1.0106094922           0.63865786699    
S   1
  1      0.23701751489          1.0000000        
S   1
  1      0.85703405362E-01            1.0000000        
S   1
  1      0.37000771280E-01            1.0000000        
P   5
  1    394.47503628             0.26285693959E-02      
  2     93.137683104            0.20556257749E-01      
  3     29.519608742            0.92070262801E-01      
  4     10.781663791            0.25565889739    
  5      4.1626574778           0.42111707185    
P   1
  1      1.6247972989           1.0000000        
P   1
  1      0.54306660493          1.0000000        
P   1
  1      0.20582073956          1.0000000        
P   1
  1      0.70053487306E-01            1.0000000        
D   1
  1      2.3030000000           1.0000000        
D   1
  1      0.47600000000          1.0000000        
D   1
  1      0.16000000000          1.0000000        
D   1
  1      0.55036090333E-01            1.0000000        
F   1
  1      0.33600000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: P
data:
PHOSPHOROUS
S   7
  1  52426.9992330              0.55207164100E-03      
  2   7863.2660552              0.42678595308E-02      
  3   1789.5227333              0.21931529186E-01      
  4    506.27300165             0.85667168373E-01      
  5    164.60698546             0.24840686605    
  6     58.391918722            0.46336753971    
  7     21.643663201            0.35350558156    
S   3
  1     99.013837620            0.21895679958E-01      
  2     30.550439817            0.95650470295E-01      
  3      5.4537087661          -0.29454270186    
S   2
  1      2.6503362563           1.3294381200     
  2      1.2726688867           0.66109396473    
S   1
  1      0.31645005203          1.0000000        
S   1
  1      0.11417466938          1.0000000        
S   1
  1      0.48831315225E-01            1.0000000        
P   5
  1    472.27219248             0.25710623052E-02      
  2    111.58882756             0.20250297999E-01      
  3     35.445936418            0.91580716787E-01      
  4     12.990776875            0.25749454014    
  5      5.0486221658           0.42862899758    
P   1
  1      1.9934049566           1.0000000        
P   1
  1      0.66527284430          1.0000000        
P   1
  1      0.25516832128          1.0000000        
P   1
  1      0.90357762251E-01            1.0000000        
D   1
  1      3.1200000000           1.0000000        
D   1
  1      0.64800000000          1.0000000        
D   1
  1      0.21800000000          1.0000000        
D   1
  1      0.73569545334E-01            1.0000000        
F   1
  1      0.45200000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: S
data:
SULFUR
S   7
  1  60700.9281040              0.54695944225E-03      
  2   9102.6106854              0.42297224557E-02      
  3   2071.4166009              0.21747824159E-01      
  4    586.02476821             0.85100053589E-01      
  5    190.55395021             0.24799128459    
  6     67.630384260            0.46703640406    
  7     25.127306905            0.36434587550    
S   3
  1    112.57463010             0.21670040240E-01      
  2     34.795554217            0.93602301760E-01      
  3      6.5115556215          -0.26068001422    
S   2
  1      3.2399032261           1.2842089435     
  2      1.5477160881           0.66036416584    
S   1
  1      0.40541030112          1.0000000        
S   1
  1      0.14550651059          1.0000000        
S   1
  1      0.50178839540E-01            1.0000000        
P   5
  1    564.36716027             0.24796796317E-02      
  2    133.42624379             0.19677930250E-01      
  3     42.468271189            0.89980008258E-01      
  4     15.616527580            0.25705880575    
  5      6.1093988469           0.43515167292    
P   1
  1      2.4404160198           1.0000000        
P   1
  1      0.83882201296          1.0000000        
P   1
  1      0.31288746900          1.0000000        
P   1
  1      0.10770109004          1.0000000        
P   1
  1      0.30359833649E-01            1.0000000        
D   1
  1      3.7560000000           1.0000000        
D   1
  1      0.81200000000          1.0000000        
D   1
  1      0.27300000000          1.0000000        
D   1
  1      0.81547024970E-01            1.0000000        
F   1
  1      0.55700000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Cl
data:
CHLORINE
S   7
  1  69507.9909450              0.54314897497E-03      
  2  10426.1568800              0.41990463961E-02      
  3   2373.2334061              0.21592141679E-01      
  4    671.56420071             0.84598850094E-01      
  5    218.41999790             0.24757249724    
  6     77.572249714            0.47016930228    
  7     28.888815277            0.37436370716    
S   3
  1    127.10527185             0.25182166603E-01      
  2     39.339582961            0.10786112456    
  3      7.6740679989          -0.27408821574    
S   2
  1      3.8745627630           1.3213875014     
  2      1.8385832573           0.68636955368    
S   1
  1      0.50229057542          1.0000000        
S   1
  1      0.17962723420          1.0000000        
S   1
  1      0.61133095854E-01            1.0000000        
P   5
  1    666.50423284             0.23632663836E-02      
  2    157.64241690             0.18879300374E-01      
  3     50.262520978            0.87206341273E-01      
  4     18.536078105            0.25285612970    
  5      7.2940532777           0.43507154820    
P   1
  1      2.9433248995           1.0000000        
P   1
  1      1.0404970818           1.0000000        
P   1
  1      0.38456415080          1.0000000        
P   1
  1      0.13069642732          1.0000000        
P   1
  1      0.35381580722E-01            1.0000000        
D   1
  1      4.6100000000           1.0000000        
D   1
  1      1.0110000000           1.0000000        
D   1
  1      0.33900000000          1.0000000        
D   1
  1      0.99601358790E-01            1.0000000        
F   1
  1      0.70600000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Ar
data:
ARGON
S   7
  1  79111.4229980              0.51029325002E-03      
  2  11864.7460090              0.39463036981E-02      
  3   2700.1642973              0.20307073910E-01      
  4    763.95943485             0.79691825214E-01      
  5    248.45150561             0.23420623836    
  6     88.283581000            0.44833849481    
  7     32.948607069            0.36408167400    
S   3
  1    142.55358000             0.26387407001E-01      
  2     44.163688009            0.11226433999    
  3      8.9524995000          -0.26178922001    
S   2
  1      4.5546920941           1.3002484998     
  2      2.1444079001           0.67197237009    
S   1
  1      0.60708777004          1.0000000        
S   1
  1      0.21651431999          1.0000000        
S   1
  1      0.73732186754E-01            1.0000000        
P   5
  1    776.77541998             0.22028005003E-02      
  2    183.80107018             0.17694180008E-01      
  3     58.694003175            0.82431293717E-01      
  4     21.701591695            0.24207278863    
  5      8.5821489635           0.42263558251    
P   1
  1      3.4922679161           1.0000000        
P   1
  1      1.2637426998           1.0000000        
P   1
  1      0.46607870005          1.0000000        
P   1
  1      0.15766003000          1.0000000        
P   1
  1      0.41779128551E-01            1.0000000        
D   1
  1      5.5510000000           1.0000000        
D   1
  1      1.2350000000           1.0000000        
D   1
  1      0.41200000000          1.0000000        
D   1
  1      0.12039311859          1.0000000        
F   1
  1      0.89000000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Sc
data:
SCANDIUM
S   8
  1 191612.9187400              0.23076475942E-03      
  2  28723.8503630              0.17890329946E-02      
  3   6537.0116490              0.92990401140E-02      
  4   1850.3097171              0.37739438011E-01      
  5    602.38855156             0.12227148359    
  6    216.17324766             0.28814821470    
  7     83.712517880            0.40517543099    
  8     32.908707189            0.20566019623    
S   4
  1    211.34393234            -0.24527991462E-01      
  2     65.128920139           -0.11570158142    
  3     10.034311535            0.55995283317    
  4      4.1596884597           0.56087765073    
S   2
  1      6.0009041613          -0.22840494325    
  2      0.98255784150          0.71948970378    
S   1
  1      0.42483192773          1.0000000        
S   1
  1      0.77185462096E-01            1.0000000        
S   1
  1      0.30147219702E-01            1.0000000        
P   6
  1    947.34122823             0.24737208744E-02      
  2    224.09699732             0.19742967060E-01      
  3     71.560334882            0.90357147549E-01      
  4     26.444824490            0.25201602503    
  5     10.393798285            0.39675535929    
  6      4.1606304559           0.23208624517    
P   3
  1     15.565737135           -0.27129423974E-01      
  2      2.1121544865           0.55109256629    
  3      0.84184709021          1.0090635806     
P   1
  1      0.32297542652          1.0000000        
P   1
  1      0.12390000000          1.0000000        
P   1
  1      0.47530000000E-01            1.0000000        
P   1
  1      0.22452578888E-01            1.0000000        
D   4
  1     30.989390993            0.11902837431E-01      
  2      8.6905465069           0.67655856850E-01      
  3      2.9520256337           0.21332539722    
  4      1.0761910745           0.38391075578    
D   1
  1      0.38338915095          1.0000000        
D   1
  1      0.12534686113          1.0000000        
D   1
  1      0.41000000000E-01            1.0000000        
F   1
  1      0.44200000000          1.0000000        
F   1
  1      0.11000000000          1.0000000        
G   1
  1      0.24700000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Ti
data:
TITANIUM
S   8
  1 211575.6902500              0.23318151011E-03      
  2  31714.9450580              0.18079690851E-02      
  3   7217.5476543              0.93984311352E-02      
  4   2042.9394247              0.38156853618E-01      
  5    665.12896208             0.12374757197    
  6    238.74942264             0.29208551143    
  7     92.508691001            0.41226800855    
  8     36.403919209            0.21090534061    
S   4
  1    232.72624607            -0.24920140738E-01      
  2     71.791209711           -0.11746490087    
  3     11.158534615            0.56503342318    
  4      4.6548135416           0.56211101812    
S   2
  1      6.8034629174          -0.23011425503    
  2      1.1201076403           0.72103186735    
S   1
  1      0.48080118839          1.0000000        
S   1
  1      0.85157274977E-01            1.0000000        
S   1
  1      0.32657477046E-01            1.0000000        
P   6
  1   1063.1474732              0.24690839320E-02      
  2    251.56507061             0.19773345523E-01      
  3     80.408554854            0.90987976672E-01      
  4     29.768193269            0.25559900413    
  5     11.736830556            0.40489386764    
  6      4.7142375230           0.23693402558    
P   3
  1     17.796803704           -0.27878639615E-01      
  2      2.4272698680           0.55672914668    
  3      0.96823445537          1.0055447350     
P   1
  1      0.37056694165          1.0000000        
P   1
  1      0.14180000000          1.0000000        
P   1
  1      0.54270000000E-01            1.0000000        
P   1
  1      0.22796494396E-01            1.0000000        
D   4
  1     37.713384723            0.11513835092E-01      
  2     10.692931184            0.67246343996E-01      
  3      3.6728446990           0.21484207775    
  4      1.3588590303           0.38890892779    
D   1
  1      0.49213295253          1.0000000        
D   1
  1      0.16330520653          1.0000000        
D   1
  1      0.54000000000E-01            1.0000000        
F   1
  1      0.25390000000          1.0000000        
F   1
  1      1.0750000000           1.0000000        
G   1
  1      0.63400000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: V
data:
VANADIUM
S   8
  1 232340.6505800              0.23072410092E-03      
  2  34828.8411700              0.17888178962E-02      
  3   7926.5448691              0.92992490131E-02      
  4   2243.7733046              0.37761463347E-01      
  5    730.59322944             0.12255909662    
  6    262.32219631             0.28963508811    
  7    101.70403805             0.41004702955    
  8     40.064784617            0.21113610858    
S   4
  1    255.24014968            -0.24458116338E-01      
  2     78.804646961           -0.11527205366    
  3     12.340598946            0.55174749453    
  4      5.1742019219           0.54504528489    
S   2
  1      7.6513894469          -0.22967638286    
  2      1.2639759898           0.71683769077    
S   1
  1      0.53861761721          1.0000000        
S   1
  1      0.92719296124E-01            1.0000000        
S   1
  1      0.34998055176E-01            1.0000000        
P   6
  1   1184.2369151              0.24449826729E-02      
  2    280.23075192             0.19643454466E-01      
  3     89.643627137            0.90796949190E-01      
  4     33.242411253            0.25650768222    
  5     13.144514452            0.40815393750    
  6      5.2948534140           0.23860378268    
P   3
  1     20.175586851           -0.28241489023E-01      
  2      2.7605865197           0.55574635619    
  3      1.1008900902           0.99319919270    
P   1
  1      0.42013310739          1.0000000        
P   1
  1      0.16030000000          1.0000000        
P   1
  1      0.61190000000E-01            1.0000000        
P   1
  1      0.25995909929E-01            1.0000000        
D   4
  1     43.861134864            0.11487174238E-01      
  2     12.516021891            0.68247153977E-01      
  3      4.3313854957           0.21837784195    
  4      1.6138855773           0.39245212296    
D   1
  1      0.58749573961          1.0000000        
D   1
  1      0.19515723011          1.0000000        
D   1
  1      0.65000000000E-01            1.0000000        
F   1
  1      1.7080000000           1.0000000        
F   1
  1      0.39800000000          1.0000000        
G   1
  1      1.0090000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Cr
data:
CHROMIUM
S   8
  1 254477.8070400              0.23386945693E-03      
  2  38131.7970540              0.18142601800E-02      
  3   8675.2930607              0.94363925721E-02      
  4   2455.0099848              0.38343639367E-01      
  5    799.16217787             0.12459194837    
  6    286.90021489             0.29489696029    
  7    111.25413232             0.41846149607    
  8     43.864152636            0.21633763420    
S   4
  1    279.32669173            -0.23450908111E-01      
  2     86.274732376           -0.11080370027    
  3     13.555756113            0.53028965842    
  4      5.6978112751           0.51603516947    
S   2
  1      8.5636582615          -0.38109545675    
  2      1.3988296768           1.1991591436     
S   1
  1      0.57288171116          1.0000000        
S   1
  1      0.90096171317E-01            1.0000000        
S   1
  1      0.34125885135E-01            1.0000000        
P   6
  1   1306.4398864              0.24277326185E-02      
  2    309.25311441             0.19544041017E-01      
  3     98.996273963            0.90651794553E-01      
  4     36.756916451            0.25699279154    
  5     14.566657077            0.40935504891    
  6      5.8739937432           0.23729388849    
P   3
  1     22.890999695           -0.28166026613E-01      
  2      3.0855001822           0.56034120148    
  3      1.2132329118           0.98119019650    
P   1
  1      0.44931680699          1.0000000        
P   1
  1      0.16640000000          1.0000000        
P   1
  1      0.61630000000E-01            1.0000000        
P   1
  1      0.25923467275E-01            1.0000000        
D   4
  1     43.720074476            0.13622964026E-01      
  2     12.391242652            0.78935180133E-01      
  3      4.2639442006           0.23833840000    
  4      1.5525221790           0.39526851122    
D   1
  1      0.53761929485          1.0000000        
D   1
  1      0.16493173074          1.0000000        
D   1
  1      0.51000000000E-01            1.0000000        
F   1
  1      2.3410000000           1.0000000        
F   1
  1      0.54200000000          1.0000000        
G   1
  1      1.3820000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Mn
data:
MANGANESE
S   8
  1 277185.0015300              0.22838385133E-03      
  2  41550.7698900              0.17707650375E-02      
  3   9455.9700152              0.92077209994E-02      
  4   2676.5206482              0.37415971825E-01      
  5    871.46687530             0.12164861426    
  6    312.98306420             0.28824392499    
  7    121.44454051             0.41041600847    
  8     47.922598829            0.21372375145    
S   4
  1    303.66723163            -0.24589926140E-01      
  2     93.881403187           -0.11602608038    
  3     14.879421214            0.55112059677    
  4      6.2865200745           0.53707560756    
S   2
  1      9.4858591337          -0.22889262695    
  2      1.5698706158           0.71196169587    
S   1
  1      0.65903213608          1.0000000        
S   1
  1      0.10686292371          1.0000000        
S   1
  1      0.39267435433E-01            1.0000000        
P   6
  1   1444.7978182              0.23994136455E-02      
  2    342.06551197             0.19369286864E-01      
  3    109.58400891             0.90236108988E-01      
  4     40.747988173            0.25745467851    
  5     16.188626566            0.41272351958    
  6      6.5484505964           0.24087700007    
P   3
  1     25.357086437           -0.28707174058E-01      
  2      3.4830168782           0.55208100712    
  3      1.3858800906           0.97226901379    
P   1
  1      0.52555094893          1.0000000        
P   1
  1      0.19930000000          1.0000000        
P   1
  1      0.75570000000E-01            1.0000000        
P   1
  1      0.30240117841E-01            1.0000000        
D   4
  1     56.563189119            0.11543245295E-01      
  2     16.278734711            0.70299845987E-01      
  3      5.6964273914           0.22450770821    
  4      2.1411147942           0.39703065434    
D   1
  1      0.78291801938          1.0000000        
D   1
  1      0.25952311214          1.0000000        
D   1
  1      0.86000000000E-01            1.0000000        
F   1
  1      2.9750000000           1.0000000        
F   1
  1      0.72000000000          1.0000000        
G   1
  1      1.7550000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Fe
data:
IRON
S   8
  1 300784.8463700              0.22806273096E-03      
  2  45088.9705570              0.17681788761E-02      
  3  10262.5163170              0.91927083490E-02      
  4   2905.2897293              0.37355495807E-01      
  5    946.11487137             0.12151108426    
  6    339.87832894             0.28818881468    
  7    131.94425588             0.41126612677    
  8     52.111494077            0.21518583573    
S   4
  1    329.48839267            -0.24745216477E-01      
  2    101.92332739            -0.11683089050    
  3     16.240462745            0.55293621136    
  4      6.8840675801           0.53601640182    
S   2
  1     10.470693782           -0.22912708577    
  2      1.7360039648           0.71159319984    
S   1
  1      0.72577288979          1.0000000        
S   1
  1      0.11595528203          1.0000000        
S   1
  1      0.41968227746E-01            1.0000000        
P   6
  1   1585.3959970              0.23793960179E-02      
  2    375.38006499             0.19253154755E-01      
  3    120.31816501             0.90021836536E-01      
  4     44.788749031            0.25798172356    
  5     17.829278584            0.41492649744    
  6      7.2247153786           0.24207474784    
P   3
  1     28.143219756           -0.29041755152E-01      
  2      3.8743241412           0.55312260343    
  3      1.5410752281           0.96771136842    
P   1
  1      0.58285615250          1.0000000        
P   1
  1      0.22040000000          1.0000000        
P   1
  1      0.83380000000E-01            1.0000000        
P   1
  1      0.32659193959E-01            1.0000000        
D   4
  1     61.996675034            0.11971972255E-01      
  2     17.873732552            0.73210135410E-01      
  3      6.2744782934           0.23103094314    
  4      2.3552337175           0.39910706494    
D   1
  1      0.85432239901          1.0000000        
D   1
  1      0.27869254413          1.0000000        
D   1
  1      0.91000000000E-01            1.0000000        
F   1
  1      3.4650000000           1.0000000        
F   1
  1      0.84300000000          1.0000000        
G   1
  1      2.1280000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Co
data:
COBALT
S   8
  1 325817.0155300              0.22568462484E-03      
  2  48839.6364530              0.17499397533E-02      
  3  11114.9373070              0.91003134097E-02      
  4   3146.1603642              0.36996256837E-01      
  5   1024.4378465              0.12044269621    
  6    368.02508816             0.28598731649    
  7    142.91229205             0.40908312004    
  8     56.482649209            0.21500145739    
S   4
  1    356.40298318            -0.24767059678E-01      
  2    110.31165215            -0.11702139134    
  3     17.659634834            0.55215522200    
  4      7.5059030479           0.53246877060    
S   2
  1     11.501807176           -0.22942470077    
  2      1.9081994606           0.71180933514    
S   1
  1      0.79396696891          1.0000000        
S   1
  1      0.12444448829          1.0000000        
S   1
  1      0.44444645379E-01            1.0000000        
P   6
  1   1731.1369144              0.23905767685E-02      
  2    409.91750438             0.19382999967E-01      
  3    131.45648578             0.90905448509E-01      
  4     48.987439714            0.26146681577    
  5     19.537078992            0.42157264570    
  6      7.9287281634           0.24571813557    
P   3
  1     31.076017584           -0.29438069973E-01      
  2      4.2835180697           0.55615568168    
  3      1.7022921563           0.96772195064    
P   1
  1      0.64202908602          1.0000000        
P   1
  1      0.24210000000          1.0000000        
P   1
  1      0.91320000000E-01            1.0000000        
P   1
  1      0.34811056587E-01            1.0000000        
D   4
  1     68.140745239            0.11983845360E-01      
  2     19.685241019            0.73688540475E-01      
  3      6.9322128825           0.23085496779    
  4      2.6025125694           0.39281059225    
D   1
  1      0.94016837302          1.0000000        
D   1
  1      0.30381457794          1.0000000        
D   1
  1      0.98000000000E-01            1.0000000        
F   1
  1      3.9550000000           1.0000000        
F   1
  1      0.96500000000          1.0000000        
G   1
  1      2.5000000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Ni
data:
NICKEL
S   8
  1 351535.7293500              0.22529386884E-03      
  2  52695.8092830              0.17468616223E-02      
  3  11992.4682930              0.90849992136E-02      
  4   3394.5776689              0.36940748447E-01      
  5   1105.3594585              0.12032819950    
  6    397.14677769             0.28596715057    
  7    154.27542974             0.40983020196    
  8     61.018723780            0.21620642851    
S   4
  1    384.45559739            -0.24651279268E-01      
  2    119.04879199            -0.11658505277    
  3     19.137012223            0.54864126676    
  4      8.1526718562           0.52640051122    
S   2
  1     12.579408642           -0.22797884293    
  2      2.0870866081           0.70703738215    
S   1
  1      0.86432568555          1.0000000        
S   1
  1      0.13283169217          1.0000000        
S   1
  1      0.46845327726E-01            1.0000000        
P   6
  1   1883.0907486              0.23748258443E-02      
  2    445.95155320             0.19289457172E-01      
  3    143.08430815             0.90718211507E-01      
  4     53.372920722            0.26181414117    
  5     21.321919357            0.42309149832    
  6      8.6643561994           0.24641686015    
P   3
  1     34.144255211           -0.29677129163E-01      
  2      4.7122455921           0.55616824096    
  3      1.8709231845           0.96357766460    
P   1
  1      0.70370016267          1.0000000        
P   1
  1      0.26460000000          1.0000000        
P   1
  1      0.99550000000E-01            1.0000000        
P   1
  1      0.36887339850E-01            1.0000000        
D   4
  1     74.591603465            0.12077454672E-01      
  2     21.590632752            0.74637262154E-01      
  3      7.6246142580           0.23236775502    
  4      2.8632206762           0.39042651680    
D   1
  1      1.0311063388           1.0000000        
D   1
  1      0.33060760691          1.0000000        
D   1
  1      0.10600000000          1.0000000        
F   1
  1      4.4460000000           1.0000000        
F   1
  1      1.0870000000           1.0000000        
G   1
  1      2.8720000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Cu
data:
COPPER
S   8
  1 377518.7992300              0.22811766128E-03      
  2  56589.9843110              0.17688035931E-02      
  3  12878.7117060              0.91993460227E-02      
  4   3645.3752143              0.37411016434E-01      
  5   1187.0072945              0.12189873737    
  6    426.46421902             0.28983900714    
  7    165.70660164             0.41531872174    
  8     65.598942707            0.21905799287    
S   4
  1    414.41265811            -0.24682525053E-01      
  2    128.32056039            -0.11716827406    
  3     20.622089750            0.55301315941    
  4      8.7821226045           0.52242718609    
S   2
  1     13.741372006           -0.22736061821    
  2      2.2431246833           0.71761210873    
S   1
  1      0.89370549079          1.0000000        
S   1
  1      0.10836699534          1.0000000        
S   1
  1      0.38806178058E-01            1.0000000        
P   6
  1   2034.7596692              0.23524822298E-02      
  2    481.90468106             0.19134070751E-01      
  3    154.67482963             0.90171105278E-01      
  4     57.740576969            0.26063284735    
  5     23.099052811            0.42093485770    
  6      9.3882478591           0.24344615121    
P   3
  1     37.596171210           -0.28991094530E-01      
  2      5.1240690810           0.54919083831    
  3      2.0119996085           0.93793330488    
P   1
  1      0.73860686002          1.0000000        
P   1
  1      0.27110000000          1.0000000        
P   1
  1      0.99540000000E-01            1.0000000        
P   1
  1      0.34015997020E-01            1.0000000        
D   4
  1     74.129460637            0.14363216676E-01      
  2     21.359842587            0.86628177096E-01      
  3      7.4995240537           0.25631430541    
  4      2.7601394169           0.40374062368    
D   1
  1      0.95362061236          1.0000000        
D   1
  1      0.28420862520          1.0000000        
D   1
  1      0.85000000000E-01            1.0000000        
F   1
  1      1.2090000000           1.0000000        
F   1
  1      4.9360000000           1.0000000        
G   1
  1      3.2450000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Zn
data:
ZINC
S   8
  1 405924.3102800              0.22442017483E-03      
  2  60846.9557350              0.17402086626E-02      
  3  13847.3430920              0.90513339565E-02      
  4   3919.6158551              0.36817341445E-01      
  5   1276.3594167              0.12004850256    
  6    458.67254435             0.28576057621    
  7    178.28725246             0.41087462062    
  8     70.612192837            0.21816962456    
S   4
  1    443.88077950            -0.24934274984E-01      
  2    137.55875267            -0.11817955766    
  3     22.268083479            0.55367318468    
  4      9.5217310606           0.52628934936    
S   2
  1     14.874114065           -0.22929955254    
  2      2.4647517612           0.71135484742    
S   1
  1      1.0113272238           1.0000000        
S   1
  1      0.14919852089          1.0000000        
S   1
  1      0.51441872981E-01            1.0000000        
P   6
  1   2205.3508534              0.23356240448E-02      
  2    522.35300699             0.19031022634E-01      
  3    167.73055542             0.89955758675E-01      
  4     62.670045373            0.26113248631    
  5     25.109749456            0.42348448173    
  6     10.225142681            0.24618926885    
P   3
  1     40.713442521           -0.30029667592E-01      
  2      5.6247090696           0.55575254864    
  3      2.2279949116           0.95581013442    
P   1
  1      0.83354741691          1.0000000        
P   1
  1      0.16245500000          1.0000000        
P   1
  1      0.47769000000E-01            1.0000000        
P   1
  1      0.21234841485E-01            1.0000000        
D   4
  1     88.554315311            0.12728170015E-01      
  2     25.721525557            0.79394499843E-01      
  3      9.1278367624           0.24491506805    
  4      3.4312364064           0.40390526479    
D   1
  1      1.2308920645           1.0000000        
D   1
  1      0.39031845112          1.0000000        
D   1
  1      0.12400000000          1.0000000        
F   1
  1      1.4330000000           1.0000000        
F   1
  1      5.6940000000           1.0000000        
G   1
  1      3.6170000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Rb
data:
RUBIDIUM
S   2
  1      7.4744618040           0.26997866363    
  2      6.7296180594          -0.42629251814    
S   1
  1      2.7816640004           1.0000000        
S   1
  1      0.53452175148          1.0000000        
S   1
  1      0.22368793034          1.0000000        
S   1
  1      0.32410407052E-01            1.0000000        
S   1
  1      0.14171047424E-01            1.0000000        
P   4
  1      5.6720643194           0.48114224135E-01      
  2      3.3320183956          -0.18485131426    
  3      0.80150054910          0.42811864954    
  4      0.36302220227          0.58673165411    
P   1
  1      0.15733924392          1.0000000        
P   1
  1      0.40000000000E-01            1.0000000        
P   1
  1      0.16000000000E-01            1.0000000        
D   1
  1      0.25907866956          1.0000000        
D   1
  1      0.42507438045E-01            1.0000000        
D   1
  1      0.11909276840E-01            1.0000000        
F   1
  1      0.85245000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Sr
data:
STRONTIUM
S   2
  1     10.000000000           -0.18530550262    
  2      8.5000000000           0.33970355376    
S   1
  1      3.0057048856           1.0000000        
S   1
  1      0.61161287650          1.0000000        
S   1
  1      0.27393841217          1.0000000        
S   1
  1      0.57435564563E-01            1.0000000        
S   1
  1      0.23338198665E-01            1.0000000        
P   4
  1      7.5883077869           0.33731690287E-01      
  2      3.6731307392          -0.20523185005    
  3      0.90496618455          0.49209972665    
  4      0.43310256408          0.62105296512    
P   1
  1      0.20222168964          1.0000000        
P   1
  1      0.72000000000E-01            1.0000000        
P   1
  1      0.25000000000E-01            1.0000000        
D   3
  1      3.6180810000          -0.75010000000E-02      
  2      0.99665600000          0.10809800000    
  3      0.39073500000          0.27854000000    
D   1
  1      0.12277000000          1.0000000        
D   1
  1      0.36655000000E-01            1.0000000        
F   1
  1      0.99540000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Y
data:
YTTRIUM
S   2
  1     10.000000000           -0.17487686796    
  2      8.5000000000           0.34152345084    
S   1
  1      3.3653905454           1.0000000        
S   1
  1      0.68860679385          1.0000000        
S   1
  1      0.31191502936          1.0000000        
S   1
  1      0.70326042567E-01            1.0000000        
S   1
  1      0.27733859327E-01            1.0000000        
P   4
  1      8.0554093616           0.36410978939E-01      
  2      4.0163458751          -0.20872572547    
  3      1.0232915404           0.48956929335    
  4      0.49843561636          0.60611943833    
P   1
  1      0.23307661842          1.0000000        
P   1
  1      0.80000000000E-01            1.0000000        
P   1
  1      0.27000000000E-01            1.0000000        
D   3
  1      3.9030833060          -0.98209792625E-02      
  2      1.1363234302           0.19183629664    
  3      0.45617043877          0.40597788539    
D   1
  1      0.17470950748          1.0000000        
D   1
  1      0.61978796638E-01            1.0000000        
F   1
  1      0.38611000000          1.0000000        
F   1
  1      0.10766000000          1.0000000        
G   1
  1      0.11149000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Zr
data:
ZIRCONIUM
S   2
  1     11.000000000           -0.19075595257    
  2      9.5000000000           0.33895588754    
S   1
  1      3.6383667759           1.0000000        
S   1
  1      0.76822026698          1.0000000        
S   1
  1      0.34036824036          1.0000000        
S   1
  1      0.75261298085E-01            1.0000000        
S   1
  1      0.30131404705E-01            1.0000000        
P   4
  1      8.6066305543           0.40404260236E-01      
  2      4.4400979958          -0.21187745201    
  3      1.1281026946           0.49164266891    
  4      0.54346076310          0.57303370658    
P   1
  1      0.25022406048          1.0000000        
P   1
  1      0.85000000000E-01            1.0000000        
P   1
  1      0.29000000000E-01            1.0000000        
D   3
  1      4.5567957795          -0.96190569023E-02      
  2      1.2904939797           0.20569990155    
  3      0.51646987222          0.41831381851    
D   1
  1      0.19349797794          1.0000000        
D   1
  1      0.67309809967E-01            1.0000000        
F   1
  1      0.65322000000          1.0000000        
F   1
  1      0.18293000000          1.0000000        
G   1
  1      0.28989000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Nb
data:
NIOBIUM
S   2
  1     12.000000000           -0.20219507530    
  2     10.500000000            0.33640105939    
S   1
  1      3.9276062854           1.0000000        
S   1
  1      0.85976543258          1.0000000        
S   1
  1      0.39074087505          1.0000000        
S   1
  1      0.86387259879E-01            1.0000000        
S   1
  1      0.32906200326E-01            1.0000000        
P   4
  1      9.2056285646           0.43347689874E-01      
  2      4.8679632125          -0.21302479233    
  3      1.2442155792           0.48102127136    
  4      0.60390590312          0.53917858960    
P   1
  1      0.27967675553          1.0000000        
P   1
  1      0.90000000000E-01            1.0000000        
P   1
  1      0.30000000000E-01            1.0000000        
D   3
  1      4.6170975867          -0.13574476955E-01      
  2      1.5663438480           0.20374310496    
  3      0.66952425826          0.42997453105    
D   1
  1      0.27140946867          1.0000000        
D   1
  1      0.10054426592          1.0000000        
F   1
  1      0.91801000000          1.0000000        
F   1
  1      0.25820000000          1.0000000        
G   1
  1      0.46829000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Mo
data:
MOLYBDENUM
S   2
  1     14.000000000           -0.22490043406    
  2     12.500000000            0.33151248555    
S   1
  1      4.0921501803           1.0000000        
S   1
  1      0.97053602586          1.0000000        
S   1
  1      0.44217620170          1.0000000        
S   1
  1      0.92915024334E-01            1.0000000        
S   1
  1      0.35016314389E-01            1.0000000        
P   4
  1      8.8931117915           0.69994449475E-01      
  2      5.4689112270          -0.23547141883    
  3      1.3548473007           0.46315460007    
  4      0.65494867461          0.48820184710    
P   1
  1      0.30428197472          1.0000000        
P   1
  1      0.10000000000          1.0000000        
P   1
  1      0.33000000000E-01            1.0000000        
D   3
  1      5.0044445497          -0.21587364862E-01      
  2      1.7736823324           0.20958680086    
  3      0.76950591696          0.43730880599    
D   1
  1      0.31530878939          1.0000000        
D   1
  1      0.11754374390          1.0000000        
F   1
  1      1.1805100000           1.0000000        
F   1
  1      0.33348000000          1.0000000        
G   1
  1      0.64670000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Tc
data:
TECHNETIUM
S   2
  1     15.000000000           -0.19945408941    
  2     12.910581694            0.33689922245    
S   1
  1      4.4493321158           1.0000000        
S   1
  1      1.0548409451           1.0000000        
S   1
  1      0.47909677246          1.0000000        
S   1
  1      0.99124162989E-01            1.0000000        
S   1
  1      0.36882799789E-01            1.0000000        
P   4
  1     10.027138011            0.61481602710E-01      
  2      5.8463419741          -0.23600729385    
  3      1.4968345491           0.47746483995    
  4      0.72934632066          0.50731543496    
P   1
  1      0.33913558879          1.0000000        
P   1
  1      0.11000000000          1.0000000        
P   1
  1      0.35000000000E-01            1.0000000        
D   3
  1      5.0906268699          -0.32176405405E-01      
  2      2.0156178510           0.21280802536    
  3      0.88113887240          0.44403309175    
D   1
  1      0.36427094833          1.0000000        
D   1
  1      0.13678402297          1.0000000        
F   1
  1      1.4406400000           1.0000000        
F   1
  1      0.40875000000          1.0000000        
G   1
  1      0.82510000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Ru
data:
RUTHENIUM
S   2
  1     16.000000000           -0.20634002919    
  2     13.910581694            0.33550437725    
S   1
  1      4.7967971407           1.0000000        
S   1
  1      1.1555425594           1.0000000        
S   1
  1      0.52455741182          1.0000000        
S   1
  1      0.10734572646          1.0000000        
S   1
  1      0.39432760192E-01            1.0000000        
P   4
  1     11.187208671            0.53225073263E-01      
  2      6.2477688734          -0.22731662050    
  3      1.6279472859           0.47869486056    
  4      0.79326493538          0.50213311567    
P   1
  1      0.36707276865          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   3
  1      5.7341846619          -0.35266111560E-01      
  2      2.2483686294           0.21802502222    
  3      0.98376978359          0.44709565013    
D   1
  1      0.40379445583          1.0000000        
D   1
  1      0.14978618173          1.0000000        
F   1
  1      1.7077900000           1.0000000        
F   1
  1      0.48442000000          1.0000000        
G   1
  1      1.0093000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Rh
data:
RHODIUM
S   2
  1     17.000000000           -0.16690803139    
  2     13.910581694            0.34235001652    
S   1
  1      5.2481265288           1.0000000        
S   1
  1      1.2262575928           1.0000000        
S   1
  1      0.53930216349          1.0000000        
S   1
  1      0.10130730377          1.0000000        
S   1
  1      0.37124139005E-01            1.0000000        
P   4
  1     11.767103631            0.59494859388E-01      
  2      6.7485133083          -0.23735853477    
  3      1.7502679834           0.49019334303    
  4      0.84321166133          0.50623933751    
P   1
  1      0.38295544759          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     19.857830136            0.66960778187E-02      
  2     10.061378139           -0.21981738213E-01      
  3      2.2619546477           0.37918706236    
  4      0.97098845035          0.67289976592    
D   1
  1      0.38391195297          1.0000000        
D   1
  1      0.13537026904          1.0000000        
F   1
  1      1.9750700000           1.0000000        
F   1
  1      0.56009000000          1.0000000        
G   1
  1      1.1935000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Pd
data:
PALLADIUM
S   2
  1     18.000000000           -0.16605388598    
  2     14.662134308            0.34899955055    
S   1
  1      5.6388709265           1.0000000        
S   1
  1      1.3198953252           1.0000000        
S   1
  1      0.57817908509          1.0000000        
S   1
  1      0.10352166239          1.0000000        
S   1
  1      0.37548442674E-01            1.0000000        
P   4
  1     12.552899300            0.61728998206E-01      
  2      7.2444496380          -0.24178626753    
  3      1.8905941078           0.49453200915    
  4      0.90737168760          0.50454362626    
P   1
  1      0.40877210813          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     22.357457575            0.39559479546E-02      
  2     10.682526382           -0.14039011601E-01      
  3      2.4858232550           0.24219476776    
  4      1.0735333903           0.42580283281    
D   1
  1      0.42613842853          1.0000000        
D   1
  1      0.15046355385          1.0000000        
F   1
  1      2.2424600000           1.0000000        
F   1
  1      0.63575000000          1.0000000        
G   1
  1      1.3777000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Ag
data:
SILVER
S   2
  1     19.000000000           -0.16600104141    
  2     15.428199933            0.35665095918    
S   1
  1      6.0553507268           1.0000000        
S   1
  1      1.4162368935           1.0000000        
S   1
  1      0.61758635858          1.0000000        
S   1
  1      0.10474197431          1.0000000        
S   1
  1      0.37685106264E-01            1.0000000        
P   4
  1     13.188180180            0.66928737147E-01      
  2      7.7952789138          -0.24735235409    
  3      2.0351571912           0.49154280216    
  4      0.98093914842          0.49741609006    
P   1
  1      0.44451179958          1.0000000        
P   1
  1      0.13000000000          1.0000000        
P   1
  1      0.41200000000E-01            1.0000000        
D   4
  1     25.784397351            0.35645063082E-02      
  2     11.396636755           -0.12984262784E-01      
  3      2.7345581361           0.24108826548    
  4      1.1873583605           0.42412330744    
D   1
  1      0.47316910566          1.0000000        
D   1
  1      0.16746017986          1.0000000        
F   1
  1      2.5100300000           1.0000000        
F   1
  1      0.71142000000          1.0000000        
G   1
  1      1.5619000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Cd
data:
CADMIUM
S   2
  1     20.000000000           -0.17401196927    
  2     16.309051661            0.37137277194    
S   1
  1      6.4512709901           1.0000000        
S   1
  1      1.5350047390           1.0000000        
S   1
  1      0.68983631523          1.0000000        
S   1
  1      0.13475720977          1.0000000        
S   1
  1      0.47416874527E-01            1.0000000        
P   4
  1     14.000681404            0.69333062793E-01      
  2      8.3094019872          -0.25420103681    
  3      2.2020058122           0.49200980368    
  4      1.0779246137           0.49702118131    
P   1
  1      0.50111879846          1.0000000        
P   1
  1      0.16000000000          1.0000000        
P   1
  1      0.51600000000E-01            1.0000000        
D   4
  1     30.380789793            0.32545123835E-02      
  2     11.474551578           -0.14212074843E-01      
  3      3.0507394903           0.24961756436    
  4      1.3622028524           0.44905635176    
D   1
  1      0.56399409888          1.0000000        
D   1
  1      0.20916686535          1.0000000        
F   1
  1      2.8400100000           1.0000000        
F   1
  1      0.82048000000          1.0000000        
G   1
  1      1.7896000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Cs
data:
CESIUM
S   3
  1      5.8778113443           0.12859994983    
  2      4.3631538286          -0.34632569725    
  3      1.8048475155           0.69930637051    
S   1
  1      0.37485237136          1.0000000        
S   1
  1      0.16384858778          1.0000000        
S   1
  1      0.27230462048E-01            1.0000000        
S   1
  1      0.11991533212E-01            1.0000000        
P   4
  1      4.2751856154           0.45723074174E-01      
  2      1.9656663360          -0.25019961976    
  3      0.47689195212          0.55660850066    
  4      0.21529749588          0.58218553406    
P   1
  1      0.91450850296E-01            1.0000000        
P   1
  1      0.40000000000E-01            1.0000000        
P   1
  1      0.14000000000E-01            1.0000000        
D   1
  1      0.27941471548          1.0000000        
D   1
  1      0.62419809739E-01            1.0000000        
D   1
  1      0.15987870156E-01            1.0000000        
F   1
  1      0.58777000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: La
data:
LANTHANUM
S   2
  1      5.0873990000          -0.44174952534    
  2      4.2709780000           0.85812466843    
S   1
  1      2.1823656045           1.0000000        
S   1
  1      0.48966533785          1.0000000        
S   1
  1      0.23301675348          1.0000000        
S   1
  1      0.55719523051E-01            1.0000000        
S   1
  1      0.22854708808E-01            1.0000000        
P   4
  1      6.0000000000          -0.11397960924E-01      
  2      3.6808191615           0.14675038550    
  3      2.3265462081          -0.35581819167    
  4      0.64342629633          0.45834955229    
P   1
  1      0.33584281962          1.0000000        
P   1
  1      0.16519051916          1.0000000        
P   1
  1      0.35400000000E-01            1.0000000        
P   1
  1      0.20573221543E-01            1.0000000        
D   3
  1      1.2675288018          -0.17569274035    
  2      0.89395340284          0.25139922933    
  3      0.33095767339          0.44603267053    
D   1
  1      0.13461377501          1.0000000        
D   1
  1      0.51441629839E-01            1.0000000        
F   1
  1      0.38941000000          1.0000000        
F   1
  1      0.12043000000          1.0000000        
G   1
  1      0.17907000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Hf
data:
HAFNIUM
S   4
  1     24.000000000            0.19369448644    
  2     16.000000000           -3.5064630782     
  3     14.400000000            4.3082581000     
  4     10.304504667           -0.91045809742    
S   1
  1      3.8426510824           1.0000000        
S   1
  1      0.93296029049          1.0000000        
S   1
  1      0.42615320942          1.0000000        
S   1
  1      0.93366560195E-01            1.0000000        
S   1
  1      0.35532895141E-01            1.0000000        
P   4
  1     17.000000000           -0.30316491880E-01      
  2     11.738072097            0.10139279686    
  3      4.9203967161          -0.28227924657    
  4      1.1251726138           0.52032008501    
P   1
  1      0.54220114055          1.0000000        
P   1
  1      0.25659447877          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
P   1
  1      0.27141733701E-01            1.0000000        
D   3
  1      3.9820623229          -0.42446023944E-01      
  2      1.3077987772           0.18409232564    
  3      0.53272310298          0.41484423516    
D   1
  1      0.20564954488          1.0000000        
D   1
  1      0.73099858787E-01            1.0000000        
F   1
  1      0.53104000000          1.0000000        
F   1
  1      0.16537000000          1.0000000        
G   1
  1      0.29036000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Ta
data:
TANTALUM
S   4
  1     24.473650944            0.20590322488    
  2     18.721372549           -0.74670795514    
  3     11.500000000            3.4071363897     
  4     10.350000000           -2.8175487609     
S   1
  1      3.8436180089           1.0000000        
S   1
  1      1.0202266016           1.0000000        
S   1
  1      0.46774781869          1.0000000        
S   1
  1      0.10323186670          1.0000000        
S   1
  1      0.38674461203E-01            1.0000000        
P   4
  1     17.000000000           -0.32577305616E-01      
  2     12.008186536            0.10336287365    
  3      5.0278760583          -0.28526521696    
  4      1.1937124184           0.51790141155    
P   1
  1      0.57889707053          1.0000000        
P   1
  1      0.27225198801          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
P   1
  1      0.27701105074E-01            1.0000000        
D   3
  1      3.9738796278          -0.52799310714E-01      
  2      1.4528884813           0.18558319471    
  3      0.61042908544          0.42959071631    
D   1
  1      0.24216276510          1.0000000        
D   1
  1      0.87909318337E-01            1.0000000        
F   1
  1      0.67066000000          1.0000000        
F   1
  1      0.21031000000          1.0000000        
G   1
  1      0.40165000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: W
data:
TUNGSTEN
S   3
  1     30.000000000            0.32246483410    
  2     27.000000000           -0.46692257214    
  3     13.078045684            0.42699563776    
S   1
  1      4.8100449717           1.0000000        
S   1
  1      0.98497804263          1.0000000        
S   1
  1      0.44910485344          1.0000000        
S   1
  1      0.11448352920          1.0000000        
S   1
  1      0.41720421956E-01            1.0000000        
P   4
  1     17.000000000           -0.37817768433E-01      
  2     12.431973432            0.10905673845    
  3      5.1586217658          -0.29399955020    
  4      1.2801454812           0.51560726697    
P   1
  1      0.62856790898          1.0000000        
P   1
  1      0.29380423553          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
P   1
  1      0.27938779011E-01            1.0000000        
D   4
  1      7.4064737315           0.86993963018E-01      
  2      5.9026268603          -0.17667540011    
  3      1.2984756750           0.55145697030    
  4      0.57153508541          0.95313596535    
D   1
  1      0.23845526606          1.0000000        
D   1
  1      0.91144267331E-01            1.0000000        
F   1
  1      0.80824000000          1.0000000        
F   1
  1      0.25524000000          1.0000000        
G   1
  1      0.51293000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Re
data:
RHENIUM
S   3
  1     30.000000000            0.31780717811    
  2     27.000000000           -0.46492321332    
  3     13.078045684            0.45723641305    
S   1
  1      5.0352712861           1.0000000        
S   1
  1      1.0482706438           1.0000000        
S   1
  1      0.47708773413          1.0000000        
S   1
  1      0.12225857255          1.0000000        
S   1
  1      0.44007400609E-01            1.0000000        
P   4
  1     18.000000000           -0.26890962397E-01      
  2     12.318606250            0.99711498502E-01      
  3      5.3719234505          -0.29289398145    
  4      1.3506646748           0.51466301434    
P   1
  1      0.66212816808          1.0000000        
P   1
  1      0.31071385193          1.0000000        
P   1
  1      0.70000000000E-01            1.0000000        
P   1
  1      0.29651190664E-01            1.0000000        
D   4
  1      7.7352877672           0.83901798556E-01      
  2      6.0949443610          -0.17722258734    
  3      1.3871105497           0.55238259692    
  4      0.62324027854          0.91980111239    
D   1
  1      0.26517328547          1.0000000        
D   1
  1      0.10321096849          1.0000000        
F   1
  1      0.94386000000          1.0000000        
F   1
  1      0.30018000000          1.0000000        
G   1
  1      0.62422000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Os
data:
OSMIUM
S   3
  1     30.000000000            0.32213004804    
  2     27.000000000           -0.47922918137    
  3     13.524730005            0.47465946837    
S   1
  1      5.2402883472           1.0000000        
S   1
  1      1.1306661245           1.0000000        
S   1
  1      0.51689966917          1.0000000        
S   1
  1      0.13222953545          1.0000000        
S   1
  1      0.47220318801E-01            1.0000000        
P   4
  1     15.500000000            0.16016463376    
  2     14.000000000           -0.23201520402    
  3      5.5458290420           0.29772587274    
  4      1.4139502215          -0.54253238176    
P   1
  1      0.68136686765          1.0000000        
P   1
  1      0.30911452647          1.0000000        
P   1
  1      0.52000000000E-01            1.0000000        
P   1
  1      0.20765932045E-01            1.0000000        
D   4
  1      8.2945059487           0.69648222110E-01      
  2      6.3060397430          -0.16444229630    
  3      1.4890109110           0.55154541033    
  4      0.67315390607          0.88461370291    
D   1
  1      0.28590805222          1.0000000        
D   1
  1      0.11058012051          1.0000000        
F   1
  1      1.0672900000           1.0000000        
F   1
  1      0.34222000000          1.0000000        
G   1
  1      0.75489000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Ir
data:
IRIDIUM
S   3
  1     30.000000000            0.30797903228    
  2     27.000000000           -0.46726361781    
  3     13.961973911            0.47161003146    
S   1
  1      5.3956977802           1.0000000        
S   1
  1      1.2149128721           1.0000000        
S   1
  1      0.55885743756          1.0000000        
S   1
  1      0.14097974313          1.0000000        
S   1
  1      0.50021924989E-01            1.0000000        
P   4
  1     15.902664143           -0.16290720099    
  2     14.415830698            0.23483212987    
  3      5.7597608991          -0.30305337176    
  4      1.5008913108           0.55512982069    
P   1
  1      0.72348035957          1.0000000        
P   1
  1      0.32785980328          1.0000000        
P   1
  1      0.56000000000E-01            1.0000000        
P   1
  1      0.22945585397E-01            1.0000000        
D   4
  1      8.6321692504           0.75000099949E-01      
  2      6.5898192302          -0.17326965173    
  3      1.5808379663           0.55065196913    
  4      0.71827834905          0.85273641436    
D   1
  1      0.30571851998          1.0000000        
D   1
  1      0.11827071879          1.0000000        
F   1
  1      1.1885700000           1.0000000        
F   1
  1      0.38426000000          1.0000000        
G   1
  1      0.88556000000          1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Pt
data:
PLATINUM
S   3
  1     30.000000000            0.27148263900    
  2     27.000000000           -0.42226758774    
  3     14.408318564            0.44361581995    
S   1
  1      5.5335788010           1.0000000        
S   1
  1      1.2986438223           1.0000000        
S   1
  1      0.58759393108          1.0000000        
S   1
  1      0.13845587261          1.0000000        
S   1
  1      0.49204459888E-01            1.0000000        
P   4
  1     15.500000000           -0.15672718629    
  2     14.000000000            0.23853412989    
  3      6.1161212339          -0.31041379733    
  4      1.5715586385           0.56473525089    
P   1
  1      0.75132510781          1.0000000        
P   1
  1      0.33306466812          1.0000000        
P   1
  1      0.57000000000E-01            1.0000000        
P   1
  1      0.20441532514E-01            1.0000000        
D   4
  1      8.3207937611           0.62945798646E-01      
  2      7.4207226520          -0.90271847072E-01      
  3      1.6570410639           0.16812526416    
  4      0.73943569960          0.25045416970    
D   1
  1      0.30510856008          1.0000000        
D   1
  1      0.11350405268          1.0000000        
F   1
  1      1.3077100000           1.0000000        
F   1
  1      0.42630000000          1.0000000        
G   1
  1      1.0162300000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Au
data:
GOLD
S   3
  1     30.000000000            0.20749231108    
  2     27.000000000           -0.33267893394    
  3     14.746824331            0.38302817958    
S   1
  1      5.6017248938           1.0000000        
S   1
  1      1.3874162443           1.0000000        
S   1
  1      0.62923031957          1.0000000        
S   1
  1      0.14027517613          1.0000000        
S   1
  1      0.49379413761E-01            1.0000000        
P   4
  1     15.500000000            0.15001711880    
  2     14.000000000           -0.23609813183    
  3      6.4227368205           0.31458896948    
  4      1.6595601681          -0.57279670446    
P   1
  1      0.79402913993          1.0000000        
P   1
  1      0.35125155397          1.0000000        
P   1
  1      0.45000000000E-01            1.0000000        
P   1
  1      0.11801737494          1.0000000        
D   4
  1      9.5524098656           0.40145559502E-01      
  2      7.2698886937          -0.93690906606E-01      
  3      1.7746496789           0.31746282317    
  4      0.79960541055          0.46795192483    
D   1
  1      0.33252279372          1.0000000        
D   1
  1      0.12445133105          1.0000000        
F   1
  1      1.4246900000           1.0000000        
F   1
  1      0.46834000000          1.0000000        
G   1
  1      1.1469000000           1.0000000        


name: Def2-TZVPPD
description: def2-TZVPPD Triple-Zeta-Valence basis set + Two Sets of Polarization + Diffuse basis functions
elt: Hg
data:
MERCURY
S   3
  1     48.013786990            0.58008164912E-02      
  2     21.239875095           -0.17328165235    
  3     15.876100879            0.36416685034    
S   1
  1      5.5180531820           1.0000000        
S   1
  1      1.5099145479           1.0000000        
S   1
  1      0.70683482159          1.0000000        
S   1
  1      0.16266265576          1.0000000        
S   1
  1      0.56960589112E-01            1.0000000        
P   4
  1     17.500000000           -0.86457187331E-01      
  2     15.252594855            0.15327318234    
  3      6.4404715169          -0.30274955249    
  4      1.8180159920           0.54361285026    
P   1
  1      0.90067981801          1.0000000        
P   1
  1      0.41304540122          1.0000000        
P   1
  1      0.11845702655          1.0000000        
P   1
  1      0.36087619349E-01            1.0000000        
P   1
  1      0.60299307803E-01            1.0000000        
D   4
  1     10.028197701            0.39922353165E-01      
  2      7.5920661493          -0.94774230522E-01      
  3      1.9144256118           0.31164157463    
  4      0.88641552102          0.45567078406    
D   1
  1      0.38154235320          1.0000000        
D   1
  1      0.14880740086          1.0000000        
F   1
  1      1.5521700000           1.0000000        
F   1
  1      0.52431000000          1.0000000        
G   1
  1      1.2895000000           1.0000000        


name: Dunning-Hay Diffuse
description: 1D Diffuse Functions
elt: Li
data:
LITHIUM
S   1
  1      0.0107000              1.0000000        
P   1
  1      0.0078000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: B
data:
BORON
S   1
  1      0.0190000              1.0000000        
S   1
  1      0.0047000              1.0000000        
P   1
  1      0.0150000              1.0000000        
P   1
  1      0.0041000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: C
data:
CARBON
S   1
  1      0.0230000              1.0000000        
S   1
  1      0.0055000              1.0000000        
P   1
  1      0.0210000              1.0000000        
P   1
  1      0.0049000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: N
data:
NITROGEN
S   1
  1      0.0280000              1.0000000        
S   1
  1      0.0066000              1.0000000        
P   1
  1      0.0250000              1.0000000        
P   1
  1      0.0051000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: O
data:
OXYGEN
S   1
  1      0.0320000              1.0000000        
S   1
  1      0.0066000              1.0000000        
P   1
  1      0.0280000              1.0000000        
P   1
  1      0.0054000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: F
data:
FLUORINE
S   1
  1      0.0360000              1.0000000        
S   1
  1      0.0066000              1.0000000        
P   1
  1      0.0290000              1.0000000        
P   1
  1      0.0054000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: Ne
data:
NEON
S   1
  1      0.0400000              1.0000000        
S   1
  1      0.0066000              1.0000000        
P   1
  1      0.0300000              1.0000000        
P   1
  1      0.0054000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: Al
data:
ALUMINUM
S   1
  1      0.0140000              1.0000000        
S   1
  1      0.0035000              1.0000000        
P   1
  1      0.0110000              1.0000000        
P   1
  1      0.0030000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: Si
data:
SILICON
S   1
  1      0.0170000              1.0000000        
S   1
  1      0.0041000              1.0000000        
P   1
  1      0.0140000              1.0000000        
P   1
  1      0.0033000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: P
data:
PHOSPHOROUS
S   1
  1      0.0200000              1.0000000        
S   1
  1      0.0047000              1.0000000        
P   1
  1      0.0170000              1.0000000        
P   1
  1      0.0035000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: S
data:
SULFUR
S   1
  1      0.0230000              1.0000000        
S   1
  1      0.0047000              1.0000000        
P   1
  1      0.0200000              1.0000000        
P   1
  1      0.0039000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: Cl
data:
CHLORINE
S   1
  1      0.0250000              1.0000000        
S   1
  1      0.0046000              1.0000000        
P   1
  1      0.0200000              1.0000000        
P   1
  1      0.0037000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Double Rydberg
description: 2R Double Rydberg Functions
elt: Ar
data:
ARGON
S   1
  1      0.0270000              1.0000000        
S   1
  1      0.0045000              1.0000000        
P   1
  1      0.0200000              1.0000000        
P   1
  1      0.0037000              1.0000000        
D   1
  1      0.0150000              1.0000000        
D   1
  1      0.0032000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: B
data:
BORON
S   1
  1      0.0190000              1.0000000        
P   1
  1      0.0150000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: C
data:
CARBON
S   1
  1      0.0230000              1.0000000        
P   1
  1      0.0210000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: N
data:
NITROGEN
S   1
  1      0.0280000              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: O
data:
OXYGEN
S   1
  1      0.0320000              1.0000000        
P   1
  1      0.0280000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: F
data:
FLUORINE
S   1
  1      0.0360000              1.0000000        
P   1
  1      0.0290000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: Ne
data:
NEON
S   1
  1      0.0400000              1.0000000        
P   1
  1      0.0300000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: Al
data:
ALUMINUM
S   1
  1      0.0140000              1.0000000        
P   1
  1      0.0110000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: Si
data:
SILICON
S   1
  1      0.0170000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: P
data:
PHOSPHOROUS
S   1
  1      0.0200000              1.0000000        
P   1
  1      0.0170000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: S
data:
SULFUR
S   1
  1      0.0230000              1.0000000        
P   1
  1      0.0200000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: Cl
data:
CHLORINE
S   1
  1      0.0250000              1.0000000        
P   1
  1      0.0200000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: Dunning-Hay Rydberg
description: 1R Rydberg Functions
elt: Ar
data:
ARGON
S   1
  1      0.0270000              1.0000000        
P   1
  1      0.0200000              1.0000000        
D   1
  1      0.0150000              1.0000000        


name: ECP10MDF
description: N/A
elt: Cu
data:
COPPER
S   11
  1   1807.7308250              0.0001880        
  2    251.7439650              0.0010750        
  3     58.1825800             -0.0210190        
  4     39.8134860              0.0703230        
  5     10.7973110             -0.4181020        
  6      2.5022870              0.6206780        
  7      1.1971720              0.5005230        
  8      0.8226210              0.0109790        
  9      0.5556120              0.0961160        
 10      0.1416690              0.0020990        
 11      0.0616920              0.0007320        
S   11
  1   1807.7308250             -0.0000490        
  2    251.7439650             -0.0002250        
  3     58.1825800              0.0041060        
  4     39.8134860             -0.0153120        
  5     10.7973110              0.1040150        
  6      2.5022870             -0.2018010        
  7      1.1971720             -0.1061540        
  8      0.8226210             -0.2414500        
  9      0.5556120              0.1046320        
 10      0.1416690              0.4978050        
 11      0.0616920              0.4845030        
S   11
  1   1807.7308250              0.0001110        
  2    251.7439650              0.0003560        
  3     58.1825800             -0.0058710        
  4     39.8134860              0.0277870        
  5     10.7973110             -0.2261350        
  6      2.5022870              0.6702810        
  7      1.1971720             -0.3780580        
  8      0.8226210              1.5951580        
  9      0.5556120             -1.7221490        
 10      0.1416690             -1.0173390        
 11      0.0616920              0.8210450        
S   11
  1   1807.7308250              0.0003040        
  2    251.7439650             -0.0005380        
  3     58.1825800              0.0139890        
  4     39.8134860              0.0135090        
  5     10.7973110             -0.4280050        
  6      2.5022870              1.9843720        
  7      1.1971720             -1.3420200        
  8      0.8226210              0.8909640        
  9      0.5556120             -2.0755070        
 10      0.1416690              1.7954940        
 11      0.0616920             -0.1966680        
S   11
  1   1807.7308250             -0.0008800        
  2    251.7439650              0.0073980        
  3     58.1825800             -0.1513190        
  4     39.8134860              0.1927310        
  5     10.7973110              0.3931050        
  6      2.5022870             -4.0423060        
  7      1.1971720              7.3279370        
  8      0.8226210             -1.3511920        
  9      0.5556120             -3.1848160        
 10      0.1416690              0.0057920        
 11      0.0616920              1.8875070        
S   1
  1      0.0274420              1.0000000        
P   11
  1    349.7826230              0.0002460        
  2     57.5634020              0.0051040        
  3     20.8781360             -0.0431930        
  4     14.3987150             -0.0476770        
  5      4.6686920              0.2970480        
  6      2.2476330              0.4745230        
  7      1.0321260              0.3133830        
  8      0.4260790              0.0610900        
  9      0.2415970             -0.0036660        
 10      0.0945850              0.0022710        
 11      0.0383860             -0.0007250        
P   11
  1    349.7826230             -0.0000300        
  2     57.5634020             -0.0006680        
  3     20.8781360              0.0061660        
  4     14.3987150              0.0047530        
  5      4.6686920             -0.0409020        
  6      2.2476330             -0.0668560        
  7      1.0321260             -0.0403450        
  8      0.4260790              0.0081790        
  9      0.2415970              0.1123000        
 10      0.0945850              0.3113450        
 11      0.0383860              0.4905040        
P   11
  1    349.7826230             -0.0001490        
  2     57.5634020             -0.0034610        
  3     20.8781360              0.0361860        
  4     14.3987150              0.0173150        
  5      4.6686920             -0.2537580        
  6      2.2476330             -0.3546670        
  7      1.0321260              0.1185350        
  8      0.4260790              0.4407700        
  9      0.2415970              0.4924600        
 10      0.0945850              0.1122730        
 11      0.0383860             -0.4259700        
P   11
  1    349.7826230             -0.0002940        
  2     57.5634020             -0.0052940        
  3     20.8781360              0.0680540        
  4     14.3987150              0.0228840        
  5      4.6686920             -0.6229320        
  6      2.2476330             -0.3706470        
  7      1.0321260              0.9478670        
  8      0.4260790              0.7553840        
  9      0.2415970             -1.0122010        
 10      0.0945850             -0.5002490        
 11      0.0383860              0.4543220        
P   11
  1    349.7826230              0.0003790        
  2     57.5634020              0.0078090        
  3     20.8781360             -0.1468790        
  4     14.3987150              0.0559470        
  5      4.6686920              1.3098250        
  6      2.2476330             -0.9199820        
  7      1.0321260             -1.1941230        
  8      0.4260790              2.2070120        
  9      0.2415970             -0.6715070        
 10      0.0945850             -0.9531650        
 11      0.0383860              0.4207960        
P   1
  1      0.0161320              1.0000000        
D   9
  1    141.4175300              0.0026220        
  2     44.2484920              0.0249910        
  3     17.3655230              0.0938570        
  4      7.3332060              0.2247970        
  5      3.1468850              0.3362040        
  6      1.3025290              0.3455180        
  7      0.5018660              0.2614820        
  8      0.1717620              0.1039270        
  9      0.0600000              0.0038590        
D   9
  1    141.4175300             -0.0033260        
  2     44.2484920             -0.0316600        
  3     17.3655230             -0.1226390        
  4      7.3332060             -0.2993210        
  5      3.1468850             -0.3374060        
  6      1.3025290              0.0696600        
  7      0.5018660              0.5266380        
  8      0.1717620              0.3621340        
  9      0.0600000              0.0294170        
D   9
  1    141.4175300              0.0039900        
  2     44.2484920              0.0387350        
  3     17.3655230              0.1546670        
  4      7.3332060              0.3967910        
  5      3.1468850              0.0979480        
  6      1.3025290             -0.7291680        
  7      0.5018660             -0.0919880        
  8      0.1717620              0.6836510        
  9      0.0600000              0.1357360        
D   9
  1    141.4175300              0.0056620        
  2     44.2484920              0.0554530        
  3     17.3655230              0.2385990        
  4      7.3332060              0.5887970        
  5      3.1468850             -0.7450510        
  6      1.3025290             -0.3992660        
  7      0.5018660              1.0703810        
  8      0.1717620             -0.5648800        
  9      0.0600000             -0.2911750        
F   1
  1      5.1000000              1.0000000        
F   1
  1      1.2750000              1.0000000        
F   1
  1      0.3200000              1.0000000        
G   1
  1      3.6800000              1.0000000        
G   1
  1      0.9200000              1.0000000        


name: ECP60MDF
description: N/A
elt: Hg
data:
MERCURY
S   11
  1    515.0454360              0.0002150        
  2     32.4991900              0.0326290        
  3     22.2377220             -0.2037750        
  4     15.3363600              0.3968850        
  5      5.5713570             -0.8406190        
  6      1.6638520              0.6196270        
  7      1.1386170              0.4039850        
  8      0.7787000              0.2294560        
  9      0.5321660              0.1452330        
 10      0.1710430              0.0082580        
 11      0.0773080             -0.0014000        
S   11
  1    515.0454360             -0.0000900        
  2     32.4991900             -0.0088350        
  3     22.2377220              0.0635850        
  4     15.3363600             -0.1358950        
  5      5.5713570              0.3365230        
  6      1.6638520             -0.4248550        
  7      1.1386170              0.0166430        
  8      0.7787000             -0.5090560        
  9      0.5321660              0.1423990        
 10      0.1710430              0.5565660        
 11      0.0773080              0.5064520        
S   11
  1    515.0454360             -0.0001780        
  2     32.4991900             -0.0259190        
  3     22.2377220              0.1584170        
  4     15.3363600             -0.3140720        
  5      5.5713570              0.7817930        
  6      1.6638520             -1.6316680        
  7      1.1386170              0.9312380        
  8      0.7787000             -2.8459780        
  9      0.5321660              3.2649850        
 10      0.1710430              0.6381380        
 11      0.0773080             -1.0213300        
S   11
  1    515.0454360              0.0002400        
  2     32.4991900              0.0336410        
  3     22.2377220             -0.2089440        
  4     15.3363600              0.4220870        
  5      5.5713570             -1.1526410        
  6      1.6638520              3.4557170        
  7      1.1386170              0.2104550        
  8      0.7787000             -3.2800620        
  9      0.5321660             -0.8122360        
 10      0.1710430              2.7063810        
 11      0.0773080             -0.7935760        
S   11
  1    515.0454360              0.0004770        
  2     32.4991900             -0.0123630        
  3     22.2377220             -0.1010600        
  4     15.3363600              0.4205280        
  5      5.5713570             -1.8196200        
  6      1.6638520             12.5773070        
  7      1.1386170            -14.1041500        
  8      0.7787000             -4.0831790        
  9      0.5321660              8.8639740        
 10      0.1710430             -1.4276560        
 11      0.0773080             -1.4077260        
S   1
  1      0.0355100              1.0000000        
P   11
  1     35.8789210              0.0036980        
  2     23.0524000             -0.0318130        
  3     15.8982070              0.0821320        
  4      6.1873460             -0.3027770        
  5      2.1461790              0.3019560        
  6      1.2986980              0.5056860        
  7      0.6650380              0.3388330        
  8      0.2798340              0.0514810        
  9      0.1283810             -0.0022600        
 10      0.0550830              0.0018330        
 11      0.0216550             -0.0006060        
P   11
  1     35.8789210             -0.0004560        
  2     23.0524000              0.0061470        
  3     15.8982070             -0.0189970        
  4      6.1873460              0.0817050        
  5      2.1461790             -0.1008590        
  6      1.2986980             -0.1653020        
  7      0.6650380             -0.1043470        
  8      0.2798340              0.1464830        
  9      0.1283810              0.3845230        
 10      0.0550830              0.4895080        
 11      0.0216550              0.1621580        
P   11
  1     35.8789210             -0.0009210        
  2     23.0524000              0.0160620        
  3     15.8982070             -0.0528960        
  4      6.1873460              0.2406720        
  5      2.1461790             -0.3062120        
  6      1.2986980             -0.7792750        
  7      0.6650380              0.4151010        
  8      0.2798340              1.0101170        
  9      0.1283810             -0.0606980        
 10      0.0550830             -0.5175220        
 11      0.0216550             -0.2009530        
P   11
  1     35.8789210             -0.0057200        
  2     23.0524000              0.0414210        
  3     15.8982070             -0.1010420        
  4      6.1873460              0.4162660        
  5      2.1461790             -1.0237230        
  6      1.2986980             -0.7407780        
  7      0.6650380              2.2316750        
  8      0.2798340             -0.6395650        
  9      0.1283810             -1.1037030        
 10      0.0550830              0.7264750        
 11      0.0216550              0.2538140        
P   11
  1     35.8789210              0.0023990        
  2     23.0524000             -0.0402000        
  3     15.8982070              0.1385160        
  4      6.1873460             -0.7965030        
  5      2.1461790              4.4022670        
  6      1.2986980             -4.9950260        
  7      0.6650380              0.8902890        
  8      0.2798340              2.0456170        
  9      0.1283810             -2.2883760        
 10      0.0550830              0.7359270        
 11      0.0216550              0.2625730        
P   1
  1      0.0077290              1.0000000        
D   9
  1    104.2147760              0.0000460        
  2     15.3620430              0.0017820        
  3     10.5083340              0.0185090        
  4      7.2471270             -0.0738780        
  5      1.9511780              0.2993520        
  6      0.9079880              0.4534960        
  7      0.3908140              0.3440990        
  8      0.1516960              0.1088580        
  9      0.0600000              0.0025060        
D   9
  1    104.2147760             -0.0001400        
  2     15.3620430              0.0033260        
  3     10.5083340             -0.0427660        
  4      7.2471270              0.1204060        
  5      1.9511780             -0.5873260        
  6      0.9079880             -0.3772970        
  7      0.3908140              0.6701110        
  8      0.1516960              0.4067380        
  9      0.0600000              0.0284070        
D   9
  1    104.2147760              0.0001620        
  2     15.3620430             -0.0043080        
  3     10.5083340              0.0580370        
  4      7.2471270             -0.1665040        
  5      1.9511780              1.1260300        
  6      0.9079880             -0.8405530        
  7      0.3908140             -0.5639440        
  8      0.1516960              0.8510170        
  9      0.0600000              0.1730010        
D   9
  1    104.2147760              0.0018810        
  2     15.3620430             -0.1564580        
  3     10.5083340              0.4196250        
  4      7.2471270             -0.2454820        
  5      1.9511780             -1.4250730        
  6      0.9079880              2.4200420        
  7      0.3908140             -1.8333460        
  8      0.1516960              0.4723480        
  9      0.0600000              0.4797650        
F   1
  1      1.9050000              1.0000000        
F   1
  1      0.6320000              1.0000000        
F   1
  1      0.2100000              1.0000000        
G   1
  1      1.8550000              1.0000000        
G   1
  1      0.6200000              1.0000000        


name: Feller Misc. CVDZ
description: DZP Double Zeta + Polarization on All Atoms
elt: K
data:
POTASSIUM
S   13
  1 167732.8806700             -0.22741684607E-03      
  2  25143.3282730             -0.17645234156E-02      
  3   5722.8388365             -0.91607794686E-02      
  4   1620.6974912             -0.37230485233E-01      
  5    528.55094486            -0.12027311962    
  6    190.58815848            -0.29046321997    
  7     74.197599589           -0.42265456846    
  8     30.258726442           -0.25093309736    
  9      8.7951607936          -0.22187499496E-01      
 10      3.5098770326           0.43398726293E-02      
 11      0.82675809611         -0.13801998010E-02      
 12      0.32663615495          0.68647886806E-03      
 13      0.037199986311        -0.20685429609E-03      
S   13
  1 167732.8806700             -0.65587211337E-04      
  2  25143.3282730             -0.50453233955E-03      
  3   5722.8388365             -0.26712874495E-02      
  4   1620.6974912             -0.10825313738E-01      
  5    528.55094486            -0.37639672944E-01      
  6    190.58815848            -0.98649754788E-01      
  7     74.197599589           -0.20310349570    
  8     30.258726442           -0.14515918517    
  9      8.7951607936           0.49331427496    
 10      3.5098770326           0.62246226649    
 11      0.82675809611          0.54177225262E-01      
 12      0.32663615495         -0.12854840676E-01      
 13      0.037199986311         0.35355049312E-02      
S   13
  1 167732.8806700             -0.21581048789E-04      
  2  25143.3282730             -0.16671995165E-03      
  3   5722.8388365             -0.87787779721E-03      
  4   1620.6974912             -0.35927642327E-02      
  5    528.55094486            -0.12418644143E-01      
  6    190.58815848            -0.33443285450E-01      
  7     74.197599589           -0.69452179807E-01      
  8     30.258726442           -0.55740682369E-01      
  9      8.7951607936           0.23596069453    
 10      3.5098770326           0.45621388058    
 11      0.82675809611         -0.59578539126    
 12      0.32663615495         -0.61646634313    
 13      0.037199986311        -0.24754534321E-01      
S   13
  1 167732.8806700             -0.41768579560E-05      
  2  25143.3282730             -0.32458483878E-04      
  3   5722.8388365             -0.16945561261E-03      
  4   1620.6974912             -0.70174825255E-03      
  5    528.55094486            -0.23899944386E-02      
  6    190.58815848            -0.65802963023E-02      
  7     74.197599589           -0.13295852524E-01      
  8     30.258726442           -0.11513519755E-01      
  9      8.7951607936           0.49612401762E-01      
 10      3.5098770326           0.91764876030E-01      
 11      0.82675809611         -0.13182296464    
 12      0.32663615495         -0.30974600036    
 13      0.037199986311         0.60773426667    
S   1
  1      0.8000000              1.0000000        
S   1
  1      0.018205996372         1.0000000        
P   9
  1   2289.0867328              0.43923717852E-03      
  2    542.55702291             0.37778270044E-02      
  3    175.56639759             0.19982693825E-01      
  4     66.358312978            0.75254431649E-01      
  5     27.590797309            0.20123702493    
  6     12.091991474            0.36045038643    
  7      5.4682266849           0.37628902980    
  8      2.5024402710           0.15266085421    
  9      1.0693169176           0.11857149329E-01      
P   9
  1   2289.0867328             -0.13427742843E-03      
  2    542.55702291            -0.11517483180E-02      
  3    175.56639759            -0.61775234211E-02      
  4     66.358312978           -0.23572222118E-01      
  5     27.590797309           -0.65701676779E-01      
  6     12.091991474           -0.12124415644    
  7      5.4682266849          -0.13929545679    
  8      2.5024402710           0.43817246265E-01      
  9      1.0693169176           0.40788216272    
P   1
  1      2.0000000              1.0000000        
P   1
  1      0.44212394763          1.0000000        
P   1
  1      0.17451913182          1.0000000        
D   1
  1      0.94000000             1.0000000        
D   1
  1      0.07000000             1.0000000        


name: Feller Misc. CVQZ
description: QZ3P Quadruple Zeta + Polarization on All Atoms
elt: K
data:
POTASSIUM
S   17
  1 3552528.0000000             0.5018861113764E-05      
  2 531942.2000000              0.3902894179190E-04      
  3 121055.1000000              0.2052359758256E-03      
  4  34288.6900000              0.8663811826396E-03      
  5  11186.4900000              0.3146081752327E-02      
  6   4038.5190000              0.1016864780960E-01      
  7   1575.1360000              0.2957064211851E-01      
  8    653.2363000              0.7666166135888E-01      
  9    284.7008000              0.1701399614844  
 10    129.1997000              0.2974653339699  
 11     60.5535000              0.3436594800305  
 12     28.7740200              0.1926372747364  
 13     12.4307200              0.2767953969841E-01      
 14      5.9845020             -0.1745755534653E-02      
 15      2.8732810              0.1249835637958E-02      
 16      1.1519320             -0.5344528153665E-03      
 17      0.5364110              0.2271195774599E-0      
S   17
  1 3552528.0000000            -0.1442044402396E-05      
  2 531942.2000000             -0.1120668276534E-04      
  3 121055.1000000             -0.5900627143743E-04      
  4  34288.6900000             -0.2489483337978E-03      
  5  11186.4900000             -0.9076448593494E-03      
  6   4038.5190000             -0.2945193000661E-02      
  7   1575.1360000             -0.8713664555078E-02      
  8    653.2363000             -0.2328296413802E-01      
  9    284.7008000             -0.5573028558032E-01      
 10    129.1997000             -0.1123537657736  
 11     60.5535000             -0.1755771105860  
 12     28.7740200             -0.1314026842093  
 13     12.4307200              0.1927294453506  
 14      5.9845020              0.5624553704277  
 15      2.8732810              0.3769385156766  
 16      1.1519320              0.4100514126799E-01      
 17      0.5364110             -0.3172451536998E-02      
S   17
  1 3552528.0000000             0.4754223598084E-06      
  2 531942.2000000              0.3690151305755E-05      
  3 121055.1000000              0.1946490825471E-04      
  4  34288.6900000              0.8193576032102E-04      
  5  11186.4900000              0.2996893935861E-03      
  6   4038.5190000              0.9695082241008E-03      
  7   1575.1360000              0.2885345261030E-02      
  8    653.2363000              0.7694691674158E-02      
  9    284.7008000              0.1867683985179E-01      
 10    129.1997000              0.3791781309542E-01      
 11     60.5535000              0.6199605157247E-01      
 12     28.7740200              0.4740073825995E-01      
 13     12.4307200             -0.7628732064716E-01      
 14      5.9845020             -0.3165288237952  
 15      2.8732810             -0.3380974101744  
 16      1.1519320              0.2793367416418  
 17      0.5364110              0.6872243665429  
S   17
  1 3552528.0000000             0.7241080740926E-07      
  2 531942.2000000              0.5872892030424E-06      
  3 121055.1000000              0.2905210871562E-05      
  4  34288.6900000              0.1330029277637E-04      
  5  11186.4900000              0.4372041072351E-04      
  6   4038.5190000              0.1610104963160E-03      
  7   1575.1360000              0.4089560868801E-03      
  8    653.2363000              0.1317921524119E-02      
  9    284.7008000              0.2524146988841E-02      
 10    129.1997000              0.6923496006292E-02      
 11     60.5535000              0.7144090566692E-02      
 12     28.7740200              0.1281480060429E-01      
 13     12.4307200             -0.2552146723194E-01      
 14      5.9845020             -0.2157313521321E-01      
 15      2.8732810             -0.1138024096159  
 16      1.1519320              0.1835368957850  
 17      0.5364110             -0.1003133004492  
S   1
  1      0.2367970              1.0000000        
S   1
  1      0.0381580              1.0000000        
S   1
  1      0.0164260              1.0000000        
S   1
  1     31.8000000              1.0000000        
S   1
  1      4.7530000              1.0000000        
S   1
  1      0.7110000              1.0000000        
P   11
  1   8066.7020000              0.4902926715137E-04      
  2   1909.8160000              0.4354657225846E-03      
  3    620.3136000              0.2493444505916E-02      
  4    237.1839000              0.1079594627053E-01      
  5    100.3696000              0.3719881092460E-01      
  6     45.5518000              0.1026641355959  
  7     21.7048300              0.2163629265475  
  8     10.6327500              0.3315083409905  
  9      5.3176730              0.3261499075470  
 10      2.6792220              0.1523596660098  
 11      1.2969570              0.2161753137532E-01      
P   11
  1   8066.7020000             -0.1495289906005E-04      
  2   1909.8160000             -0.1326162204748E-03      
  3    620.3136000             -0.7628750837413E-03      
  4    237.1839000             -0.3313539322406E-02      
  5    100.3696000             -0.1158154630040E-01      
  6     45.5518000             -0.3264552530003E-01      
  7     21.7048300             -0.7120790197381E-01      
  8     10.6327500             -0.1130231011929  
  9      5.3176730             -0.1197314818092  
 10      2.6792220              0.1265628695858E-01      
 11      1.2969570              0.2868632786388  
P   1
  1      6.8200000              1.0000000        
P   1
  1      3.3300000              1.0000000        
P   1
  1      1.5500000              1.0000000        
P   1
  1      0.6113540              1.0000000        
P   1
  1      0.2820620              1.0000000        
P   1
  1      0.1212260              1.0000000        
P   1
  1      1.1510000              1.0000000        
P   1
  1      3.4800000              1.0000000        
D   1
  1      5.0000000              1.0000000        
D   1
  1      1.6660000              1.0000000        
D   1
  1      0.5550000              1.0000000        
D   1
  1      0.1850000              1.0000000        
D   1
  1      0.0617000              1.0000000        
D   1
  1      0.0206000              1.0000000        
F   1
  1      1.8400000              1.0000000        
F   1
  1      0.6130000              1.0000000        
F   1
  1      0.2040000              1.0000000        
F   1
  1      0.0680000              1.0000000        
G   1
  1      2.0000000              1.0000000        
G   1
  1      0.8880000              1.0000000        


name: Feller Misc. CVTZ
description: TZ2P Triple Zeta + Polarization on All Atoms
elt: K
data:
POTASSIUM
S   14
  1 462993.6353600              0.64028016192E-04      
  2  69363.6301990              0.49731928568E-03      
  3  15785.9095240              0.26062503289E-02      
  4   4470.3217497              0.10860124338E-01      
  5   1457.6670074              0.38021754621E-01      
  6    525.58244074             0.11133229779    
  7    204.21593894             0.25670081883    
  8     83.900484392            0.39633709598    
  9     35.510791412            0.29160629103    
 10     13.092100943            0.48116457131E-01      
 11      6.0692166449          -0.70561885470E-02      
 12      2.7528846343           0.28631433027E-02      
 13      0.80206583873         -0.83656893160E-03      
 14      0.30900925472          0.29015876705E-03      
S   14
  1 462993.6353600              0.18383791987E-04      
  2  69363.6301990              0.14304833552E-03      
  3  15785.9095240              0.74960642646E-03      
  4   4470.3217497              0.31509033821E-02      
  5   1457.6670074              0.11188755550E-01      
  6    525.58244074             0.34424004399E-01      
  7    204.21593894             0.87754416048E-01      
  8     83.900484392            0.17476754537    
  9     35.510791412            0.18834246663    
 10     13.092100943           -0.15539357077    
 11      6.0692166449          -0.60038233708    
 12      2.7528846343          -0.38291082970    
 13      0.80206583873         -0.24865030759E-01      
 14      0.30900925472          0.33199310147E-02      
S   14
  1 462993.6353600             -0.60460747711E-05      
  2  69363.6301990             -0.47274690247E-04      
  3  15785.9095240             -0.24604779899E-03      
  4   4470.3217497             -0.10445553307E-02      
  5   1457.6670074             -0.36716833229E-02      
  6    525.58244074            -0.11521433062E-01      
  7    204.21593894            -0.29113561809E-01      
  8     83.900484392           -0.61225695000E-01      
  9     35.510791412           -0.65751700521E-01      
 10     13.092100943            0.53882525370E-01      
 11      6.0692166449           0.35452367197    
 12      2.7528846343           0.29825894952    
 13      0.80206583873         -0.66766786202    
 14      0.30900925472         -0.56614837953    
S   14
  1 462993.6353600             -0.11694940080E-05      
  2  69363.6301990             -0.91970896841E-05      
  3  15785.9095240             -0.47468378060E-04      
  4   4470.3217497             -0.20378642184E-03      
  5   1457.6670074             -0.70628565760E-03      
  6    525.58244074            -0.22576635693E-02      
  7    204.21593894            -0.55780799029E-02      
  8     83.900484392           -0.12155690502E-01      
  9     35.510791412           -0.12299885033E-01      
 10     13.092100943            0.87103269412E-02      
 11      6.0692166449           0.77857981060E-01      
 12      2.7528846343           0.55580272454E-01      
 13      0.80206583873         -0.15026605364    
 14      0.30900925472         -0.29779408300    
S   1
  1      0.034848507637         1.0000000        
S   1
  1      0.015508079835         1.0000000        
S   1
  1      4.7530000              1.0000000        
S   1
  1      0.7110000              1.0000000        
P   10
  1   5398.3853537              0.98813807477E-04      
  2   1278.5505124              0.87165348636E-03      
  3    415.13235401             0.49087500904E-02      
  4    158.37836141             0.20546716044E-01      
  5     66.744622604            0.67144082272E-01      
  6     30.116307272            0.16771511955    
  7     14.162668111            0.30329281823    
  8      6.8205443523           0.36620924678    
  9      3.3283014202           0.22656258486    
 10      1.5527941080           0.44142326173E-01      
P   10
  1   5398.3853537             -0.30041595147E-04      
  2   1278.5505124             -0.26646485884E-03      
  3    415.13235401            -0.14995673032E-02      
  4    158.37836141            -0.63543634632E-02      
  5     66.744622604           -0.21048744817E-01      
  6     30.116307272           -0.54482823409E-01      
  7     14.162668111           -0.10122327536    
  8      6.8205443523          -0.13265247338    
  9      3.3283014202          -0.50283072562E-01      
 10      1.5527941080           0.22634774560    
P   1
  1      0.71550707293          1.0000000        
P   1
  1      0.32098820114          1.0000000        
P   1
  1      0.13560202053          1.0000000        
P   1
  1      1.1510000              1.0000000        
P   1
  1      3.4800000              1.0000000        
D   1
  1      1.7500000              1.0000000        
D   1
  1      0.5050000              1.0000000        
D   1
  1      0.1040000              1.0000000        
D   1
  1      0.0470000              1.0000000        
F   1
  1      1.2000000              1.0000000        
F   1
  1      0.0900000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: H
data:
HYDROGEN
S   3
  1     33.6400000              0.0253740        
  2      5.0580000              0.1896840        
  3      1.1470000              0.8529330        
S   1
  1      0.3211000              1.0000000        
S   1
  1      0.1013000              1.0000000        
P   1
  1      1.0000000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: Be
data:
BERYLLIUM
S   6
  1   3630.0000000              0.0008390        
  2    532.3000000              0.0067350        
  3    117.8000000              0.0357260        
  4     32.6600000              0.1386350        
  5     10.4800000              0.3853990        
  6      3.6680000              0.5476880        
S   2
  1      3.6680000              0.2134060        
  2      1.3540000              0.8146920        
S   1
  1      0.3890000              1.0000000        
S   1
  1      0.1502000              1.0000000        
S   1
  1      0.0524100              1.0000000        
P   3
  1      3.2020000              0.0529120        
  2      0.6923000              0.2676590        
  3      0.2016000              0.7920850        
P   1
  1      0.1183000              1.0000000        
P   1
  1      0.0694000              1.0000000        
D   1
  1      0.3200000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: B
data:
BORON
S   6
  1   6250.0000000              0.0007980        
  2    916.1000000              0.0064100        
  3    202.2000000              0.0342990        
  4     55.8300000              0.1354870        
  5     17.8600000              0.3885320        
  6      6.2530000              0.5477580        
S   2
  1      6.2530000              0.2326430        
  2      2.3120000              0.7972190        
S   1
  1      0.6824000              1.0000000        
S   1
  1      0.2604000              1.0000000        
S   1
  1      0.0894000              1.0000000        
P   4
  1     15.4600000              0.0168220        
  2      3.4830000              0.1008780        
  3      1.0660000              0.3368950        
  4      0.3928000              0.6723170        
P   1
  1      0.1503000              1.0000000        
P   1
  1      0.0572200              1.0000000        
D   1
  1      0.5000000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: C
data:
CARBON
S   6
  1   9471.0000000              0.0007760        
  2   1398.0000000              0.0062180        
  3    307.5000000              0.0335750        
  4     84.5400000              0.1342780        
  5     26.9100000              0.3936680        
  6      9.4090000              0.5441690        
S   2
  1      9.4090000              0.2480750        
  2      3.5000000              0.7828440        
S   1
  1      1.0680000              1.0000000        
S   1
  1      0.4002000              1.0000000        
S   1
  1      0.1351000              1.0000000        
P   4
  1     25.3700000              0.0162950        
  2      5.7760000              0.1020980        
  3      1.7870000              0.3402280        
  4      0.6577000              0.6682690        
P   1
  1      0.2480000              1.0000000        
P   1
  1      0.0910600              1.0000000        
D   1
  1      0.7200000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: N
data:
NITROGEN
S   6
  1  13520.0000000              0.0007600        
  2   1999.0000000              0.0060760        
  3    440.0000000              0.0328470        
  4    120.9000000              0.1323960        
  5     38.4700000              0.3932610        
  6     13.4600000              0.5463390        
S   2
  1     13.4600000              0.2520360        
  2      4.9930000              0.7793850        
S   1
  1      1.5690000              1.0000000        
S   1
  1      0.5800000              1.0000000        
S   1
  1      0.1923000              1.0000000        
P   4
  1     35.9100000              0.0169160        
  2      8.4800000              0.1022000        
  3      2.7060000              0.3381340        
  4      0.9921000              0.6692810        
P   1
  1      0.3727000              1.0000000        
P   1
  1      0.1346000              1.0000000        
D   1
  1      0.9800000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: O
data:
OXYGEN
S   6
  1  18050.0000000              0.0007570        
  2   2660.0000000              0.0060660        
  3    585.7000000              0.0327820        
  4    160.9000000              0.1326090        
  5     51.1600000              0.3968390        
  6     17.9000000              0.5425720        
S   2
  1     17.9000000              0.2624900        
  2      6.6390000              0.7698280        
S   1
  1      2.0770000              1.0000000        
S   1
  1      0.7736000              1.0000000        
S   1
  1      0.2558000              1.0000000        
P   4
  1     49.8300000              0.0163580        
  2     11.4900000              0.1064530        
  3      3.6090000              0.3493020        
  4      1.3210000              0.6571830        
P   1
  1      0.4821000              1.0000000        
P   1
  1      0.1651000              1.0000000        
D   1
  1      1.2800000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: F
data:
FLUORINE
S   6
  1  23340.0000000              0.0007570        
  2   3431.0000000              0.0060810        
  3    757.7000000              0.0326360        
  4    209.2000000              0.1317040        
  5     66.7300000              0.3962400        
  6     23.3700000              0.5436720        
S   2
  1     23.3700000              0.2648930        
  2      8.6240000              0.7679250        
S   1
  1      2.6920000              1.0000000        
S   1
  1      1.0090000              1.0000000        
S   1
  1      0.3312000              1.0000000        
P   4
  1     65.6600000              0.0160370        
  2     15.2200000              0.1056970        
  3      4.7880000              0.3502270        
  4      1.7320000              0.6581950        
P   1
  1      0.6206000              1.0000000        
P   1
  1      0.2070000              1.0000000        
D   1
  1      1.6200000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: Ne
data:
NEON
S   6
  1  28660.0000000              0.0007670        
  2   4263.0000000              0.0060680        
  3    946.8000000              0.0324740        
  4    261.5000000              0.1314680        
  5     83.3400000              0.3977230        
  6     29.1700000              0.5424910        
S   2
  1     29.1700000              0.2690650        
  2     10.7600000              0.7641210        
S   1
  1      3.3430000              1.0000000        
S   1
  1      1.2410000              1.0000000        
S   1
  1      0.4063000              1.0000000        
P   4
  1     84.8400000              0.0155500        
  2     19.7100000              0.1030110        
  3      6.2190000              0.3492150        
  4      2.2110000              0.6628390        
P   1
  1      0.7853000              1.0000000        
P   1
  1      0.2566000              1.0000000        
D   1
  1      2.0000000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: Na
data:
SODIUM
S   6
  1  36166.4000000              0.0010320        
  2   5372.5800000              0.0080710        
  3   1213.2100000              0.0421290        
  4    339.6200000              0.1697890        
  5    109.5500000              0.5146210        
  6     38.7770000              0.3798170        
S   3
  1     38.7770000              0.3747620        
  2     14.5760000              0.5757690        
  3      5.2699000              0.1129330        
S   1
  1      1.8278000              1.0000000        
S   1
  1      0.6199000              1.0000000        
S   1
  1      0.0572000              1.0000000        
S   1
  1      0.0240000              1.0000000        
P   4
  1    144.6450000              0.0114850        
  2     33.9070000              0.0823830        
  3     10.6290000              0.3196580        
  4      3.8239000              0.7012950        
P   2
  1      1.4443000              0.6385060        
  2      0.5526000              0.4253650        
P   1
  1      0.1887000              1.0000000        
P   1
  1      0.0465000              1.0000000        
P   1
  1      0.0163000              1.0000000        
D   1
  1      0.1570000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: Mg
data:
MAGNESIUM
S   6
  1  43866.5000000              0.0009180        
  2   6605.3700000              0.0070470        
  3   1513.2600000              0.0359410        
  4    432.3170000              0.1414610        
  5    142.1490000              0.4267640        
  6     51.3980000              0.4979750        
S   3
  1     51.3980000              0.2513550        
  2     19.9200000              0.6186710        
  3      8.0247000              0.1884170        
S   1
  1      2.5082000              1.0000000        
S   1
  1      0.8715000              1.0000000        
S   1
  1      0.1082000              1.0000000        
S   1
  1      0.0401000              1.0000000        
P   4
  1    193.8540000              0.0101880        
  2     45.4420000              0.0753600        
  3     14.1860000              0.3074190        
  4      5.0575000              0.7175750        
P   2
  1      1.8886000              0.6673390        
  2      0.7227000              0.3946490        
P   1
  1      0.2364000              1.0000000        
P   1
  1      0.0934000              1.0000000        
P   1
  1      0.0348000              1.0000000        
D   1
  1      0.2340000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: Al
data:
ALUMINUM
S   6
  1  54866.4900000              0.0008390        
  2   8211.7700000              0.0065270        
  3   1866.1800000              0.0336660        
  4    531.1290000              0.1329020        
  5    175.1180000              0.4012660        
  6     64.0055000              0.5313380        
S   3
  1     64.0055000              0.2023050        
  2     25.2925000              0.6247900        
  3     10.5349000              0.2274390        
S   1
  1      3.2067000              1.0000000        
S   1
  1      1.1526000              1.0000000        
S   1
  1      0.1767000              1.0000000        
S   1
  1      0.0652000              1.0000000        
P   4
  1    259.2840000              0.0094480        
  2     61.0769000              0.0709740        
  3     19.3032000              0.2956360        
  4      7.0109000              0.7282190        
P   2
  1      2.6739000              0.6444670        
  2      1.0366000              0.4174130        
P   1
  1      0.3168000              1.0000000        
P   1
  1      0.1143000              1.0000000        
P   1
  1      0.0414000              1.0000000        
D   1
  1      0.3110000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: Si
data:
SILICON
S   6
  1  69379.2300000              0.0007570        
  2  10354.9400000              0.0059320        
  3   2333.8800000              0.0310880        
  4    657.1400000              0.1249670        
  5    214.3000000              0.3868970        
  6     77.6290000              0.5548880        
S   3
  1     77.6290000              0.1778810        
  2     30.6310000              0.6277650        
  3     12.8010000              0.2476230        
S   1
  1      3.9269000              1.0000000        
S   1
  1      1.4523000              1.0000000        
S   1
  1      0.2562000              1.0000000        
S   1
  1      0.0943000              1.0000000        
P   4
  1    335.4800000              0.0088660        
  2     78.9000000              0.0682990        
  3     24.9880000              0.2909580        
  4      9.2197000              0.7321160        
P   2
  1      3.6211000              0.6198790        
  2      1.4513000              0.4391480        
P   1
  1      0.5050000              1.0000000        
P   1
  1      0.1863000              1.0000000        
P   1
  1      0.0654000              1.0000000        
D   1
  1      0.3880000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: P
data:
PHOSPHOROUS
S   6
  1  77492.4300000              0.0007870        
  2  11605.7900000              0.0061070        
  3   2645.9600000              0.0313730        
  4    754.9800000              0.1242390        
  5    248.7500000              0.3808930        
  6     91.1570000              0.5598120        
S   3
  1     91.1570000              0.1639860        
  2     36.2260000              0.6259500        
  3     15.2110000              0.2621960        
S   1
  1      4.7138000              1.0000000        
S   1
  1      1.7827000              1.0000000        
S   1
  1      0.3425000              1.0000000        
S   1
  1      0.1246000              1.0000000        
P   5
  1    384.8400000              0.0032400        
  2     90.5520000              0.0249250        
  3     28.8060000              0.1056970        
  4     10.6880000              0.2632290        
  5      4.2521000              0.7190530        
P   2
  1      4.2521000             -1.6127390        
  2      1.7405000              1.2050830        
P   1
  1      0.5979000              1.0000000        
P   1
  1      0.2292000              1.0000000        
P   1
  1      0.0838000              1.0000000        
D   1
  1      0.4650000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: S
data:
SULFUR
S   6
  1  93413.4000000              0.0007420        
  2  13961.7000000              0.0057900        
  3   3169.9000000              0.0299450        
  4    902.4600000              0.1189710        
  5    297.1600000              0.3682730        
  6    108.7020000              0.5775070        
S   3
  1    108.7020000              0.1429430        
  2     43.1550000              0.6246060        
  3     18.1080000              0.2834380        
S   1
  1      5.5705000              1.0000000        
S   1
  1      2.1427000              1.0000000        
S   1
  1      0.4340000              1.0000000        
S   1
  1      0.1570000              1.0000000        
P   5
  1    495.0400000              0.0027200        
  2    117.2200000              0.0210900        
  3     37.5070000              0.0923690        
  4     13.9100000              0.2467810        
  5      5.5045000              0.7438400        
P   2
  1      5.5045000             -1.6087190        
  2      2.2433000              1.2232550        
P   1
  1      0.7762000              1.0000000        
P   1
  1      0.2919000              1.0000000        
P   1
  1      0.1029000              1.0000000        
D   1
  1      0.5420000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: Cl
data:
CHLORINE
S   6
  1 105818.8000000              0.0007430        
  2  15872.0000000              0.0057530        
  3   3619.7000000              0.0296760        
  4   1030.8000000              0.1180100        
  5    339.9100000              0.3652300        
  6    124.5380000              0.5812210        
S   3
  1    124.5380000              0.1375480        
  2     49.5140000              0.6228810        
  3     20.8060000              0.2901430        
S   1
  1      6.4648000              1.0000000        
S   1
  1      2.5254000              1.0000000        
S   1
  1      0.5378000              1.0000000        
S   1
  1      0.1935000              1.0000000        
P   5
  1    589.7800000              0.0027600        
  2    139.8500000              0.0215360        
  3     44.7950000              0.0959160        
  4     16.6120000              0.2623150        
  5      6.5995000              0.7268110        
P   2
  1      6.5995000             -1.5642940        
  2      2.7141000              1.4957780        
P   1
  1      0.9528000              1.0000000        
P   1
  1      0.3580000              1.0000000        
P   1
  1      0.1250000              1.0000000        
D   1
  1      0.6190000              1.0000000        


name: GAMESS PVTZ
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: Ar
data:
ARGON
S   6
  1 118022.4000000              0.0007470        
  2  17683.5000000              0.0057900        
  3   4027.8000000              0.0299190        
  4   1145.4000000              0.1192060        
  5    377.1600000              0.3690280        
  6    138.1600000              0.5764590        
S   3
  1    138.1600000              0.1439270        
  2     54.9890000              0.6229380        
  3     23.1710000              0.2839640        
S   1
  1      7.3779000              1.0000000        
S   1
  1      2.9237000              1.0000000        
S   1
  1      0.6504000              1.0000000        
S   1
  1      0.2328000              1.0000000        
P   5
  1    663.0600000              0.0030820        
  2    157.0900000              0.0241650        
  3     50.2310000              0.1082230        
  4     18.6350000              0.2941920        
  5      7.4465000              0.6878620        
P   2
  1      7.4465000             -1.2144820        
  2      3.0957000              1.6323700        
P   1
  1      1.1065000              1.0000000        
P   1
  1      0.4156000              1.0000000        
P   1
  1      0.1454000              1.0000000        
D   1
  1      0.6960000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: H
data:
HYDROGEN
S   3
  1     33.6400000              0.0253740        
  2      5.0580000              0.1896840        
  3      1.1470000              0.8529330        
S   1
  1      0.3211000              1.0000000        
S   1
  1      0.1013000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Be
data:
BERYLLIUM
S   6
  1   3630.0000000              0.0008390        
  2    532.3000000              0.0067350        
  3    117.8000000              0.0357260        
  4     32.6600000              0.1386350        
  5     10.4800000              0.3853990        
  6      3.6680000              0.5476880        
S   2
  1      3.6680000              0.2134060        
  2      1.3540000              0.8146920        
S   1
  1      0.3890000              1.0000000        
S   1
  1      0.1502000              1.0000000        
S   1
  1      0.0524100              1.0000000        
P   3
  1      3.2020000              0.0529120        
  2      0.6923000              0.2676590        
  3      0.2016000              0.7920850        
P   1
  1      0.1183000              1.0000000        
P   1
  1      0.0694000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: B
data:
BORON
S   6
  1   6250.0000000              0.0007980        
  2    916.1000000              0.0064100        
  3    202.2000000              0.0342990        
  4     55.8300000              0.1354870        
  5     17.8600000              0.3885320        
  6      6.2530000              0.5477580        
S   2
  1      6.2530000              0.2326430        
  2      2.3120000              0.7972190        
S   1
  1      0.6824000              1.0000000        
S   1
  1      0.2604000              1.0000000        
S   1
  1      0.0894000              1.0000000        
P   4
  1     15.4600000              0.0168220        
  2      3.4830000              0.1008780        
  3      1.0660000              0.3368950        
  4      0.3928000              0.6723170        
P   1
  1      0.1503000              1.0000000        
P   1
  1      0.0572200              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: C
data:
CARBON
S   6
  1   9471.0000000              0.0007760        
  2   1398.0000000              0.0062180        
  3    307.5000000              0.0335750        
  4     84.5400000              0.1342780        
  5     26.9100000              0.3936680        
  6      9.4090000              0.5441690        
S   2
  1      9.4090000              0.2480750        
  2      3.5000000              0.7828440        
S   1
  1      1.0680000              1.0000000        
S   1
  1      0.4002000              1.0000000        
S   1
  1      0.1351000              1.0000000        
P   4
  1     25.3700000              0.0162950        
  2      5.7760000              0.1020980        
  3      1.7870000              0.3402280        
  4      0.6577000              0.6682690        
P   1
  1      0.2480000              1.0000000        
P   1
  1      0.0910600              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: N
data:
NITROGEN
S   6
  1  13520.0000000              0.0007600        
  2   1999.0000000              0.0060760        
  3    440.0000000              0.0328470        
  4    120.9000000              0.1323960        
  5     38.4700000              0.3932610        
  6     13.4600000              0.5463390        
S   2
  1     13.4600000              0.2520360        
  2      4.9930000              0.7793850        
S   1
  1      1.5690000              1.0000000        
S   1
  1      0.5800000              1.0000000        
S   1
  1      0.1923000              1.0000000        
P   4
  1     35.9100000              0.0169160        
  2      8.4800000              0.1022000        
  3      2.7060000              0.3381340        
  4      0.9921000              0.6692810        
P   1
  1      0.3727000              1.0000000        
P   1
  1      0.1346000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: O
data:
OXYGEN
S   6
  1  18050.0000000              0.0007570        
  2   2660.0000000              0.0060660        
  3    585.7000000              0.0327820        
  4    160.9000000              0.1326090        
  5     51.1600000              0.3968390        
  6     17.9000000              0.5425720        
S   2
  1     17.9000000              0.2624900        
  2      6.6390000              0.7698280        
S   1
  1      2.0770000              1.0000000        
S   1
  1      0.7736000              1.0000000        
S   1
  1      0.2558000              1.0000000        
P   4
  1     49.8300000              0.0163580        
  2     11.4900000              0.1064530        
  3      3.6090000              0.3493020        
  4      1.3210000              0.6571830        
P   1
  1      0.4821000              1.0000000        
P   1
  1      0.1651000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: F
data:
FLUORINE
S   6
  1  23340.0000000              0.0007570        
  2   3431.0000000              0.0060810        
  3    757.7000000              0.0326360        
  4    209.2000000              0.1317040        
  5     66.7300000              0.3962400        
  6     23.3700000              0.5436720        
S   2
  1     23.3700000              0.2648930        
  2      8.6240000              0.7679250        
S   1
  1      2.6920000              1.0000000        
S   1
  1      1.0090000              1.0000000        
S   1
  1      0.3312000              1.0000000        
P   4
  1     65.6600000              0.0160370        
  2     15.2200000              0.1056970        
  3      4.7880000              0.3502270        
  4      1.7320000              0.6581950        
P   1
  1      0.6206000              1.0000000        
P   1
  1      0.2070000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Ne
data:
NEON
S   6
  1  28660.0000000              0.0007670        
  2   4263.0000000              0.0060680        
  3    946.8000000              0.0324740        
  4    261.5000000              0.1314680        
  5     83.3400000              0.3977230        
  6     29.1700000              0.5424910        
S   2
  1     29.1700000              0.2690650        
  2     10.7600000              0.7641210        
S   1
  1      3.3430000              1.0000000        
S   1
  1      1.2410000              1.0000000        
S   1
  1      0.4063000              1.0000000        
P   4
  1     84.8400000              0.0155500        
  2     19.7100000              0.1030110        
  3      6.2190000              0.3492150        
  4      2.2110000              0.6628390        
P   1
  1      0.7853000              1.0000000        
P   1
  1      0.2566000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Na
data:
SODIUM
S   6
  1  36166.4000000              0.0010320        
  2   5372.5800000              0.0080710        
  3   1213.2100000              0.0421290        
  4    339.6200000              0.1697890        
  5    109.5500000              0.5146210        
  6     38.7770000              0.3798170        
S   3
  1     38.7770000              0.3747620        
  2     14.5760000              0.5757690        
  3      5.2699000              0.1129330        
S   1
  1      1.8278000              1.0000000        
S   1
  1      0.6199000              1.0000000        
S   1
  1      0.0572000              1.0000000        
S   1
  1      0.0240000              1.0000000        
P   4
  1    144.6450000              0.0114850        
  2     33.9070000              0.0823830        
  3     10.6290000              0.3196580        
  4      3.8239000              0.7012950        
P   2
  1      1.4443000              0.6385060        
  2      0.5526000              0.4253650        
P   1
  1      0.1887000              1.0000000        
P   1
  1      0.0465000              1.0000000        
P   1
  1      0.0163000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Mg
data:
MAGNESIUM
S   6
  1  43866.5000000              0.0009180        
  2   6605.3700000              0.0070470        
  3   1513.2600000              0.0359410        
  4    432.3170000              0.1414610        
  5    142.1490000              0.4267640        
  6     51.3980000              0.4979750        
S   3
  1     51.3980000              0.2513550        
  2     19.9200000              0.6186710        
  3      8.0247000              0.1884170        
S   1
  1      2.5082000              1.0000000        
S   1
  1      0.8715000              1.0000000        
S   1
  1      0.1082000              1.0000000        
S   1
  1      0.0401000              1.0000000        
P   4
  1    193.8540000              0.0101880        
  2     45.4420000              0.0753600        
  3     14.1860000              0.3074190        
  4      5.0575000              0.7175750        
P   2
  1      1.8886000              0.6673390        
  2      0.7227000              0.3946490        
P   1
  1      0.2364000              1.0000000        
P   1
  1      0.0934000              1.0000000        
P   1
  1      0.0348000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Al
data:
ALUMINUM
S   6
  1  54866.4900000              0.0008390        
  2   8211.7700000              0.0065270        
  3   1866.1800000              0.0336660        
  4    531.1290000              0.1329020        
  5    175.1180000              0.4012660        
  6     64.0055000              0.5313380        
S   3
  1     64.0055000              0.2023050        
  2     25.2925000              0.6247900        
  3     10.5349000              0.2274390        
S   1
  1      3.2067000              1.0000000        
S   1
  1      1.1526000              1.0000000        
S   1
  1      0.1767000              1.0000000        
S   1
  1      0.0652000              1.0000000        
P   4
  1    259.2840000              0.0094480        
  2     61.0769000              0.0709740        
  3     19.3032000              0.2956360        
  4      7.0109000              0.7282190        
P   2
  1      2.6739000              0.6444670        
  2      1.0366000              0.4174130        
P   1
  1      0.3168000              1.0000000        
P   1
  1      0.1143000              1.0000000        
P   1
  1      0.0414000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Si
data:
SILICON
S   6
  1  69379.2300000              0.0007570        
  2  10354.9400000              0.0059320        
  3   2333.8800000              0.0310880        
  4    657.1400000              0.1249670        
  5    214.3000000              0.3868970        
  6     77.6290000              0.5548880        
S   3
  1     77.6290000              0.1778810        
  2     30.6310000              0.6277650        
  3     12.8010000              0.2476230        
S   1
  1      3.9269000              1.0000000        
S   1
  1      1.4523000              1.0000000        
S   1
  1      0.2562000              1.0000000        
S   1
  1      0.0943000              1.0000000        
P   4
  1    335.4800000              0.0088660        
  2     78.9000000              0.0682990        
  3     24.9880000              0.2909580        
  4      9.2197000              0.7321160        
P   2
  1      3.6211000              0.6198790        
  2      1.4513000              0.4391480        
P   1
  1      0.5050000              1.0000000        
P   1
  1      0.1863000              1.0000000        
P   1
  1      0.0654000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: P
data:
PHOSPHOROUS
S   6
  1  77492.4300000              0.0007870        
  2  11605.7900000              0.0061070        
  3   2645.9600000              0.0313730        
  4    754.9800000              0.1242390        
  5    248.7500000              0.3808930        
  6     91.1570000              0.5598120        
S   3
  1     91.1570000              0.1639860        
  2     36.2260000              0.6259500        
  3     15.2110000              0.2621960        
S   1
  1      4.7138000              1.0000000        
S   1
  1      1.7827000              1.0000000        
S   1
  1      0.3425000              1.0000000        
S   1
  1      0.1246000              1.0000000        
P   5
  1    384.8400000              0.0032400        
  2     90.5520000              0.0249250        
  3     28.8060000              0.1056970        
  4     10.6880000              0.2632290        
  5      4.2521000              0.7190530        
P   2
  1      4.2521000             -1.6127390        
  2      1.7405000              1.2050830        
P   1
  1      0.5979000              1.0000000        
P   1
  1      0.2292000              1.0000000        
P   1
  1      0.0838000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: S
data:
SULFUR
S   6
  1  93413.4000000              0.0007420        
  2  13961.7000000              0.0057900        
  3   3169.9000000              0.0299450        
  4    902.4600000              0.1189710        
  5    297.1600000              0.3682730        
  6    108.7020000              0.5775070        
S   3
  1    108.7020000              0.1429430        
  2     43.1550000              0.6246060        
  3     18.1080000              0.2834380        
S   1
  1      5.5705000              1.0000000        
S   1
  1      2.1427000              1.0000000        
S   1
  1      0.4340000              1.0000000        
S   1
  1      0.1570000              1.0000000        
P   5
  1    495.0400000              0.0027200        
  2    117.2200000              0.0210900        
  3     37.5070000              0.0923690        
  4     13.9100000              0.2467810        
  5      5.5045000              0.7438400        
P   2
  1      5.5045000             -1.6087190        
  2      2.2433000              1.2232550        
P   1
  1      0.7762000              1.0000000        
P   1
  1      0.2919000              1.0000000        
P   1
  1      0.1029000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Cl
data:
CHLORINE
S   6
  1 105818.8000000              0.0007430        
  2  15872.0000000              0.0057530        
  3   3619.7000000              0.0296760        
  4   1030.8000000              0.1180100        
  5    339.9100000              0.3652300        
  6    124.5380000              0.5812210        
S   3
  1    124.5380000              0.1375480        
  2     49.5140000              0.6228810        
  3     20.8060000              0.2901430        
S   1
  1      6.4648000              1.0000000        
S   1
  1      2.5254000              1.0000000        
S   1
  1      0.5378000              1.0000000        
S   1
  1      0.1935000              1.0000000        
P   5
  1    589.7800000              0.0027600        
  2    139.8500000              0.0215360        
  3     44.7950000              0.0959160        
  4     16.6120000              0.2623150        
  5      6.5995000              0.7268110        
P   2
  1      6.5995000             -1.5642940        
  2      2.7141000              1.4957780        
P   1
  1      0.9528000              1.0000000        
P   1
  1      0.3580000              1.0000000        
P   1
  1      0.1250000              1.0000000        


name: GAMESS VTZ
description: VTZ Valence Triple Zeta: 3 Funct.'s/Valence AO
elt: Ar
data:
ARGON
S   6
  1 118022.4000000              0.0007470        
  2  17683.5000000              0.0057900        
  3   4027.8000000              0.0299190        
  4   1145.4000000              0.1192060        
  5    377.1600000              0.3690280        
  6    138.1600000              0.5764590        
S   3
  1    138.1600000              0.1439270        
  2     54.9890000              0.6229380        
  3     23.1710000              0.2839640        
S   1
  1      7.3779000              1.0000000        
S   1
  1      2.9237000              1.0000000        
S   1
  1      0.6504000              1.0000000        
S   1
  1      0.2328000              1.0000000        
P   5
  1    663.0600000              0.0030820        
  2    157.0900000              0.0241650        
  3     50.2310000              0.1082230        
  4     18.6350000              0.2941920        
  5      7.4465000              0.6878620        
P   2
  1      7.4465000             -1.2144820        
  2      3.0957000              1.6323700        
P   1
  1      1.1065000              1.0000000        
P   1
  1      0.4156000              1.0000000        
P   1
  1      0.1454000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: K
data:
POTASSIUM
S   5
  1      3.0720000             -0.3084300        
  2      0.6752000              0.7823840        
  3      0.2545000              0.4144540        
  4      0.0529000             -0.0024350        
  5      0.0209000              0.0029250        
S   5
  1      3.0720000              0.0688870        
  2      0.6752000             -0.1990260        
  3      0.2545000             -0.2755520        
  4      0.0529000              0.3619550        
  5      0.0209000              0.7781790        
P   5
  1      8.2330000             -0.0417380        
  2      0.9526000              0.5741890        
  3      0.3013000              0.5202960        
  4      0.0376000              0.0308220        
  5      0.0140000             -0.0116170        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Ca
data:
CALCIUM
S   5
  1      3.4840000             -0.3418550        
  2      0.8551000              0.7774450        
  3      0.3192000              0.4718150        
  4      0.1447000             -0.0349290        
  5      0.0350000              0.0072470        
S   5
  1      3.4840000              0.0974140        
  2      0.8551000             -0.2556490        
  3      0.3192000             -0.4481070        
  4      0.1447000              0.3831930        
  5      0.0350000              0.9174500        
P   5
  1      9.4200000             -0.0434920        
  2      1.1500000              0.6006810        
  3      0.3688000              0.4938140        
  4      0.0705000              0.0144270        
  5      0.0263000             -0.0004320        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Sc
data:
SCANDIUM
S   5
  1      3.7170000             -0.3914030        
  2      1.0970000              0.7125020        
  3      0.4164000              0.5492200        
  4      0.0761000              0.0062150        
  5      0.0284000             -0.0005830        
S   5
  1      3.7170000              0.1039960        
  2      1.0970000             -0.2151460        
  3      0.4164000             -0.3283540        
  4      0.0761000              0.5328950        
  5      0.0284000              0.6274410        
P   5
  1     10.4000000             -0.0490370        
  2      1.3110000              0.6048730        
  3      0.4266000              0.4898770        
  4      0.0470000              0.0217070        
  5      0.0140000             -0.0071310        
D   5
  1     15.1300000              0.0313120        
  2      4.2050000              0.1435110        
  3      1.3030000              0.3523500        
  4      0.3680000              0.5150240        
  5      0.0812000              0.3777680        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Ti
data:
TITANIUM
S   5
  1      4.3720000             -0.3634390        
  2      1.0980000              0.8178440        
  3      0.4178000              0.4181410        
  4      0.0872000              0.0010670        
  5      0.0314000              0.0006310        
S   5
  1      4.3720000              0.0962350        
  2      1.0980000             -0.2618550        
  3      0.4178000             -0.2768010        
  4      0.0872000              0.5378380        
  5      0.0314000              0.6308820        
P   5
  1     12.5200000             -0.0455280        
  2      1.4910000              0.6181270        
  3      0.4859000              0.4748400        
  4      0.0530000              0.0208020        
  5      0.0160000             -0.0070080        
D   5
  1     20.2100000              0.0287260        
  2      5.4950000              0.1437650        
  3      1.6990000              0.3704110        
  4      0.4840000              0.5140400        
  5      0.1157000              0.3426600        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: V
data:
VANADIUM
S   5
  1      4.5900000             -0.4253050        
  2      1.4930000              0.7029610        
  3      0.5570000              0.5862380        
  4      0.0975000              0.0119350        
  5      0.0342000             -0.0020890        
S   5
  1      4.5900000              0.1122370        
  2      1.4930000             -0.2108140        
  3      0.5570000             -0.3199350        
  4      0.0975000              0.4939230        
  5      0.0342000              0.6582130        
P   5
  1     13.7600000             -0.0480550        
  2      1.7120000              0.6118730        
  3      0.5587000              0.4820670        
  4      0.0590000              0.0219720        
  5      0.0180000             -0.0076780        
D   5
  1     25.7000000              0.0278370        
  2      6.5300000              0.1510070        
  3      2.0780000              0.3677360        
  4      0.6243000              0.5032740        
  5      0.1542000              0.3381290        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Cr
data:
CHROMIUM
S   5
  1      5.3610000             -0.3796040        
  2      1.4490000              0.7775860        
  3      0.5496000              0.4718780        
  4      0.1052000              0.0044600        
  5      0.0364000              0.0007640        
S   5
  1      5.3610000              0.0989660        
  2      1.4490000             -0.2436230        
  3      0.5496000             -0.2716690        
  4      0.1052000              0.5002680        
  5      0.0364000              0.6546470        
P   5
  1     16.4200000             -0.0459780        
  2      1.9140000              0.6088490        
  3      0.6241000              0.4842550        
  4      0.0630000              0.0220860        
  5      0.0190000             -0.0078720        
D   5
  1     28.9500000              0.0286290        
  2      7.7080000              0.1508900        
  3      2.4950000              0.3703730        
  4      0.7655000              0.5035880        
  5      0.1889000              0.3280140        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Mn
data:
MANGANESE
S   5
  1      5.9140000             -0.3745410        
  2      1.6050000              0.7685600        
  3      0.6260000              0.4745150        
  4      0.1115000              0.0107860        
  5      0.0380000             -0.0015500        
S   5
  1      5.9140000              0.0943440        
  2      1.6050000             -0.2313900        
  3      0.6260000             -0.2606820        
  4      0.1115000              0.4897050        
  5      0.0380000              0.6559950        
P   5
  1     18.2000000             -0.0446500        
  2      2.1410000              0.6240730        
  3      0.7009000              0.4681640        
  4      0.0690000              0.0206100        
  5      0.0210000             -0.0074930        
D   5
  1     32.2700000              0.0289550        
  2      8.8750000              0.1492850        
  3      2.8900000              0.3724950        
  4      0.8761000              0.5037980        
  5      0.2120000             -0.3312440        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Fe
data:
IRON
S   3
  1      6.4220000             -0.3927882        
  2      1.8260000              0.7712643        
  3      0.7135000              0.4920228        
S   4
  1      6.4220000              0.1786877        
  2      1.8260000             -0.4194032        
  3      0.7135000             -0.4568185        
  4      0.1021000              1.1035048        
S   1
  1      0.0363000              1.0000000        
P   3
  1     19.4800000             -0.0470282        
  2      2.3890000              0.6248841        
  3      0.7795000              0.4722542        
P   1
  1      0.0740000              1.0000000        
P   1
  1      0.0220000              1.0000000        
D   4
  1     37.0800000              0.0329000        
  2     10.1000000              0.1787418        
  3      3.2200000              0.4487657        
  4      0.9628000              0.5876361        
D   1
  1      0.2262000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Co
data:
COBALT
S   3
  1      7.1760000             -0.3856734        
  2      2.0090000              0.7453116        
  3      0.8055000              0.5091819        
S   4
  1      7.1760000              0.1736161        
  2      2.0090000             -0.3970442        
  3      0.8055000             -0.4630622        
  4      0.1070000              1.0899654        
S   1
  1      0.0375000              1.0000000        
P   3
  1     21.3900000             -0.0480413        
  2      2.6500000              0.6222337        
  3      0.8619000              0.4758042        
P   1
  1      0.0800000              1.0000000        
P   1
  1      0.0230000              1.0000000        
D   4
  1     39.2500000              0.0361541        
  2     10.7800000              0.1896744        
  3      3.4960000              0.4524981        
  4      1.0660000              0.5710427        
D   1
  1      0.2606000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Ni
data:
NICKEL
S   3
  1      7.6200000             -0.4082550        
  2      2.2940000              0.7455308        
  3      0.8760000              0.5325721        
S   4
  1      7.6200000              0.1872591        
  2      2.2940000             -0.3966964        
  3      0.8760000             -0.4954003        
  4      0.1153000              1.0844343        
S   1
  1      0.0396000              1.0000000        
P   3
  1     23.6600000             -0.0481558        
  2      2.8930000              0.6258473        
  3      0.9435000              0.4715158        
P   1
  1      0.0840000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   4
  1     42.7200000              0.0372699        
  2     11.7600000              0.1956103        
  3      3.8170000              0.4561273        
  4      1.1690000              0.5621587        
D   1
  1      0.2836000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Cu
data:
COPPER
S   3
  1      8.1760000             -0.4210260        
  2      2.5680000              0.7385924        
  3      0.9587000              0.5525692        
S   4
  1      8.1760000              0.1787665        
  2      2.5680000             -0.3592273        
  3      0.9587000             -0.4704825        
  4      0.1153000              1.0807407        
S   1
  1      0.0396000              1.0000000        
P   3
  1     25.6300000             -0.0489173        
  2      3.1660000              0.6272854        
  3      1.0230000              0.4716188        
P   1
  1      0.0860000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   4
  1     41.3400000              0.0465424        
  2     11.4200000              0.2227824        
  3      3.8390000              0.4539059        
  4      1.2300000              0.5314769        
D   1
  1      0.3102000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Rb
data:
RUBIDIUM
S   3
  1      1.4570000             -1.0617406        
  2      0.9400000              1.1722125        
  3      0.2706000              0.7437008        
S   4
  1      1.4570000              0.5052174        
  2      0.9400000             -0.5718404        
  3      0.2706000             -0.6835308        
  4      0.0366000              1.1136477        
S   1
  1      0.0155000              1.0000000        
P   3
  1      3.3000000             -0.0729417        
  2      0.5985000              0.6321782        
  3      0.2067000              0.4707426        
P   2
  1      0.1947000             -0.1250552        
  2      0.0318000              1.0438206        
P   1
  1      0.0124000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Sr
data:
STRONTIUM
S   5
  1      1.6480000             -0.9597960        
  2      1.0030000              1.0959010        
  3      0.3106000              0.7262240        
  4      0.1099000             -0.0147290        
  5      0.0292000              0.0082990        
S   5
  1      1.6480000              0.3193110        
  2      1.0030000             -0.3806250        
  3      0.3106000             -0.5262340        
  4      0.1099000              0.3650040        
  5      0.0292000              0.8976400        
P   5
  1      3.5520000             -0.0882600        
  2      0.6975000              0.6632840        
  3      0.2480000              0.4371580        
  4      0.0570000              0.0111860        
  5      0.0222000              0.0011910        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Y
data:
YTTRIUM
S   3
  1      1.7510000             -1.1617905        
  2      1.1430000              1.2958877        
  3      0.3581000              0.7115125        
S   4
  1      1.7510000              0.9683123        
  2      1.1430000             -1.1346367        
  3      0.3581000             -1.1914054        
  4      0.1058000              0.9281063        
S   1
  1      0.0318000              1.0000000        
P   3
  1      3.8840000             -0.0820601        
  2      0.7660000              0.6756413        
  3      0.2890000              0.4195482        
P   2
  1      0.2896000             -0.1501080        
  2      0.0629000              1.0686926        
P   1
  1      0.0223000              1.0000000        
D   3
  1      1.5230000              0.1074843        
  2      0.5634000              0.4563954        
  3      0.1834000              0.6039855        
D   1
  1      0.0569000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Zr
data:
ZIRCONIUM
S   3
  1      1.9760000             -0.9206745        
  2      1.1540000              1.0929033        
  3      0.3910000              0.6795621        
S   4
  1      1.9760000              0.7506060        
  2      1.1540000             -0.9810826        
  3      0.3910000             -1.0225151        
  4      0.1001000              1.0860038        
S   1
  1      0.0334000              1.0000000        
P   3
  1      4.1920000             -0.0942554        
  2      0.8764000              0.6783675        
  3      0.3263000              0.4246618        
P   2
  1      0.2972000             -0.1527401        
  2      0.0724000              1.0777185        
P   1
  1      0.0243000              1.0000000        
D   3
  1      2.2690000              0.0599741        
  2      0.7855000              0.4734158        
  3      0.2615000              0.6117178        
D   1
  1      0.0802000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Nb
data:
NIOBIUM
S   3
  1      2.1820000             -0.8846144        
  2      1.2090000              1.1033775        
  3      0.4165000              0.6298776        
S   4
  1      2.1820000              0.7790287        
  2      1.2090000             -1.0752788        
  3      0.4165000             -1.1506014        
  4      0.1454000              0.9969155        
S   1
  1      0.0392000              1.0000000        
P   3
  1      4.5190000             -0.0817303        
  2      0.9406000              0.6995115        
  3      0.3492000              0.3980996        
P   2
  1      0.4106000             -0.1212176        
  2      0.0752000              1.0480477        
P   1
  1      0.0247000              1.0000000        
D   3
  1      3.4660000              0.0315983        
  2      0.9938000              0.4834306        
  3      0.3350000              0.6164893        
D   1
  1      0.1024000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Mo
data:
MOLYBDENUM
S   3
  1      2.3610000             -0.9121760        
  2      1.3090000              1.1477453        
  3      0.4500000              0.6097109        
S   4
  1      2.3610000              0.8139259        
  2      1.3090000             -1.1360084        
  3      0.4500000             -1.1611592        
  4      0.1681000              1.0064786        
S   1
  1      0.0423000              1.0000000        
P   3
  1      4.8950000             -0.0908258        
  2      1.0440000              0.7042899        
  3      0.3877000              0.3973179        
P   2
  1      0.4995000             -0.1081945        
  2      0.0780000              1.0368093        
P   1
  1      0.0247000              1.0000000        
D   3
  1      2.9930000              0.0527063        
  2      1.0630000              0.5003907        
  3      0.3721000              0.5794024        
D   1
  1      0.1178000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Tc
data:
TECHNETIUM
S   3
  1      2.3420000             -1.4911782        
  2      1.6340000              1.6749043        
  3      0.5094000              0.6573006        
S   4
  1      2.3420000              1.3523997        
  2      1.6340000             -1.6216301        
  3      0.5094000             -1.1463770        
  4      0.1706000              0.9859190        
S   1
  1      0.0435000              1.0000000        
P   3
  1      5.2780000             -0.0995419        
  2      1.1560000              0.7081544        
  3      0.4302000              0.3973571        
P   2
  1      0.4767000             -0.0973127        
  2      0.0895000              1.0404862        
P   1
  1      0.0246000              1.0000000        
D   3
  1      4.6320000              0.0268724        
  2      1.2790000              0.5073089        
  3      0.4425000              0.5911381        
D   1
  1      0.1364000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Ru
data:
RUTHENIUM
S   3
  1      2.5650000             -1.0431056        
  2      1.5080000              1.3314786        
  3      0.5129000              0.5613065        
S   4
  1      2.5650000              0.8770128        
  2      1.5080000             -1.2634660        
  3      0.5129000             -0.8384987        
  4      0.1362000              1.0637773        
S   1
  1      0.0417000              1.0000000        
P   3
  1      4.8590000             -0.0945755        
  2      1.2190000              0.7434798        
  3      0.4413000              0.3668144        
P   2
  1      0.5725000             -0.0880864        
  2      0.0830000              1.0283970        
P   1
  1      0.0250000              1.0000000        
D   3
  1      4.1950000              0.0485729        
  2      1.3770000              0.5105223        
  3      0.4828000              0.5730028        
D   1
  1      0.1501000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Rh
data:
RHODIUM
S   3
  1      2.6460000             -1.3554084        
  2      1.7510000              1.6112233        
  3      0.5713000              0.5893814        
S   4
  1      2.6460000              1.1472137        
  2      1.7510000             -1.4943525        
  3      0.5713000             -0.8589704        
  4      0.1438000              1.0297241        
S   1
  1      0.0428000              1.0000000        
P   3
  1      5.4400000             -0.0987699        
  2      1.3290000              0.7433595        
  3      0.4845000              0.3668462        
P   2
  1      0.6595000             -0.0838056        
  2      0.0869000              1.0244841        
P   1
  1      0.0257000              1.0000000        
D   3
  1      3.6690000              0.0760059        
  2      1.4230000              0.5158852        
  3      0.5091000              0.5436585        
D   1
  1      0.1610000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Pd
data:
PALLADIUM
S   3
  1      2.7870000             -1.6102393        
  2      1.9650000              1.8489842        
  3      0.6243000              0.6037492        
S   4
  1      2.7870000              1.3540775        
  2      1.9650000             -1.6780848        
  3      0.6243000             -0.8559381        
  4      0.1496000              1.0200299        
S   1
  1      0.0436000              1.0000000        
P   3
  1      5.9990000             -0.1034910        
  2      1.4430000              0.7456952        
  3      0.5264000              0.3656494        
P   2
  1      0.7368000              0.0763285        
  2      0.0899000              0.9740065        
P   1
  1      0.0262000              1.0000000        
D   3
  1      6.0910000              0.0376146        
  2      1.7190000              0.5200479        
  3      0.6056000              0.5706071        
D   1
  1      0.1883000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Ag
data:
SILVER
S   3
  1      2.9500000             -1.7910564        
  2      2.1490000              2.0244570        
  3      0.6684000              0.6072839        
S   4
  1      2.9500000              1.0141125        
  2      2.1490000             -1.2413971        
  3      0.6684000             -1.2413971        
  4      0.0997000              1.1128375        
S   1
  1      0.0347000              1.0000000        
P   3
  1      6.5530000             -0.1079117        
  2      1.5650000              0.7403645        
  3      0.5748000              0.3721008        
P   2
  1      0.9085000             -0.0418371        
  2      0.0833000              1.0087586        
P   1
  1      0.0252000              1.0000000        
D   3
  1      3.3910000              0.1396938        
  2      1.5990000              0.4744421        
  3      0.6282000              0.5156311        
D   1
  1      0.2108000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Cs
data:
CESIUM
S   3
  1      0.8709000             -1.1604798        
  2      0.5393000              1.4198515        
  3      0.1724000              0.5872905        
S   4
  1      0.8709000              0.8237727        
  2      0.5393000             -1.0709181        
  3      0.1724000             -0.9085122        
  4      0.0393000              1.0774049        
S   1
  1      0.0151000              1.0000000        
P   3
  1      1.4680000             -0.1321033        
  2      0.4134000              0.6572410        
  3      0.1536000              0.4756456        
P   2
  1      0.1458000             -0.1680556        
  2      0.0279000              1.0665746        
P   1
  1      0.0113000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Ba
data:
BARIUM
S   3
  1      0.8699000             -2.2549747        
  2      0.6676000              2.5145786        
  3      0.1982000              0.5775184        
S   4
  1      0.8699000              2.0391383        
  2      0.6676000             -2.3717712        
  3      0.1982000             -1.2758006        
  4      0.0823000              1.1703346        
S   1
  1      0.0231000              1.0000000        
P   3
  1      1.6050000             -0.1626403        
  2      0.4790000              0.6971289        
  3      0.1818000              0.4505107        
P   2
  1      0.1804000             -0.2642537        
  2      0.0476000              1.1347212        
P   1
  1      0.0192000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: La
data:
LANTHANUM
S   3
  1      0.9167000             -3.0240751        
  2      0.7427000              3.2971476        
  3      0.2237000              0.5513542        
S   4
  1      0.9167000              2.6910243        
  2      0.7427000             -3.0474363        
  3      0.2237000             -1.1030211        
  4      0.0792000              1.1941863        
S   1
  1      0.0239000              1.0000000        
P   3
  1      1.5540000             -0.1817168        
  2      0.5622000              0.6632226        
  3      0.2239000              0.5029782        
P   2
  1      0.2125000             -0.1968810        
  2      0.0483000              1.0907542        
P   1
  1      0.0179000              1.0000000        
D   2
  1      0.4524000              0.4468051        
  2      0.1602000              0.6543493        
D   1
  1      0.0531000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Hf
data:
HAFNIUM
S   3
  1      1.9500000             -1.2260850        
  2      1.1830000              1.5695074        
  3      0.3897000              0.4933412        
S   4
  1      1.9500000              1.0778382        
  2      1.1830000             -1.5010862        
  3      0.3897000             -1.1982175        
  4      0.1656000              1.2290296        
S   1
  1      0.0424000              1.0000000        
P   3
  1      1.9720000             -0.6323467        
  2      1.3540000              1.0465162        
  3      0.4134000              0.5801670        
P   2
  1      0.3427000             -0.1739178        
  2      0.0804000              1.0841644        
P   1
  1      0.0274000              1.0000000        
D   2
  1      0.8226000              0.4490405        
  2      0.2585000              0.6723891        
D   1
  1      0.0762000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Ta
data:
TANTALUM
S   3
  1      2.0440000             -1.3104779        
  2      1.2670000              1.6579925        
  3      0.4157000              0.4848337        
S   4
  1      2.0440000              1.1897315        
  2      1.2670000             -1.6650462        
  3      0.4157000             -1.0563335        
  4      0.1671000              1.1840652        
S   1
  1      0.0482000              1.0000000        
P   3
  1      2.5650000             -0.2917238        
  2      1.2290000              0.7570649        
  3      0.4244000              0.5240081        
P   2
  1      0.4360000             -0.1513014        
  2      0.0840000              1.0613123        
P   1
  1      0.0280000              1.0000000        
D   2
  1      0.8948000              0.4731072        
  2      0.2989000              0.6399200        
D   1
  1      0.0935000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: W
data:
TUNGSTEN
S   3
  1      2.1370000             -1.3916151        
  2      1.3470000              1.7510261        
  3      0.4366000              0.4694647        
S   4
  1      2.1370000              1.2985088        
  2      1.3470000             -1.8102429        
  3      0.4366000             -1.0844531        
  4      0.1883000              1.2580618        
S   1
  1      0.0518000              1.0000000        
P   3
  1      3.0050000             -0.2405563        
  2      1.2280000              0.7364092        
  3      0.4415000              0.4881487        
P   2
  1      0.4010000             -0.1497499        
  2      0.0900000              1.0707463        
P   1
  1      0.0280000              1.0000000        
D   2
  1      0.9519000              0.4985265        
  2      0.3270000              0.6111110        
D   1
  1      0.1054000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Re
data:
RHENIUM
S   3
  1      2.1850000             -1.6223730        
  2      1.4510000              1.9938647        
  3      0.4585000              0.4531166        
S   4
  1      2.1850000              1.5459752        
  2      1.4510000             -2.0758927        
  3      0.4585000             -1.1922396        
  4      0.2314000              1.2272864        
S   1
  1      0.0566000              1.0000000        
P   3
  1      3.3580000             -0.2318667        
  2      1.2710000              0.7458683        
  3      0.4644000              0.4632686        
P   2
  1      0.4960000             -0.1311370        
  2      0.0890000              1.0503671        
P   1
  1      0.0280000              1.0000000        
D   2
  1      1.1160000              0.4689888        
  2      0.4267000              0.6209591        
D   1
  1      0.1378000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Os
data:
OSMIUM
S   3
  1      2.2220000             -1.6538036        
  2      1.4960000              2.0670297        
  3      0.4774000              0.4232017        
S   4
  1      2.2220000              1.6046968        
  2      1.4960000             -2.2120386        
  3      0.4774000             -1.1301209        
  4      0.2437000              1.2654553        
S   1
  1      0.0583000              1.0000000        
P   3
  1      2.5180000             -0.4177345        
  2      1.4600000              0.9434947        
  3      0.4923000              0.4672976        
P   2
  1      0.5100000             -0.1490279        
  2      0.0980000              1.0603616        
P   1
  1      0.0290000              1.0000000        
D   2
  1      1.1830000              0.4838470        
  2      0.4492000              0.6079573        
D   1
  1      0.1463000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Ir
data:
IRIDIUM
S   3
  1      2.3500000             -1.6784642        
  2      1.5820000              2.0952553        
  3      0.5018000              0.4162934        
S   4
  1      2.3500000              1.6464467        
  2      1.5820000             -2.2748150        
  3      0.5018000             -1.0494357        
  4      0.2500000              1.2167791        
S   1
  1      0.0598000              1.0000000        
P   3
  1      2.7920000             -0.3889212        
  2      1.5410000              0.9077516        
  3      0.5285000              0.4691443        
P   2
  1      0.5100000             -0.1170669        
  2      0.0980000              1.0489002        
P   1
  1      0.0290000              1.0000000        
D   2
  1      1.2400000              0.5087022        
  2      0.4647000              0.5862102        
D   1
  1      0.1529000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Pt
data:
PLATINUM
S   3
  1      2.5470000             -1.4739175        
  2      1.6140000              1.9115719        
  3      0.5167000              0.3922319        
S   4
  1      2.5470000              1.4388166        
  2      1.6140000             -2.0911821        
  3      0.5167000             -1.0921315        
  4      0.2651000              1.3426596        
S   1
  1      0.0580000              1.0000000        
P   3
  1      2.9110000             -0.5247438        
  2      1.8360000              0.9671884        
  3      0.5982000              0.5438632        
P   2
  1      0.6048000             -0.1061438        
  2      0.0996000              1.0383102        
P   1
  1      0.0290000              1.0000000        
D   2
  1      1.2430000              0.5598150        
  2      0.4271000              0.5511090        
D   1
  1      0.1370000              1.0000000        


name: Hay-Wadt MB (n+1) ECP
description: MB Minimal Basis Set designed for an ECP
elt: Au
data:
GOLD
S   3
  1      2.8090000             -1.2021556        
  2      1.5950000              1.6741578        
  3      0.5327000              0.3526593        
S   4
  1      2.8090000              1.1608481        
  2      1.5950000             -1.8642846        
  3      0.5327000             -1.0356230        
  4      0.2826000              1.3064399        
S   1
  1      0.0598000              1.0000000        
P   3
  1      3.6840000             -0.2802681        
  2      1.6660000              0.7818398        
  3      0.5989000              0.4804776        
P   2
  1      0.6838000             -0.0952078        
  2      0.0977000              1.0299147        
P   1
  1      0.0279000              1.0000000        
D   2
  1      1.2870000              0.5844273        
  2      0.4335000              0.5298161        
D   1
  1      0.1396000              1.0000000        


name: Hay-Wadt VDZ (n+1) ECP
description: VDZ Valence Double Zeta designed for an ECP
elt: K
data:
POTASSIUM
S   3
  1      3.0720000             -0.3083067        
  2      0.6752000              0.7820711        
  3      0.2545000              0.4142883        
S   4
  1      3.0720000              0.1894087        
  2      0.6752000             -0.5472332        
  3      0.2545000             -0.7576458        
  4      0.0529000              0.9952157        
S   1
  1      0.0209000              1.0000000        
P   3
  1      8.2330000             -0.0419919        
  2      0.9526000              0.5776819        
  3      0.3013000              0.5234611        
P   1
  1      0.0376000              1.0000000        
P   1
  1      0.0140000              1.0000000        


name: Hay-Wadt VDZ (n+1) ECP
description: VDZ Valence Double Zeta designed for an ECP
elt: Ca
data:
CALCIUM
S   3
  1      3.4840000             -0.3337370        
  2      0.8551000              0.7589831        
  3      0.3192000              0.4606109        
S   4
  1      3.4840000              0.2606030        
  2      0.8551000             -0.6839150        
  3      0.3192000             -1.1987807        
  4      0.1447000              1.0251221        
S   1
  1      0.0350000              1.0000000        
P   3
  1      9.4200000             -0.0436943        
  2      1.1500000              0.6034747        
  3      0.3688000              0.4961107        
P   1
  1      0.0705000              1.0000000        
P   1
  1      0.0263000              1.0000000        


name: Hay-Wadt VDZ (n+1) ECP
description: VDZ Valence Double Zeta designed for an ECP
elt: Sc
data:
SCANDIUM
S   3
  1      3.7170000             -0.3926292        
  2      1.0970000              0.7147339        
  3      0.4164000              0.5509400        
S   4
  1      3.7170000              0.2197446        
  2      1.0970000             -0.4546067        
  3      0.4164000             -0.6938181        
  4      0.0761000              1.1260172        
S   1
  1      0.0284000              1.0000000        
P   3
  1     10.4000000             -0.0492615        
  2      1.3110000              0.6071965        
  3      0.4266000              0.4917582        
P   1
  1      0.0470000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   4
  1     15.1300000              0.0379291        
  2      4.2050000              0.1738360        
  3      1.3030000              0.4268057        
  4      0.3680000              0.6238539        
D   1
  1      0.0812000              1.0000000        


name: Hay-Wadt VDZ (n+1) ECP
description: VDZ Valence Double Zeta designed for an ECP
elt: Ti
data:
TITANIUM
S   3
  1      4.3720000             -0.3637098        
  2      1.0980000              0.8184533        
  3      0.4178000              0.4184526        
S   4
  1      4.3720000              0.2049027        
  2      1.0980000             -0.5575413        
  3      0.4178000             -0.5893652        
  4      0.0872000              1.1451661        
S   1
  1      0.0314000              1.0000000        
P   3
  1     12.5200000             -0.0456908        
  2      1.4910000              0.6203313        
  3      0.4859000              0.4765329        
P   1
  1      0.0530000              1.0000000        
P   1
  1      0.0160000              1.0000000        
D   4
  1     20.2100000              0.0341682        
  2      5.4950000              0.1710006        
  3      1.6990000              0.4405849        
  4      0.4840000              0.6114246        
D   1
  1      0.1157000              1.0000000        


name: Hay-Wadt VDZ (n+1) ECP
description: VDZ Valence Double Zeta designed for an ECP
elt: V
data:
VANADIUM
S   3
  1      4.5900000             -0.4277302        
  2      1.4930000              0.7069691        
  3      0.5570000              0.5895813        
S   4
  1      4.5900000              0.2501081        
  2      1.4930000             -0.4697777        
  3      0.5570000             -0.7129415        
  4      0.0975000              1.1006569        
S   1
  1      0.0342000              1.0000000        
P   3
  1     13.7600000             -0.0482312        
  2      1.7120000              0.6141161        
  3      0.5587000              0.4838342        
P   1
  1      0.0590000              1.0000000        
P   1
  1      0.0180000              1.0000000        
D   4
  1     25.7000000              0.0331033        
  2      6.5300000              0.1795753        
  3      2.0780000              0.4373062        
  4      0.6243000              0.5984860        
D   1
  1      0.1542000              1.0000000        


name: Hay-Wadt VDZ (n+1) ECP
description: VDZ Valence Double Zeta designed for an ECP
elt: Cr
data:
CHROMIUM
S   3
  1      5.3610000             -0.3805689        
  2      1.4490000              0.7795625        
  3      0.5496000              0.4730777        
S   4
  1      5.3610000              0.2203111        
  2      1.4490000             -0.5423391        
  3      0.5496000             -0.6047716        
  4      0.1052000              1.1136657        
S   1
  1      0.0364000              1.0000000        
P   3
  1     16.4200000             -0.0461397        
  2      1.9140000              0.6109965        
  3      0.6241000              0.4859635        
P   1
  1      0.0630000              1.0000000        
P   1
  1      0.0190000              1.0000000        
D   4
  1     28.9500000              0.0337787        
  2      7.7080000              0.1780345        
  3      2.4950000              0.4370008        
  4      0.7655000              0.5941795        
D   1
  1      0.1889000              1.0000000        


name: Hay-Wadt VDZ (n+1) ECP
description: VDZ Valence Double Zeta designed for an ECP
elt: Mn
data:
MANGANESE
S   3
  1      5.9140000             -0.3764508        
  2      1.6050000              0.7724789        
  3      0.6260000              0.4769346        
S   4
  1      5.9140000              0.2119966        
  2      1.6050000             -0.5199472        
  3      0.6260000             -0.5857681        
  4      0.1115000              1.1003964        
S   1
  1      0.0380000              1.0000000        
P   3
  1     18.2000000             -0.0447901        
  2      2.1410000              0.6260311        
  3      0.7009000              0.4696329        
P   1
  1      0.0690000              1.0000000        
P   1
  1      0.0210000              1.0000000        
D   4
  1     32.2700000              0.0341580        
  2      8.8750000              0.1761105        
  3      2.8900000              0.4394298        
  4      0.8761000              0.5943271        
D   1
  1      0.2120000              1.0000000        


name: Hay-Wadt VDZ (n+1) ECP
description: VDZ Valence Double Zeta designed for an ECP
elt: Sr
data:
STRONTIUM
S   3
  1      1.6480000             -0.9519879        
  2      1.0030000              1.0869857        
  3      0.3106000              0.7203160        
S   4
  1      1.6480000              0.7914337        
  2      1.0030000             -0.9434046        
  3      0.3106000             -1.3043063        
  4      0.1099000              0.9046869        
S   1
  1      0.0292000              1.0000000        
P   3
  1      3.5520000             -0.0886461        
  2      0.6975000              0.6661857        
  3      0.2480000              0.4390705        
P   2
  1      0.2735000             -0.1787470        
  2      0.0570000              1.0766134        
P   1
  1      0.0222000              1.0000000        


name: Hay-Wadt VDZ (n+1) ECP
description: VDZ Valence Double Zeta designed for an ECP
elt: Ag
data:
SILVER
S   3
  1      2.9500000             -1.7910564        
  2      2.1490000              2.0244570        
  3      0.6684000              0.6072839        
S   4
  1      2.9500000              1.0141125        
  2      2.1490000             -1.2413971        
  3      0.6684000             -0.4901427        
  4      0.0997000              1.1128375        
S   1
  1      0.0347000              1.0000000        
P   3
  1      6.5530000             -0.1079117        
  2      1.5650000              0.7403645        
  3      0.5748000              0.3721008        
P   2
  1      0.9085000             -0.0418371        
  2      0.0833000              1.0087586        
P   1
  1      0.0252000              1.0000000        
D   3
  1      3.3910000              0.1396938        
  2      1.5990000              0.4744421        
  3      0.6282000              0.5156311        
D   1
  1      0.2108000              1.0000000        


name: IGLO-II
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: H
data:
HYDROGEN
S   3
  1     33.6444000              0.61200000E-02   
  2      5.0579600              0.45750000E-01   
  3      1.1468000              0.20572000       
S   1
  1      0.32114400             1.0000000        
S   1
  1      0.10130900             1.0000000        
P   1
  1      0.6500000              1.0000000        


name: IGLO-II
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: B
data:
BORON
S   5
  1   2796.6035000              0.12822290E-02   
  2    420.8679900              0.97664082E-02   
  3     96.9158660              0.47452550E-01   
  4     28.1030580              0.16028625       
  5      9.3784384              0.36191858       
S   1
  1      3.4280972              1.0000000        
S   1
  1      1.3353938              1.0000000        
S   1
  1      0.32384228             1.0000000        
S   1
  1      0.10202139             1.0000000        
P   2
  1     11.2907200              0.14449977E-01   
  2      2.4257124              0.88292042E-01   
P   1
  1      0.68564974             1.0000000        
P   1
  1      0.21569117             1.0000000        
P   1
  1      0.07010236             1.0000000        
D   1
  1      0.7000000              1.0000000        


name: IGLO-II
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: C
data:
CARBON
S   5
  1   4240.3098000              0.12152226E-02   
  2    637.7782700              0.92731586E-02   
  3    146.7453400              0.45279235E-01   
  4     42.5314280              0.15492334       
  5     14.1848040              0.35808349       
S   1
  1      5.1756943              1.0000000        
S   1
  1      2.0072531              1.0000000        
S   1
  1      0.49677422             1.0000000        
S   1
  1      0.15348718             1.0000000        
P   2
  1     18.0991440              0.14760512E-01   
  2      3.9769145              0.91649350E-01   
P   1
  1      1.1450768              1.0000000        
P   1
  1      0.36188831             1.0000000        
P   1
  1      0.11460548             1.0000000        
D   1
  1      1.0000000              1.0000000        


name: IGLO-II
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: N
data:
NITROGEN
S   5
  1   6024.2736000              0.11603780E-02   
  2    906.5957700              0.88500699E-02   
  3    208.4478000              0.43504152E-01   
  4     60.1036830              0.15154374       
  5     19.9733480              0.35487068       
S   1
  1      7.3341985              1.0000000        
S   1
  1      2.8938194              1.0000000        
S   1
  1      0.70806350             1.0000000        
S   1
  1      0.21581223             1.0000000        
P   2
  1     26.3626090              0.14901061E-01   
  2      5.8777343              0.93338245E-01   
P   1
  1      1.7167892              1.0000000        
P   1
  1      0.54594357             1.0000000        
P   1
  1      0.16994634             1.0000000        
D   1
  1      1.0000000              1.0000000        


name: IGLO-II
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: O
data:
OXYGEN
S   5
  1   8046.1590000              0.11346040E-02   
  2   1211.9849000              0.86365429E-02   
  3    279.5249100              0.42297866E-01   
  4     80.9329960              0.14760311       
  5     26.9342700              0.35147639       
S   1
  1      9.8393320              1.0000000        
S   1
  1      3.8340374              1.0000000        
S   1
  1      0.95681143             1.0000000        
S   1
  1      0.28899604             1.0000000        
P   2
  1     34.9066140              0.15617689E-01   
  2      7.8465639              0.98281028E-01   
P   1
  1      2.3049855              1.0000000        
P   1
  1      0.72205670             1.0000000        
P   1
  1      0.21525878             1.0000000        
D   1
  1      1.0000000              1.0000000        


name: IGLO-II
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: F
data:
FLUORINE
S   5
  1  10255.8630000              0.11292620E-02   
  2   1545.5575000              0.85868021E-02   
  3    357.0697700              0.41957136E-01   
  4    103.6314300              0.14649137       
  5     34.5026160              0.35191132       
S   1
  1     12.5460950              1.0000000        
S   1
  1      4.8318328              1.0000000        
S   1
  1      1.2331235              1.0000000        
S   1
  1      0.36996157             1.0000000        
P   2
  1     44.6080070              0.16248533E-01   
  2     10.0966730              0.10219615       
P   1
  1      2.9848813              1.0000000        
P   1
  1      0.93222839             1.0000000        
P   1
  1      0.27221117             1.0000000        
D   1
  1      1.0000000              1.0000000        


name: IGLO-II
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Al
data:
ALUMINUM
S   5
  1  23491.0820000              0.10159500E-02   
  2   3547.6323000              0.76897020E-02   
  3    823.4719900              0.37631829E-01   
  4    237.6793800              0.13604661       
  5     78.6020590              0.33655292       
S   1
  1     29.0499060              1.0000000        
S   1
  1     11.6238120              1.0000000        
S   1
  1      3.4653431              1.0000000        
S   1
  1      1.2331429              1.0000000        
S   1
  1      0.20181005             1.0000000        
S   1
  1      0.07804797             1.0000000        
P   2
  1    141.5103600              0.10997308E-01   
  2     33.2176290              0.73983271E-01   
P   1
  1     10.3930140              1.0000000        
P   1
  1      3.5925839              1.0000000        
P   1
  1      1.2421020              1.0000000        
P   1
  1      0.30402357             1.0000000        
P   1
  1      0.07628914             1.0000000        
D   1
  1      0.3000000              1.0000000        
D   1
  1      1.2000000              1.0000000        


name: IGLO-II
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Si
data:
SILICON
S   5
  1  26737.3890000              0.10391170E-02   
  2   4076.3786000              0.77377140E-02   
  3    953.2931500              0.37756357E-01   
  4    274.5844100              0.13727615       
  5     90.6819870              0.33903718       
S   1
  1     33.5290570              1.0000000        
S   1
  1     13.4576290              1.0000000        
S   1
  1      4.0506916              1.0000000        
S   1
  1      1.4841839              1.0000000        
S   1
  1      0.27044323             1.0000000        
S   1
  1      0.09932161             1.0000000        
P   2
  1    163.7327000              0.11657257E-01   
  2     38.3520810              0.78802079E-01   
P   1
  1     12.0211140              1.0000000        
P   1
  1      4.1845733              1.0000000        
P   1
  1      1.4827170              1.0000000        
P   1
  1      0.33498569             1.0000000        
P   1
  1      0.09699384             1.0000000        
D   1
  1      0.3500000              1.0000000        
D   1
  1      1.4000000              1.0000000        


name: IGLO-II
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: P
data:
PHOSPHOROUS
S   5
  1  30632.3780000              0.10410130E-02   
  2   4684.2521000              0.77456910E-02   
  3   1093.5903000              0.37867995E-01   
  4    315.2803300              0.13740569       
  5    104.1176300              0.34053492       
S   1
  1     38.4157240              1.0000000        
S   1
  1     15.4465310              1.0000000        
S   1
  1      4.6559704              1.0000000        
S   1
  1      1.7588774              1.0000000        
S   1
  1      0.34094694             1.0000000        
S   1
  1      0.12377993             1.0000000        
P   2
  1    187.7387100              0.12251938E-01   
  2     43.6335500              0.84249103E-01   
P   1
  1     13.6031690              1.0000000        
P   1
  1      4.7660461              1.0000000        
P   1
  1      1.7426185              1.0000000        
P   1
  1      0.41920305             1.0000000        
P   1
  1      0.12451394             1.0000000        
D   1
  1      0.3500000              1.0000000        
D   1
  1      1.4000000              1.0000000        


name: IGLO-II
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: S
data:
SULFUR
S   5
  1  35713.9840000              0.10159130E-02   
  2   5396.6277000              0.76896040E-02   
  3   1249.7093000              0.37859089E-01   
  4    359.9342600              0.13697350       
  5    119.1712600              0.33927126       
S   1
  1     43.9835580              1.0000000        
S   1
  1     17.6266740              1.0000000        
S   1
  1      5.4200903              1.0000000        
S   1
  1      2.0738730              1.0000000        
S   1
  1      0.42642466             1.0000000        
S   1
  1      0.15187254             1.0000000        
P   2
  1    212.8658600              0.12776106E-01   
  2     49.6001950              0.87688413E-01   
P   1
  1     15.5155380              1.0000000        
P   1
  1      5.4755711              1.0000000        
P   1
  1      2.0441527              1.0000000        
P   1
  1      0.52179721             1.0000000        
P   1
  1      0.15064449             1.0000000        
D   1
  1      0.4000000              1.0000000        
D   1
  1      1.6000000              1.0000000        


name: IGLO-II
description: VDZP Valence Double Zeta + Polarization on All Atoms
elt: Cl
data:
CHLORINE
S   5
  1  40847.5640000              0.99931999E-03   
  2   6178.5973000              0.75805420E-02   
  3   1424.6428000              0.37585711E-01   
  4    409.2096900              0.13635939       
  5    135.4764600              0.33796115       
S   1
  1     50.1319430              1.0000000        
S   1
  1     20.2099350              1.0000000        
S   1
  1      6.2827101              1.0000000        
S   1
  1      2.4595546              1.0000000        
S   1
  1      0.52706222             1.0000000        
S   1
  1      0.18840804             1.0000000        
P   2
  1    240.7668700              0.13103854E-01   
  2     56.5624060              0.88954474E-01   
P   1
  1     17.8457780              1.0000000        
P   1
  1      6.3498807              1.0000000        
P   1
  1      2.4030754              1.0000000        
P   1
  1      0.64102163             1.0000000        
P   1
  1      0.18375019             1.0000000        
D   1
  1      0.4000000              1.0000000        
D   1
  1      1.6000000              1.0000000        


name: IGLO-III
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: H
data:
HYDROGEN
S   3
  1     68.1600000              0.25500000E-02   
  2     10.2465000              0.19380000E-01   
  3      2.3464800              0.92800000E-01   
S   1
  1      0.67332000             1.0000000        
S   1
  1      0.22466000             1.0000000        
S   1
  1      0.08221700             1.0000000        
P   1
  1      0.3300000              1.0000000        
P   1
  1      1.3000000              1.0000000        


name: IGLO-III
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: B
data:
BORON
S   5
  1  10624.8880000              0.24298378E-03   
  2   1587.9563000              0.18946190E-02   
  3    357.9583100              0.10023741E-01   
  4     99.2632590              0.41743820E-01   
  5     31.4713560              0.13581952       
S   1
  1     10.9210030              1.0000000        
S   1
  1      4.0701935              1.0000000        
S   1
  1      1.6175599              1.0000000        
S   1
  1      0.42720825             1.0000000        
S   1
  1      0.16635220             1.0000000        
S   1
  1      0.06656824             1.0000000        
P   2
  1     24.2260280              0.44105190E-02   
  2      5.6779476              0.27569307E-01   
P   1
  1      1.7537825              1.0000000        
P   1
  1      0.64115199             1.0000000        
P   1
  1      0.25505904             1.0000000        
P   1
  1      0.10423302             1.0000000        
P   1
  1      0.0427591              1.0000000        
D   1
  1      0.3500000              1.0000000        
D   1
  1      1.4000000              1.0000000        


name: IGLO-III
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: C
data:
CARBON
S   5
  1  16371.0740000              0.22641833E-03   
  2   2426.9925000              0.17844680E-02   
  3    544.5441800              0.94901567E-02   
  4    150.8048700              0.39660515E-01   
  5     47.7081430              0.13134026       
S   1
  1     16.4572410              1.0000000        
S   1
  1      6.0845578              1.0000000        
S   1
  1      2.3824631              1.0000000        
S   1
  1      0.6619866              1.0000000        
S   1
  1      0.24698997             1.0000000        
S   1
  1      0.0949873              1.0000000        
P   2
  1     40.7904230              0.40969752E-02   
  2      9.5034633              0.27584766E-01   
P   1
  1      2.9408357              1.0000000        
P   1
  1      1.0751115              1.0000000        
P   1
  1      0.4267024              1.0000000        
P   1
  1      0.17481926             1.0000000        
P   1
  1      0.07113054             1.0000000        
D   1
  1      0.3500000              1.0000000        
D   1
  1      1.4000000              1.0000000        


name: IGLO-III
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: N
data:
NITROGEN
S   5
  1  23274.8570000              0.21521253E-03   
  2   3468.1830000              0.16921400E-02   
  3    777.9884300              0.89940700E-02   
  4    215.7197600              0.37730390E-01   
  5     68.0780310              0.12667110       
S   1
  1     23.4243970              1.0000000        
S   1
  1      8.6693766              1.0000000        
S   1
  1      3.4217533              1.0000000        
S   1
  1      0.93125652             1.0000000        
S   1
  1      0.34656886             1.0000000        
S   1
  1      0.13311530             1.0000000        
P   2
  1     60.3172400              0.39765800E-02   
  2     14.1008110              0.27641970E-01   
P   1
  1      4.3877179              1.0000000        
P   1
  1      1.6082717              1.0000000        
P   1
  1      0.63885442             1.0000000        
P   1
  1      0.26035829             1.0000000        
P   1
  1      0.10396545             1.0000000        
D   1
  1      0.3500000              1.0000000        
D   1
  1      1.4000000              1.0000000        


name: IGLO-III
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: O
data:
OXYGEN
S   5
  1  30664.5030000              0.21413900E-03   
  2   4573.2014000              0.16779800E-02   
  3   1029.5524000              0.88814700E-02   
  4    285.9047400              0.37281340E-01   
  5     90.3696530              0.12518867       
S   1
  1     31.2195780              1.0000000        
S   1
  1     11.6077660              1.0000000        
S   1
  1      4.5927595              1.0000000        
S   1
  1      1.2711716              1.0000000        
S   1
  1      0.47214017             1.0000000        
S   1
  1      0.17896534             1.0000000        
P   2
  1     78.7029430              0.42416000E-02   
  2     18.4092610              0.29868460E-01   
P   1
  1      5.7530835              1.0000000        
P   1
  1      2.1107114              1.0000000        
P   1
  1      0.83712087             1.0000000        
P   1
  1      0.33907630             1.0000000        
P   1
  1      0.13226310             1.0000000        
D   1
  1      0.3500000              1.0000000        
D   1
  1      1.4000000              1.0000000        


name: IGLO-III
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: F
data:
FLUORINE
S   5
  1  37736.0000000              0.21824900E-03   
  2   5867.0791000              0.16332200E-02   
  3   1332.4679000              0.86817800E-02   
  4    369.4406000              0.36543390E-01   
  5    116.8430000              0.12310963       
S   1
  1     40.3487700              1.0000000        
S   1
  1     14.9662700              1.0000000        
S   1
  1      5.8759295              1.0000000        
S   1
  1      1.6533352              1.0000000        
S   1
  1      0.61083583             1.0000000        
S   1
  1      0.23328922             1.0000000        
P   2
  1    102.2619200              0.42732300E-02   
  2     23.9383810              0.30534308E-01   
P   1
  1      7.5205914              1.0000000        
P   1
  1      2.7724566              1.0000000        
P   1
  1      1.1000514              1.0000000        
P   1
  1      0.44677512             1.0000000        
P   1
  1      0.17187009             1.0000000        
D   1
  1      0.3500000              1.0000000        
D   1
  1      1.4000000              1.0000000        


name: IGLO-III
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: Al
data:
ALUMINUM
S   5
  1  55112.7000000              0.35193712E-03   
  2   8204.6600000              0.27503620E-02   
  3   1863.5600000              0.14185460E-01   
  4    530.1950000              0.55853274E-01   
  5    174.8950000              0.16789086       
S   1
  1     64.0090000              1.0000000        
S   1
  1     25.3231000              1.0000000        
S   1
  1     10.5639000              1.0000000        
S   1
  1      3.2126000              1.0000000        
S   1
  1      1.1543200              1.0000000        
S   1
  1      0.1781280              1.0000000        
S   1
  1      0.0658850              1.0000000        
P   2
  1    352.5459500              0.24124948E-02   
  2     83.0156160              0.19109684E-01   
P   1
  1     26.0039460              1.0000000        
P   1
  1      9.2320879              1.0000000        
P   1
  1      3.3549762              1.0000000        
P   1
  1      1.1882901              1.0000000        
P   1
  1      0.27615887             1.0000000        
P   1
  1      0.07277382             1.0000000        
D   1
  1      0.1500000              1.0000000        
D   1
  1      0.6000000              1.0000000        
D   1
  1      2.4000000              1.0000000        


name: IGLO-III
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: Si
data:
SILICON
S   5
  1  69989.3000000              0.31440692E-03   
  2  10380.2000000              0.24914300E-02   
  3   2330.0100000              0.13035420E-01   
  4    657.4660000              0.52270037E-01   
  5    214.0040000              0.16151425       
S   1
  1     77.6064000              1.0000000        
S   1
  1     30.6395000              1.0000000        
S   1
  1     12.8156000              1.0000000        
S   1
  1      3.9271400              1.0000000        
S   1
  1      1.4522100              1.0000000        
S   1
  1      0.2576440              1.0000000        
S   1
  1      0.0944040              1.0000000        
P   2
  1    401.6049000              0.26089308E-02   
  2     95.3524260              0.20258858E-01   
P   1
  1     30.3342200              1.0000000        
P   1
  1     10.9437270              1.0000000        
P   1
  1      4.0416822              1.0000000        
P   1
  1      1.4615479              1.0000000        
P   1
  1      0.33021241             1.0000000        
P   1
  1      0.09522172             1.0000000        
D   1
  1      0.1500000              1.0000000        
D   1
  1      0.6000000              1.0000000        
D   1
  1      2.4000000              1.0000000        


name: IGLO-III
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: P
data:
PHOSPHOROUS
S   5
  1  77492.3980000              0.32906400E-03   
  2  11605.7940000              0.25517440E-02   
  3   2645.9628000              0.13130113E-01   
  4    753.9776300              0.51896895E-01   
  5    248.7540300              0.15794319       
S   1
  1     91.1566230              1.0000000        
S   1
  1     36.2256180              1.0000000        
S   1
  1     15.2111550              1.0000000        
S   1
  1      4.7139485              1.0000000        
S   1
  1      1.7825432              1.0000000        
S   1
  1      0.34271273             1.0000000        
S   1
  1      0.12471095             1.0000000        
P   2
  1    447.0388200              0.28292890E-02   
  2    108.2982700              0.21308744E-01   
P   1
  1     34.7673880              1.0000000        
P   1
  1     12.5833790              1.0000000        
P   1
  1      4.6988549              1.0000000        
P   1
  1      1.7527599              1.0000000        
P   1
  1      0.42209549             1.0000000        
P   1
  1      0.12532092             1.0000000        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.8000000              1.0000000        
D   1
  1      2.5000000              1.0000000        


name: IGLO-III
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: S
data:
SULFUR
S   5
  1  94181.1000000              0.30557100E-03   
  2  13921.8000000              0.24010350E-02   
  3   3168.0400000              0.12354308E-01   
  4    901.8430000              0.49099148E-01   
  5    296.9540000              0.15099018       
S   1
  1    108.6690000              1.0000000        
S   1
  1     43.1579000              1.0000000        
S   1
  1     18.1168000              1.0000000        
S   1
  1      5.5709600              1.0000000        
S   1
  1      2.1428700              1.0000000        
S   1
  1      0.43438900             1.0000000        
S   1
  1      0.15709300             1.0000000        
P   2
  1    532.0312700              0.27350710E-02   
  2    126.6370100              0.21604760E-01   
P   1
  1     39.7523480              1.0000000        
P   1
  1     14.1402430              1.0000000        
P   1
  1      5.2606910              1.0000000        
P   1
  1      2.0063550              1.0000000        
P   1
  1      0.51597093             1.0000000        
P   1
  1      0.14946546             1.0000000        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.8000000              1.0000000        
D   1
  1      2.5000000              1.0000000        


name: IGLO-III
description: VTZP Valence Triple Zeta + Polarization on All Atoms
elt: Cl
data:
CHLORINE
S   5
  1 105818.8200000              0.30547500E-03   
  2  15872.0060000              0.23651510E-02   
  3   3619.6548000              0.12189277E-01   
  4   1030.8038000              0.48413396E-01   
  5    339.9078800              0.14895259       
S   1
  1    124.5381000              1.0000000        
S   1
  1     49.5135020              1.0000000        
S   1
  1     20.8056040              1.0000000        
S   1
  1      6.4648238              1.0000000        
S   1
  1      2.5254537              1.0000000        
S   1
  1      0.53783215             1.0000000        
S   1
  1      0.19349716             1.0000000        
P   2
  1    622.0273600              0.26799190E-02   
  2    145.4971900              0.22037237E-01   
P   1
  1     45.0086590              1.0000000        
P   1
  1     15.9008890              1.0000000        
P   1
  1      5.9259437              1.0000000        
P   1
  1      2.2943822              1.0000000        
P   1
  1      0.62806550             1.0000000        
P   1
  1      0.18123318             1.0000000        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.8000000              1.0000000        
D   1
  1      2.5000000              1.0000000        


name: Kaufmann Rydberg
description: N/A
elt: H
data:
HYDROGEN
S   1
  1      0.02462393             1.0000000        
S   1
  1      0.01125334             1.0000000        
S   1
  1      0.00585838             1.0000000        
S   1
  1      0.00334597             1.0000000        
S   1
  1      0.00204842             1.0000000        
S   1
  1      0.00132364             1.0000000        
S   1
  1      0.00089310             1.0000000        
S   1
  1      0.00062431             1.0000000        
P   1
  1      0.0423350              1.0000000        
P   1
  1      0.0192540              1.0000000        
P   1
  1      0.0099880              1.0000000        
P   1
  1      0.0056890              1.0000000        
P   1
  1      0.0034760              1.0000000        
P   1
  1      0.0022420              1.0000000        
P   1
  1      0.0015110              1.0000000        
P   1
  1      0.0010550              1.0000000        
D   1
  1      0.0605400              1.0000000        
D   1
  1      0.0274460              1.0000000        
D   1
  1      0.0142040              1.0000000        
D   1
  1      0.0080770              1.0000000        
D   1
  1      0.0049270              1.0000000        
D   1
  1      0.0031750              1.0000000        
D   1
  1      0.0021370              1.0000000        
D   1
  1      0.0014910              1.0000000        


name: Kaufmann Rydberg
description: Universal Gaussian basis sets for an optimum representation of Rydberg and continuum wavefunctions
elt: X
data:
GHOST
S   1
  1      0.02462393             1.0000000        
S   1
  1      0.01125334             1.0000000        
S   1
  1      0.00585838             1.0000000        
S   1
  1      0.00334597             1.0000000        
S   1
  1      0.00204842             1.0000000        
S   1
  1      0.00132364             1.0000000        
S   1
  1      0.00089310             1.0000000        
S   1
  1      0.00062431             1.0000000        
P   1
  1      0.0423350              1.0000000        
P   1
  1      0.0192540              1.0000000        
P   1
  1      0.0099880              1.0000000        
P   1
  1      0.0056890              1.0000000        
P   1
  1      0.0034760              1.0000000        
P   1
  1      0.0022420              1.0000000        
P   1
  1      0.0015110              1.0000000        
P   1
  1      0.0010550              1.0000000        
D   1
  1      0.0605400              1.0000000        
D   1
  1      0.0274460              1.0000000        
D   1
  1      0.0142040              1.0000000        
D   1
  1      0.0080770              1.0000000        
D   1
  1      0.0049270              1.0000000        
D   1
  1      0.0031750              1.0000000        
D   1
  1      0.0021370              1.0000000        
D   1
  1      0.0014910              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Na
data:
SODIUM
S   1
  1      0.4972000              1.0000000        
S   1
  1      0.0560000              1.0000000        
S   1
  1      0.0221000              1.0000000        
P   1
  1      0.6697000              1.0000000        
P   1
  1      0.0636000              1.0000000        
P   1
  1      0.0204000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Mg
data:
MAGNESIUM
S   1
  1      0.7250000              1.0000000        
S   1
  1      0.1112000              1.0000000        
S   1
  1      0.0404000              1.0000000        
P   1
  1      1.2400000              1.0000000        
P   1
  1      0.1346000              1.0000000        
P   1
  1      0.0422000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Al
data:
ALUMINUM
S   1
  1      0.9615000              1.0000000        
S   1
  1      0.1819000              1.0000000        
S   1
  1      0.0657000              1.0000000        
P   1
  1      1.9280000              1.0000000        
P   1
  1      0.2013000              1.0000000        
P   1
  1      0.0580000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Si
data:
SILICON
S   1
  1      1.2220000              1.0000000        
S   1
  1      0.2595000              1.0000000        
S   1
  1      0.0931000              1.0000000        
P   1
  1      2.5800000              1.0000000        
P   1
  1      0.2984000              1.0000000        
P   1
  1      0.0885000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: P
data:
PHOSPHOROUS
S   1
  1      1.5160000              1.0000000        
S   1
  1      0.3369000              1.0000000        
S   1
  1      0.1211000              1.0000000        
P   1
  1      3.7050000              1.0000000        
P   1
  1      0.3934000              1.0000000        
P   1
  1      0.1190000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: S
data:
SULFUR
S   1
  1      1.8500000              1.0000000        
S   1
  1      0.4035000              1.0000000        
S   1
  1      0.1438000              1.0000000        
P   1
  1      4.9450000              1.0000000        
P   1
  1      0.4870000              1.0000000        
P   1
  1      0.1379000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Cl
data:
CHLORINE
S   1
  1      2.2310000              1.0000000        
S   1
  1      0.4720000              1.0000000        
S   1
  1      0.1631000              1.0000000        
P   1
  1      6.2960000              1.0000000        
P   1
  1      0.6333000              1.0000000        
P   1
  1      0.1819000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Ar
data:
ARGON
S   1
  1      2.6130000              1.0000000        
S   1
  1      0.5736000              1.0000000        
S   1
  1      0.2014000              1.0000000        
P   1
  1      7.8600000              1.0000000        
P   1
  1      0.7387000              1.0000000        
P   1
  1      0.2081000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: K
data:
POTASSIUM
S   1
  1      3.0720000              1.0000000        
S   1
  1      0.6752000              1.0000000        
S   1
  1      0.2545000              1.0000000        
S   1
  1      0.0529000              1.0000000        
S   1
  1      0.0209000              1.0000000        
P   1
  1      8.2330000              1.0000000        
P   1
  1      0.9526000              1.0000000        
P   1
  1      0.3013000              1.0000000        
P   1
  1      0.0376000              1.0000000        
P   1
  1      0.0140000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Ca
data:
CALCIUM
S   1
  1      3.4840000              1.0000000        
S   1
  1      0.8551000              1.0000000        
S   1
  1      0.3192000              1.0000000        
S   1
  1      0.1447000              1.0000000        
S   1
  1      0.0350000              1.0000000        
P   1
  1      9.4200000              1.0000000        
P   1
  1      1.1500000              1.0000000        
P   1
  1      0.3688000              1.0000000        
P   1
  1      0.0705000              1.0000000        
P   1
  1      0.0263000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Sc
data:
SCANDIUM
S   1
  1      3.7170000              1.0000000        
S   1
  1      1.0970000              1.0000000        
S   1
  1      0.4164000              1.0000000        
S   1
  1      0.0761000              1.0000000        
S   1
  1      0.0284000              1.0000000        
P   1
  1     10.4000000              1.0000000        
P   1
  1      1.3110000              1.0000000        
P   1
  1      0.4266000              1.0000000        
P   1
  1      0.0470000              1.0000000        
P   1
  1      0.0140000              1.0000000        
D   1
  1     15.1300000              1.0000000        
D   1
  1      4.2050000              1.0000000        
D   1
  1      1.3030000              1.0000000        
D   1
  1      0.3680000              1.0000000        
D   1
  1      0.0812000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Ti
data:
TITANIUM
S   1
  1      4.3720000              1.0000000        
S   1
  1      1.0980000              1.0000000        
S   1
  1      0.4178000              1.0000000        
S   1
  1      0.0872000              1.0000000        
S   1
  1      0.0314000              1.0000000        
P   1
  1     12.5200000              1.0000000        
P   1
  1      1.4910000              1.0000000        
P   1
  1      0.4859000              1.0000000        
P   1
  1      0.0530000              1.0000000        
P   1
  1      0.0160000              1.0000000        
D   1
  1     20.2100000              1.0000000        
D   1
  1      5.4950000              1.0000000        
D   1
  1      1.6990000              1.0000000        
D   1
  1      0.4840000              1.0000000        
D   1
  1      0.1157000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: V
data:
VANADIUM
S   1
  1      4.5900000              1.0000000        
S   1
  1      1.4930000              1.0000000        
S   1
  1      0.5570000              1.0000000        
S   1
  1      0.0975000              1.0000000        
S   1
  1      0.0342000              1.0000000        
P   1
  1     13.7600000              1.0000000        
P   1
  1      1.7120000              1.0000000        
P   1
  1      0.5587000              1.0000000        
P   1
  1      0.0590000              1.0000000        
P   1
  1      0.0180000              1.0000000        
D   1
  1     25.7000000              1.0000000        
D   1
  1      6.5300000              1.0000000        
D   1
  1      2.0780000              1.0000000        
D   1
  1      0.6243000              1.0000000        
D   1
  1      0.1542000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Cr
data:
CHROMIUM
S   1
  1      5.3610000              1.0000000        
S   1
  1      1.4490000              1.0000000        
S   1
  1      0.5496000              1.0000000        
S   1
  1      0.1052000              1.0000000        
S   1
  1      0.0364000              1.0000000        
P   1
  1     16.4200000              1.0000000        
P   1
  1      1.9140000              1.0000000        
P   1
  1      0.6241000              1.0000000        
P   1
  1      0.0630000              1.0000000        
P   1
  1      0.0190000              1.0000000        
D   1
  1     28.9500000              1.0000000        
D   1
  1      7.7080000              1.0000000        
D   1
  1      2.4950000              1.0000000        
D   1
  1      0.7655000              1.0000000        
D   1
  1      0.1889000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Mn
data:
MANGANESE
S   1
  1      5.9140000              1.0000000        
S   1
  1      1.6050000              1.0000000        
S   1
  1      0.6260000              1.0000000        
S   1
  1      0.1115000              1.0000000        
S   1
  1      0.0380000              1.0000000        
P   1
  1     18.2000000              1.0000000        
P   1
  1      2.1410000              1.0000000        
P   1
  1      0.7009000              1.0000000        
P   1
  1      0.0690000              1.0000000        
P   1
  1      0.0210000              1.0000000        
D   1
  1     32.2700000              1.0000000        
D   1
  1      8.8750000              1.0000000        
D   1
  1      2.8900000              1.0000000        
D   1
  1      0.8761000              1.0000000        
D   1
  1      0.2120000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Fe
data:
IRON
S   1
  1      6.4220000              1.0000000        
S   1
  1      1.8260000              1.0000000        
S   1
  1      0.7135000              1.0000000        
S   1
  1      0.1021000              1.0000000        
S   1
  1      0.0363000              1.0000000        
P   1
  1     19.4800000              1.0000000        
P   1
  1      2.3890000              1.0000000        
P   1
  1      0.7795000              1.0000000        
P   1
  1      0.0740000              1.0000000        
P   1
  1      0.0220000              1.0000000        
D   1
  1     37.0800000              1.0000000        
D   1
  1     10.1000000              1.0000000        
D   1
  1      3.2200000              1.0000000        
D   1
  1      0.9628000              1.0000000        
D   1
  1      0.2262000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Co
data:
COBALT
S   1
  1      7.1760000              1.0000000        
S   1
  1      2.0090000              1.0000000        
S   1
  1      0.8055000              1.0000000        
S   1
  1      0.1070000              1.0000000        
S   1
  1      0.0375000              1.0000000        
P   1
  1     21.3900000              1.0000000        
P   1
  1      2.6500000              1.0000000        
P   1
  1      0.8619000              1.0000000        
P   1
  1      0.0800000              1.0000000        
P   1
  1      0.0230000              1.0000000        
D   1
  1     39.2500000              1.0000000        
D   1
  1     10.7800000              1.0000000        
D   1
  1      3.4960000              1.0000000        
D   1
  1      1.0660000              1.0000000        
D   1
  1      0.2606000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Ni
data:
NICKEL
S   1
  1      7.6200000              1.0000000        
S   1
  1      2.2940000              1.0000000        
S   1
  1      0.8760000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     23.6600000              1.0000000        
P   1
  1      2.8930000              1.0000000        
P   1
  1      0.9435000              1.0000000        
P   1
  1      0.0840000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   1
  1     42.7200000              1.0000000        
D   1
  1     11.7600000              1.0000000        
D   1
  1      3.8170000              1.0000000        
D   1
  1      1.1690000              1.0000000        
D   1
  1      0.2836000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Cu
data:
COPPER
S   1
  1      8.1760000              1.0000000        
S   1
  1      2.5680000              1.0000000        
S   1
  1      0.9587000              1.0000000        
S   1
  1      0.1153000              1.0000000        
S   1
  1      0.0396000              1.0000000        
P   1
  1     25.6300000              1.0000000        
P   1
  1      3.1660000              1.0000000        
P   1
  1      1.0230000              1.0000000        
P   1
  1      0.0860000              1.0000000        
P   1
  1      0.0240000              1.0000000        
D   1
  1     41.3400000              1.0000000        
D   1
  1     11.4200000              1.0000000        
D   1
  1      3.8390000              1.0000000        
D   1
  1      1.2300000              1.0000000        
D   1
  1      0.3102000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Zn
data:
ZINC
S   1
  1      0.7997000              1.0000000        
S   1
  1      0.1752000              1.0000000        
S   1
  1      0.0556000              1.0000000        
P   1
  1      0.1202000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   1
  1     68.8500000              1.0000000        
D   1
  1     18.3200000              1.0000000        
D   1
  1      5.9220000              1.0000000        
D   1
  1      1.9270000              1.0000000        
D   1
  1      0.5528000              1.0000000        


name: LANL08
description: Uncontracted basis set
elt: Ga
data:
GALLIUM
S   1
  1      0.8306000              1.0000000        
S   1
  1      0.3392000              1.0000000        
S   1
  1      0.0918000              1.0000000        
P   1
  1      1.6750000              1.0000000        
P   1
  1      0.2030000              1.0000000        
P   1
  1      0.0579000              1.0000000        


