TURBOMOLE Basis Set Library

...................................

 
Element H 

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
h def2-SVP
*
    3  s
       22.0683430000        0.0530339860
        4.3905712000        0.3946522022
        1.0540787000        0.9172987712
    1  s
        0.2717874000        1.0000000000
    1  p
        1.8529979000        1.0000000000
    1  p
        0.3881034000        1.0000000000
    1  d
        2.5579933000        1.0000000000
    1  d
        0.3292649000        1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element He

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
he def2-SVP
*
   1  s
  66.205029000      0.53033986000E-01
   1  s
  13.171713600      0.39465220220
   1  s
  3.1622361000      0.91729877120
   1  s
 0.81536220000       1.0000000000
   1  p
  9.6128819820       1.0000000000
   1  p
  3.2042939700       1.0000000000
   1  p
  1.1643102000       1.0000000000
   1  d
  7.6739799000       1.0000000000
   1  d
 0.98779470000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Li

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
li def2-SVP
*
   4  s
  188.56998650      0.59285056600E-01
  57.062030900      0.18260726540
  19.061045700      0.49617981420
  6.9971625000      0.73513933910
   1  s
  2.8033030000      0.42013761170
   1  s
  1.2138450000       1.0000000000
   1  s
 0.56084720000       1.0000000000
   1  s
 0.27217160000       1.0000000000
   1  s
 0.13619220000       1.0000000000
   1  s
 0.68863800000E-01   1.0000000000
   3  p
  9.0816823000      0.31000416350
  3.4212207000      0.56098701260
  1.4152012000      0.65679012740
   1  p
 0.63373280000      0.39114812890
   1  p
 0.30157170000     -0.69432414300E-01
   1  p
 0.14911410000       1.0000000000
   1  p
 0.74703300000E-01   1.0000000000
   2  d
  1.3650595000      0.64326056650
 0.67666500000      0.66866171520
   1  d
 0.33881780000     -0.21562669730
   1  d
 0.17022570000      0.25229505830
   1  f
 0.60590120000       1.0000000000
   1  f
 0.17311460000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Be

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
be def2-SVP
*
   4  s
  145.42535500      0.17030048260
  43.759339000      0.40797801530
  14.810954000      0.76631120560
  5.6210223000      0.46617466770
   1  s
  2.3772683000       1.0000000000
   1  s
  1.1092020000       1.0000000000
   1  s
 0.56272400000       1.0000000000
   1  s
 0.30447050000       1.0000000000
   1  s
 0.17158580000       1.0000000000
   1  s
 0.98056500000E-01   1.0000000000
   3  p
  13.964325300      0.41683978250
  4.5963247000      0.70594351900
  1.7195766000      0.57261535410
   1  p
 0.71982320000       1.0000000000
   1  p
 0.32928900000       1.0000000000
   1  p
 0.15951950000       1.0000000000
   1  p
 0.78826500000E-01   1.0000000000
   2  d
  2.4566484000      0.13079692550
 0.85308120000      0.99140918110
   1  d
 0.29624180000       1.0000000000
   1  d
 0.10287390000       1.0000000000
   1  f
 0.70900800000       1.0000000000
   1  f
 0.20257371400       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element B 

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
b def2-SVP
*
   5  s
  305.05125940      0.16485872290
  137.90047530      0.74718397200E-01
  65.111853000      0.45079426670
  32.045079900      0.46218536590
  16.399255900      0.65143990500
   1  s
  8.7025338000      0.32346473130
   1  s
  4.7737916000      0.14630309960
   1  s
  2.6974657000       1.0000000000
   1  s
  1.5640429000       1.0000000000
   1  s
 0.92667010000       1.0000000000
   1  s
 0.55852530000       1.0000000000
   1  s
 0.34084340000       1.0000000000
   1  s
 0.20957330000       1.0000000000
   1  s
 0.12918500000       1.0000000000
   3  p
  94.469984000      0.56061232800E-01
  36.819812900      0.15102085150
  15.710121000      0.45838198630
   1  p
  6.7457081000      0.71426911270
   1  p
  3.1084655000      0.50374143160
   1  p
  1.4682066000       1.0000000000
   1  p
 0.71301790000       1.0000000000
   1  p
 0.35338400000       1.0000000000
   1  p
 0.17732940000       1.0000000000
   1  p
 0.90249900000E-01   1.0000000000
   2  d
  5.3664080000      0.41332265050
  2.0479009000      0.91058464000
   1  d
 0.87436970000       1.0000000000
   1  d
 0.40794330000       1.0000000000
   1  d
 0.20154400000       1.0000000000
   1  d
 0.10156760000       1.0000000000
   2  f
  1.5043374000      0.30916402260
 0.59487180000      0.62216429740
   1  g
 0.87665570000      0.71925600040
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element C 

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
c def2-SVP
*
   5  s
  384.44382410      0.18257867580
  167.56266310      0.11970433650
  76.619620300      0.51617376790
  36.679529300      0.53561565140
  18.338091700      0.60189974570
   1  s
  9.5470634000      0.19165883840
   1  s
  5.1584143000       1.0000000000
   1  s
  2.8816701000       1.0000000000
   1  s
  1.6573522000       1.0000000000
   1  s
 0.97681020000       1.0000000000
   1  s
 0.58702000000       1.0000000000
   1  s
 0.35779270000       1.0000000000
   1  s
 0.21995500000       1.0000000000
   1  s
 0.13560770000       1.0000000000
   3  p
  62.067956100      0.25747330090
  20.012750700      0.58566021840
  10.205359400      0.51756621670
   1  p
  5.6367045000      0.56818555000
   1  p
  2.8744918000       1.0000000000
   1  p
  1.4513791000       1.0000000000
   1  p
 0.73283270000       1.0000000000
   1  p
 0.37002560000       1.0000000000
   1  p
 0.18683600000       1.0000000000
   1  p
 0.95282100000E-01   1.0000000000
   2  d
  11.282005700      0.13434185260
  4.3789486000      0.41999086490
   1  d
  1.7517699000      0.89752991040
   1  d
 0.71648520000       1.0000000000
   1  d
 0.29704020000       1.0000000000
   1  d
 0.12370870000       1.0000000000
   2  f
  1.8786227000      0.62371094050
 0.68603580000      0.78165507910
   1  g
  1.1430602000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element N 

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
n def2-SVP
*
   5  s
  502.86084920      0.17948662110
  209.96500460      0.16394914980
  92.434008900      0.55297971800
  42.817583500      0.58582103980
  20.817615400      0.53192624460
   1  s
  10.591289400      0.94798946400E-01
   1  s
  5.6186543000       1.0000000000
   1  s
  3.0952689000       1.0000000000
   1  s
  1.7624885000       1.0000000000
   1  s
  1.0319737000       1.0000000000
   1  s
 0.61783520000       1.0000000000
   1  s
 0.37593430000       1.0000000000
   1  s
 0.23100830000       1.0000000000
   1  s
 0.14242240000       1.0000000000
   3  p
  44.607497200      0.51530130010
  22.523067100      0.19383347500
  11.372330300      0.81042183410
   1  p
  5.7421344000      0.20027382490
   1  p
  2.8993384000       1.0000000000
   1  p
  1.4639486000       1.0000000000
   1  p
 0.73918610000       1.0000000000
   1  p
 0.37323510000       1.0000000000
   1  p
 0.18845670000       1.0000000000
   1  p
 0.95157100000E-01   1.0000000000
   3  d
  46.844040600      0.39944270800E-01
  14.882456100      0.27216475910
  5.3437066000      0.96142123920
   1  d
  2.1154199000       1.0000000000
   1  d
 0.89232180000       1.0000000000
   1  d
 0.38480430000       1.0000000000
   1  f
  2.4229788000      0.69222939090
   1  f
 0.83354410000      0.72167753900
   1  g
  1.4586791000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element O 

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
o def2-SVP
*
   5  s
  625.28298110      0.18479249890
  253.93274180      0.19224605780
  109.04929550      0.59372043000
  49.423005600      0.60593463970
  23.580521100      0.45741933600
   1  s
  11.807759100       1.0000000000
   1  s
  6.1827814000       1.0000000000
   1  s
  3.3709061000       1.0000000000
   1  s
  1.9042805000       1.0000000000
   1  s
  1.1085447000       1.0000000000
   1  s
 0.66098860000       1.0000000000
   1  s
 0.40108140000       1.0000000000
   1  s
 0.24597690000       1.0000000000
   1  s
 0.15139390000       1.0000000000
   3  p
  77.687483800      0.39010104350
  22.415388400      0.83793482660
  9.8906463000      0.38168888150
   1  p
  5.4848863000       1.0000000000
   1  p
  2.9732983000       1.0000000000
   1  p
  1.4735260000       1.0000000000
   1  p
 0.73603410000       1.0000000000
   1  p
 0.36974140000       1.0000000000
   1  p
 0.18637210000       1.0000000000
   1  p
 0.94990600000E-01   1.0000000000
   3  d
  37.707107400      0.77860015600E-01
  14.775254300      0.31355206270
  5.8470900000      0.94637356360
   1  d
  2.3304365000       1.0000000000
   1  d
 0.93282670000       1.0000000000
   1  d
 0.37392850000       1.0000000000
   1  f
  3.0293422000      0.76154791140
   1  f
 0.92484900000      0.64810861640
   1  g
  1.6934809000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element F 

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
f def2-SVP
*
   5  s
  858.40986550      0.15724526030
  329.08541150      0.22410411410
  134.26832490      0.59862046130
  58.197052700      0.64592399510
  26.732570500      0.38663550020
   1  s
  12.973304700       1.0000000000
   1  s
  6.6262885000       1.0000000000
   1  s
  3.5457034000       1.0000000000
   1  s
  1.9769882000       1.0000000000
   1  s
  1.1415471000       1.0000000000
   1  s
 0.67791470000       1.0000000000
   1  s
 0.41094040000       1.0000000000
   1  s
 0.25224670000       1.0000000000
   1  s
 0.15548980000       1.0000000000
   3  p
  146.43308040      0.23153859350
  49.907475200      0.45919101790
  24.555015800      0.70668711020
   1  p
  10.579579200      0.48592881900
   1  p
  5.4280075000       1.0000000000
   1  p
  2.9079399000       1.0000000000
   1  p
  1.4550833000       1.0000000000
   1  p
 0.73152390000       1.0000000000
   1  p
 0.36880500000       1.0000000000
   1  p
 0.18611230000       1.0000000000
   3  d
  42.931821000      0.94532677800E-01
  16.655135500      0.36468605240
  6.4612572000      0.92631941360
   1  d
  2.5066049000       1.0000000000
   1  d
 0.97242190000       1.0000000000
   1  d
 0.37724510000       1.0000000000
   1  f
  3.4749889000      0.70247694460
   1  f
  1.2194812000      0.71170650010
   1  g
  2.0459091000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Ne

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
ne def2-SVP
*
   5  s
  1073.0123319      0.15724526030
  411.35676437      0.22410411410
  167.83540612      0.59862046130
  72.746315875      0.64592399510
  33.415713125      0.38663550020
   1  s
  16.216630875       1.0000000000
   1  s
  8.2828606250       1.0000000000
   1  s
  4.4321292500       1.0000000000
   1  s
  2.4712352500       1.0000000000
   1  s
  1.4269338750       1.0000000000
   1  s
 0.84739337500       1.0000000000
   1  s
 0.51367550000       1.0000000000
   1  s
 0.31530837500       1.0000000000
   1  s
 0.19436225000       1.0000000000
   3  p
  183.04135050      0.23153859350
  62.384344000      0.45919101790
  30.693769750      0.70668711020
   1  p
  13.224474000      0.48592881900
   1  p
  6.7850093750       1.0000000000
   1  p
  3.6349248750       1.0000000000
   1  p
  1.8188541250       1.0000000000
   1  p
 0.91440487500       1.0000000000
   1  p
 0.46100625000       1.0000000000
   1  p
 0.23264037500       1.0000000000
   3  d
  53.664776250      0.94532677800E-01
  20.818919375      0.36468605240
  8.0765715000      0.92631941360
   1  d
  3.1332561250       1.0000000000
   1  d
  1.2155273750       1.0000000000
   1  d
 0.47155637500       1.0000000000
   1  f
  4.3437361250      0.70247694460
   1  f
  1.5243515000      0.71170650010
   1  g
  2.5573863750       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Na

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
na def2-SVP
*
   4  s
  1671.8975852      0.11032403560
  586.06975390      0.23139911840
  218.34260520      0.59716976460
  86.366033900      0.76004692450
   1  s
  36.219384800       1.0000000000
   1  s
  16.073013700       1.0000000000
   1  s
  7.5289891000       1.0000000000
   1  s
  3.7112547000       1.0000000000
   1  s
  1.9179111000       1.0000000000
   1  s
  1.0345305000       1.0000000000
   1  s
 0.57949570000       1.0000000000
   1  s
 0.33515430000       1.0000000000
   1  s
 0.19886430000       1.0000000000
   1  s
 0.12022300000       1.0000000000
   1  s
 0.73512900000E-01   1.0000000000
   1  s
 0.45123200000E-01   1.0000000000
   4  p
  349.75213850      0.92141663300E-01
  136.72780630      0.26853372740
  55.817015700      0.66812480140
  23.726257200      0.68775635280
   1  p
  10.466263900       1.0000000000
   1  p
  4.7731711000       1.0000000000
   1  p
  2.2409850000       1.0000000000
   1  p
  1.0781356000       1.0000000000
   1  p
 0.52885540000       1.0000000000
   1  p
 0.26310130000       1.0000000000
   1  p
 0.13201540000       1.0000000000
   1  p
 0.66431100000E-01   1.0000000000
   3  d
  83.715935800      0.53289694100E-01
  33.253314200      0.21338229650
  13.842977800      0.60532532480
   1  d
  6.0067198000      0.76498984000
   1  d
  2.6999775000       1.0000000000
   1  d
  1.2484740000       1.0000000000
   1  d
 0.58938660000       1.0000000000
   1  d
 0.28178180000       1.0000000000
   1  d
 0.13529180000       1.0000000000
   1  f
  15.819398000       1.0000000000
   1  f
  5.2731318000       1.0000000000
   1  f
  1.7577169000       1.0000000000
   1  f
 0.58590333000       1.0000000000
   1  g
  3.6058159000      0.70713457060
*
$end


 Reference(s):  Basis: [26]
...................................

 
Element Mg

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
mg def2-SVP
*
   4  s
  2128.2495853      0.10643319350
  807.93042050      0.16789291360
  323.75323140      0.47543676830
  136.77209260      0.69573362020
   1  s
  60.815703600      0.50039839520
   1  s
  28.404042900       1.0000000000
   1  s
  13.899707300       1.0000000000
   1  s
  7.1055414000       1.0000000000
   1  s
  3.7812917000       1.0000000000
   1  s
  2.0863957000       1.0000000000
   1  s
  1.1882511000       1.0000000000
   1  s
 0.69503590000       1.0000000000
   1  s
 0.41527650000       1.0000000000
   1  s
 0.25199010000       1.0000000000
   1  s
 0.15435110000       1.0000000000
   1  s
 0.94842800000E-01   1.0000000000
   4  p
  396.48152620      0.98933060200E-01
  152.10945080      0.29527730960
  61.142601000      0.71625501420
  25.673860200      0.62450165300
   1  p
  11.222347800       1.0000000000
   1  p
  5.0860890000       1.0000000000
   1  p
  2.3792166000       1.0000000000
   1  p
  1.1430544000       1.0000000000
   1  p
 0.56095400000       1.0000000000
   1  p
 0.27957660000       1.0000000000
   1  p
 0.14065420000       1.0000000000
   1  p
 0.70986000000E-01   1.0000000000
   3  d
  101.57104280      0.86280837800E-01
  42.395909800      0.31056467310
  18.064561800      0.94662833300
   1  d
  7.8352029000       1.0000000000
   1  d
  3.4489951000       1.0000000000
   1  d
  1.5360109000       1.0000000000
   1  d
 0.68983670000       1.0000000000
   1  d
 0.31138900000       1.0000000000
   1  d
 0.14079840000       1.0000000000
   1  f
  13.370833500       1.0000000000
   1  f
  4.4569445400       1.0000000000
   1  f
  1.4856481000       1.0000000000
   1  f
 0.49521606000       1.0000000000
   1  g
  2.6887766000      0.82161405810
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Al

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
al def2-SVP
*
   4  s
  3311.4623116      0.89400873700E-01
  818.81200300      0.27791074450
  329.32328000      0.46314060040
  148.01818310      0.70473389670
   1  s
  67.356956500      0.45124718400
   1  s
  30.711506400       1.0000000000
   1  s
  14.851531900       1.0000000000
   1  s
  7.5180147000       1.0000000000
   1  s
  3.9696099000       1.0000000000
   1  s
  2.1772745000       1.0000000000
   1  s
  1.2347125000       1.0000000000
   1  s
 0.72018170000       1.0000000000
   1  s
 0.42960500000       1.0000000000
   1  s
 0.26049410000       1.0000000000
   1  s
 0.16112590000       1.0000000000
   1  s
 0.10049820000       1.0000000000
   2  p
  440.45362800      0.12856231490
  166.42160060      0.38949937390
   1  p
  66.033351800      0.91200985130
   1  p
  27.431395800       1.0000000000
   1  p
  11.888083200       1.0000000000
   1  p
  5.3525289000       1.0000000000
   1  p
  2.4920135000       1.0000000000
   1  p
  1.1934791000       1.0000000000
   1  p
 0.58461600000       1.0000000000
   1  p
 0.29111070000       1.0000000000
   1  p
 0.14641360000       1.0000000000
   1  p
 0.73885600000E-01   1.0000000000
   2  d
  100.72805830      0.91954745200E-01
  38.055996000      0.39496875060
   1  d
  15.275436000      0.91408096520
   1  d
  6.4821533000       1.0000000000
   1  d
  2.8906045000       1.0000000000
   1  d
  1.3449804000       1.0000000000
   1  d
 0.64768250000       1.0000000000
   1  d
 0.31988040000       1.0000000000
   1  d
 0.16044870000       1.0000000000
   1  d
 0.80900100000E-01   1.0000000000
   1  f
  2.9655902000      0.91037479090
   1  f
 0.72215180000      0.41378465430
   1  f
 0.36857160000       1.0000000000
   1  f
 0.95697000000E-01   1.0000000000
   1  g
 0.57653060000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Si

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
si def2-SVP
*
   4  s
  2858.3388830      0.11468039050
  1053.2201584      0.20561140910
  410.83907790      0.55701966650
  169.46032480      0.79643044120
   1  s
  73.795659900       1.0000000000
   1  s
  33.860090900       1.0000000000
   1  s
  16.328761300       1.0000000000
   1  s
  8.2510141000       1.0000000000
   1  s
  4.3529745000       1.0000000000
   1  s
  2.3876618000       1.0000000000
   1  s
  1.3551863000       1.0000000000
   1  s
 0.79169050000       1.0000000000
   1  s
 0.47327530000       1.0000000000
   1  s
 0.28771350000       1.0000000000
   1  s
 0.17670100000       1.0000000000
   1  s
 0.10889430000       1.0000000000
   2  p
  472.10027120      0.13853983480
  178.62507500      0.40607980570
   1  p
  70.958635200      0.90327509960
   1  p
  29.506044000       1.0000000000
   1  p
  12.797091600       1.0000000000
   1  p
  5.7652107000       1.0000000000
   1  p
  2.6852880000       1.0000000000
   1  p
  1.2864019000       1.0000000000
   1  p
 0.63023470000       1.0000000000
   1  p
 0.31384940000       1.0000000000
   1  p
 0.15785290000       1.0000000000
   1  p
 0.79658200000E-01   1.0000000000
   2  d
  110.86571220      0.23711945870
  41.883451300      0.97148050020
   1  d
  16.815337900       1.0000000000
   1  d
  7.1390557000       1.0000000000
   1  d
  3.1858809000       1.0000000000
   1  d
  1.4837982000       1.0000000000
   1  d
 0.71535550000       1.0000000000
   1  d
 0.35376180000       1.0000000000
   1  d
 0.17768980000       1.0000000000
   1  d
 0.89720500000E-01   1.0000000000
   1  f
  4.3695835000      0.90767291310
   1  f
  1.1183819000      0.41967830880
   1  f
 0.53867770000       1.0000000000
   1  f
 0.16592400000       1.0000000000
   1  g
 0.68448660000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element P 

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
p def2-SVP
*
   4  s
  3184.8068027      0.12778276150
  1332.8502381      0.12766335210
  583.66215710      0.43878733100
  267.05269600      0.61737949570
   1  s
  127.44821630      0.62744073090
   1  s
  63.311409700       1.0000000000
   1  s
  32.659417300       1.0000000000
   1  s
  17.447440200       1.0000000000
   1  s
  9.6232184000       1.0000000000
   1  s
  5.4612796000       1.0000000000
   1  s
  3.1771054000       1.0000000000
   1  s
  1.8870259000       1.0000000000
   1  s
  1.1393644000       1.0000000000
   1  s
 0.69617630000       1.0000000000
   1  s
 0.42845840000       1.0000000000
   1  s
 0.26433060000       1.0000000000
   2  p
  516.99040050      0.31907568270
  193.43174330      0.94772923810
   1  p
  76.117926000       1.0000000000
   1  p
  31.407759600       1.0000000000
   1  p
  13.539519000       1.0000000000
   1  p
  6.0722814000       1.0000000000
   1  p
  2.8196165000       1.0000000000
   1  p
  1.3482686000       1.0000000000
   1  p
 0.65999920000       1.0000000000
   1  p
 0.32864820000       1.0000000000
   1  p
 0.16536110000       1.0000000000
   1  p
 0.83493100000E-01   1.0000000000
   2  d
  121.13078620      0.24263641220
  45.336815900      0.97011729780
   1  d
  18.062322600       1.0000000000
   1  d
  7.6218265000       1.0000000000
   1  d
  3.3857032000       1.0000000000
   1  d
  1.5717380000       1.0000000000
   1  d
 0.75614540000       1.0000000000
   1  d
 0.37346170000       1.0000000000
   1  d
 0.18744900000       1.0000000000
   1  d
 0.94597000000E-01   1.0000000000
   1  f
  6.0884261000      0.88039792290
   1  f
  1.7078374000      0.47423569810
   1  f
 0.72972990000       1.0000000000
   1  f
 0.25826460000       1.0000000000
   1  g
 0.82094560000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element S 

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
s def2-SVP
*
   4  s
  3681.2546546      0.12341736510
  1517.4576115      0.13223165500
  655.47777570      0.44181606220
  296.27992100      0.63000228080
   1  s
  139.89368490      0.61251827460
   1  s
  68.857461400       1.0000000000
   1  s
  35.246371600       1.0000000000
   1  s
  18.710436800       1.0000000000
   1  s
  10.268200700       1.0000000000
   1  s
  5.8052483000       1.0000000000
   1  s
  3.3680961000       1.0000000000
   1  s
  1.9969333000       1.0000000000
   1  s
  1.2045075000       1.0000000000
   1  s
 0.73564560000       1.0000000000
   1  s
 0.45269780000       1.0000000000
   1  s
 0.27928470000       1.0000000000
   2  p
  559.06821640      0.31678690640
  207.16076030      0.94849673480
   1  p
  80.853768600       1.0000000000
   1  p
  33.136945000       1.0000000000
   1  p
  14.208539100       1.0000000000
   1  p
  6.3466236000       1.0000000000
   1  p
  2.9386601000       1.0000000000
   1  p
  1.4026898000       1.0000000000
   1  p
 0.68600930000       1.0000000000
   1  p
 0.34150630000       1.0000000000
   1  p
 0.17185180000       1.0000000000
   1  p
 0.86792600000E-01   1.0000000000
   2  d
  141.18113580      0.23918518410
  46.755847400      0.97097396860
   1  d
  19.311427100       1.0000000000
   1  d
  8.5935318000       1.0000000000
   1  d
  3.6964401000       1.0000000000
   1  d
  1.7159205000       1.0000000000
   1  d
 0.82562560000       1.0000000000
   1  d
 0.40789130000       1.0000000000
   1  d
 0.20480440000       1.0000000000
   1  d
 0.10339610000       1.0000000000
   1  f
  6.4406970000       1.0000000000
   1  f
  1.4844098000       1.0000000000
   1  f
 0.76197370000       1.0000000000
   1  f
 0.30601450000       1.0000000000
   1  g
 0.85880130000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Cl

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
cl def2-SVP
*
   4  s
  4314.4923040      0.11395213560
  1746.8053292      0.13979051200
  742.28921990      0.43542717540
  330.60508710      0.64677864890
   1  s
  154.06627040      0.59962828300
   1  s
  74.966927200       1.0000000000
   1  s
  37.995926200       1.0000000000
   1  s
  20.002388300       1.0000000000
   1  s
  10.901937200       1.0000000000
   1  s
  6.1295625000       1.0000000000
   1  s
  3.5409446000       1.0000000000
   1  s
  2.0925534000       1.0000000000
   1  s
  1.2591195000       1.0000000000
   1  s
 0.76760920000       1.0000000000
   1  s
 0.47169260000       1.0000000000
   1  s
 0.29062480000       1.0000000000
   2  p
  608.03169010      0.15995124160
  222.27188910      0.48790754470
   1  p
  85.750427500      0.85811527670
   1  p
  34.805163700       1.0000000000
   1  p
  14.807711900       1.0000000000
   1  p
  6.5744146000       1.0000000000
   1  p
  3.0306998000       1.0000000000
   1  p
  1.4422826000       1.0000000000
   1  p
 0.70407760000       1.0000000000
   1  p
 0.35016190000       1.0000000000
   1  p
 0.17613150000       1.0000000000
   1  p
 0.88932000000E-01   1.0000000000
   2  d
  195.87623440      0.20462580500
  65.640547600      0.97884027290
   1  d
  27.113701200       1.0000000000
   1  d
  12.122090900       1.0000000000
   1  d
  5.5641243000       1.0000000000
   1  d
  2.5442859000       1.0000000000
   1  d
  1.1902538000       1.0000000000
   1  d
 0.56614650000       1.0000000000
   1  d
 0.27202310000       1.0000000000
   1  d
 0.13114600000       1.0000000000
   1  f
  8.5310850000       1.0000000000
   1  f
  2.4197055000       1.0000000000
   1  f
 0.89229250000       1.0000000000
   1  f
 0.35520240000       1.0000000000
   1  g
  1.0319843000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Ar

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
ar def2-SVP
*
   4  s
  5263.6806109      0.11395213560
  2131.1025016      0.13979051200
  905.59284828      0.43542717540
  403.33820626      0.64677864890
   1  s
  187.96084989      0.59962828300
   1  s
  91.459651184       1.0000000000
   1  s
  46.355029964       1.0000000000
   1  s
  24.402913726       1.0000000000
   1  s
  13.300363384       1.0000000000
   1  s
  7.4780662500       1.0000000000
   1  s
  4.3199524120       1.0000000000
   1  s
  2.5529151480       1.0000000000
   1  s
  1.5361257900       1.0000000000
   1  s
 0.93648322400       1.0000000000
   1  s
 0.57546497200       1.0000000000
   1  s
 0.35456225600       1.0000000000
   2  p
  741.79866192      0.15995124160
  271.17170470      0.48790754470
   1  p
  104.61552155      0.85811527670
   1  p
  42.462299714       1.0000000000
   1  p
  18.065408518       1.0000000000
   1  p
  8.0207858120       1.0000000000
   1  p
  3.6974537560       1.0000000000
   1  p
  1.7595847720       1.0000000000
   1  p
 0.85897467200       1.0000000000
   1  p
 0.42719751800       1.0000000000
   1  p
 0.21488043000       1.0000000000
   1  p
 0.10849704000       1.0000000000
   2  d
  238.96900597      0.20462580500
  80.081468072      0.97884027290
   1  d
  33.078715464       1.0000000000
   1  d
  14.788950898       1.0000000000
   1  d
  6.7882316460       1.0000000000
   1  d
  3.1040287980       1.0000000000
   1  d
  1.4521096360       1.0000000000
   1  d
 0.69069873000       1.0000000000
   1  d
 0.33186818200       1.0000000000
   1  d
 0.15999812000       1.0000000000
   1  f
  10.407923700       1.0000000000
   1  f
  2.9520407100       1.0000000000
   1  f
  1.0885968500       1.0000000000
   1  f
 0.43334692800       1.0000000000
   1  g
  1.2590208460       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element K 

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
k def2-SVP
*
   4  s
  8556.7117611      0.58244999200E-01
  2844.1309483      0.16027104650
  1000.6358930      0.48260690130
  372.42375120      0.85907583520
   1  s
  146.50571650       1.0000000000
   1  s
  60.841537500       1.0000000000
   1  s
  26.630471400       1.0000000000
   1  s
  12.260505700       1.0000000000
   1  s
  5.9224570000       1.0000000000
   1  s
  2.9926280000       1.0000000000
   1  s
  1.5762429000       1.0000000000
   1  s
 0.86186480000       1.0000000000
   1  s
 0.48695920000       1.0000000000
   1  s
 0.28284750000       1.0000000000
   1  s
 0.16795210000       1.0000000000
   1  s
 0.10134170000       1.0000000000
   1  s
 0.61748500000E-01   1.0000000000
   1  s
 0.37747400000E-01   1.0000000000
   4  p
  1052.6413867      0.10187743430
  434.19186590      0.24748061630
  184.49004820      0.64811684610
  80.607808000      0.71296485660
   1  p
  36.144274300       1.0000000000
   1  p
  16.596960700       1.0000000000
   1  p
  7.7864208000       1.0000000000
   1  p
  3.7229718000       1.0000000000
   1  p
  1.8094243000       1.0000000000
   1  p
 0.89142900000       1.0000000000
   1  p
 0.44388920000       1.0000000000
   1  p
 0.22274520000       1.0000000000
   1  p
 0.11229550000       1.0000000000
   1  p
 0.56701100000E-01   1.0000000000
   3  d
  245.92482630      0.10213111050
  101.57598500      0.36732203880
  43.458576900      0.92446944570
   1  d
  19.209577200       1.0000000000
   1  d
  8.7467662000       1.0000000000
   1  d
  4.0894440000       1.0000000000
   1  d
  1.9563381000       1.0000000000
   1  d
 0.95400030000       1.0000000000
   1  d
 0.47232430000       1.0000000000
   1  d
 0.23642810000       1.0000000000
   1  d
 0.11913610000       1.0000000000
   1  d
 0.60166400000E-01   1.0000000000
   1  f
  7.2556601000       1.0000000000
   1  f
  1.8118642000       1.0000000000
   1  f
 0.56214450000       1.0000000000
   1  f
 0.24760530000       1.0000000000
   1  f
 0.69923000000E-01   1.0000000000
   1  g
  5.3806511000       1.0000000000
   1  g
  1.7935531000       1.0000000000
   1  g
 0.59785110000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Ca

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
ca def2-SVP
*
   4  s
  8607.0407970      0.93304673100E-01
  2377.1114469      0.22163472340
  1016.7996376      0.49030177960
  426.24795940      0.83772098710
   1  s
  186.67611640       1.0000000000
   1  s
  85.428409300       1.0000000000
   1  s
  40.959701100       1.0000000000
   1  s
  20.206722100       1.0000000000
   1  s
  9.4283304000       1.0000000000
   1  s
  5.5105726000       1.0000000000
   1  s
  3.0283137000       1.0000000000
   1  s
  1.7139817000       1.0000000000
   1  s
 0.99528170000       1.0000000000
   1  s
 0.59049080000       1.0000000000
   1  s
 0.35634930000       1.0000000000
   1  s
 0.21772060000       1.0000000000
   1  s
 0.13536080000       1.0000000000
   1  s
 0.84369500000E-01   1.0000000000
   4  p
  1138.8086874      0.10492245550
  474.01597370      0.25063279170
  202.99877500      0.65172076050
  89.287994000      0.70812042230
   1  p
  40.258820000       1.0000000000
   1  p
  18.569298900       1.0000000000
   1  p
  8.7423026000       1.0000000000
   1  p
  4.1909850000       1.0000000000
   1  p
  2.0406572000       1.0000000000
   1  p
  1.0065546000       1.0000000000
   1  p
 0.50155820000       1.0000000000
   1  p
 0.25176060000       1.0000000000
   1  p
 0.12693310000       1.0000000000
   1  p
 0.64092100000E-01   1.0000000000
   3  d
  272.63616470      0.10333704740
  113.76137110      0.36782241050
  49.089723300      0.92413642340
   1  d
  21.850638400       1.0000000000
   1  d
  10.004316700       1.0000000000
   1  d
  4.6969297000       1.0000000000
   1  d
  2.2536441000       1.0000000000
   1  d
  1.1011330000       1.0000000000
   1  d
 0.54579060000       1.0000000000
   1  d
 0.27335000000       1.0000000000
   1  d
 0.13776500000       1.0000000000
   1  d
 0.69577900000E-01   1.0000000000
   1  f
  20.718704800      0.78357965670
   1  f
  6.5897516000      0.62129133390
   1  f
  2.1054414000       1.0000000000
   1  f
 0.71674930000       1.0000000000
   1  f
 0.26329690000       1.0000000000
   1  g
  7.1749170000       1.0000000000
   1  g
  2.3916390000       1.0000000000
   1  g
 0.79721300000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Sc

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
sc def2-SVP
*
   4  s
  7401.1069718      0.10136123270
  3076.1548162      0.10934157160
  1328.0304837      0.39031309750
  594.96143470      0.59960760670
   1  s
  276.29431170      0.68256627890
   1  s
  132.83215310       1.0000000000
   1  s
  66.015927800       1.0000000000
   1  s
  33.860365000       1.0000000000
   1  s
  17.890798300       1.0000000000
   1  s
  9.7179410000       1.0000000000
   1  s
  5.4143983000       1.0000000000
   1  s
  3.0867257000       1.0000000000
   1  s
  1.7958801000       1.0000000000
   1  s
  1.0633404000       1.0000000000
   1  s
 0.63885040000       1.0000000000
   1  s
 0.38825360000       1.0000000000
   1  s
 0.23792000000       1.0000000000
   1  s
 0.14652800000       1.0000000000
   1  s
 0.90393500000E-01   1.0000000000
   2  p
  1209.5774080      0.10986279520
  503.56648730      0.26049312760
   1  p
  215.68862450      0.66851272260
   1  p
  94.882537300      0.68786934540
   1  p
  42.786187200       1.0000000000
   1  p
  19.736853500       1.0000000000
   1  p
  9.2926461000       1.0000000000
   1  p
  4.4550541000       1.0000000000
   1  p
  2.1693187000       1.0000000000
   1  p
  1.0700432000       1.0000000000
   1  p
 0.53320140000       1.0000000000
   1  p
 0.26764580000       1.0000000000
   1  p
 0.13494240000       1.0000000000
   1  p
 0.68136200000E-01   1.0000000000
   2  d
  295.17422230      0.10490731470
  123.07717930      0.37099485380
   1  d
  53.077655100      0.92269023720
   1  d
  23.614136700       1.0000000000
   1  d
  10.807555300       1.0000000000
   1  d
  5.0725646000       1.0000000000
   1  d
  2.4333752000       1.0000000000
   1  d
  1.1887896000       1.0000000000
   1  d
 0.58919350000       1.0000000000
   1  d
 0.29507740000       1.0000000000
   1  d
 0.14871400000       1.0000000000
   1  d
 0.75107700000E-01   1.0000000000
   2  f
  79.221293200      0.16870458270
  28.200961300      0.60310351540
   1  f
  12.096463400      0.77961844100
   1  f
  5.6401105000       1.0000000000
   1  f
  2.6962967000       1.0000000000
   1  f
  1.2813308000       1.0000000000
   1  f
 0.58143880000       1.0000000000
   1  f
 0.32270480000       1.0000000000
   1  f
 0.16241240000       1.0000000000
   1  f
 0.82826600000E-01   1.0000000000
   3  g
  17.888815600      0.10867162460
  7.8402560000      0.34976722770
  3.4365053000      0.69871768760
   1  g
  1.5063762000      0.61452986700
   1  g
 0.66034520000       1.0000000000
   1  g
 0.28948190000       1.0000000000
   1  g
 0.12690420000       1.0000000000
   1  h
  4.1350994700       1.0000000000
   1  h
  1.5669712533       1.0000000000
   1  h
 0.59379440000       1.0000000000
   1  i
  2.5455023078       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Ti

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
ti def2-SVP
*
   4  s
  7483.6549554      0.11219563360
  3143.3098572      0.11488472220
  1369.9603810      0.40723251270
  618.96156900      0.60995998370
   1  s
  289.58317520      0.66054836250
   1  s
  140.11465850       1.0000000000
   1  s
  70.010802100       1.0000000000
   1  s
  36.066959100       1.0000000000
   1  s
  19.121763200       1.0000000000
   1  s
  10.412369200       1.0000000000
   1  s
  5.8106202000       1.0000000000
   1  s
  3.3152447000       1.0000000000
   1  s
  1.9289551000       1.0000000000
   1  s
  1.1414713000       1.0000000000
   1  s
 0.68502100000       1.0000000000
   1  s
 0.41566550000       1.0000000000
   1  s
 0.25424150000       1.0000000000
   1  s
 0.15625700000       1.0000000000
   1  s
 0.96190400000E-01   1.0000000000
   2  p
  1275.6414308      0.15438929110
  530.56489100      0.36376500900
   1  p
  227.06575330      0.91860707870
   1  p
  99.817663600       1.0000000000
   1  p
  44.985531800       1.0000000000
   1  p
  20.741665600       1.0000000000
   1  p
  9.7621623000       1.0000000000
   1  p
  4.6788658000       1.0000000000
   1  p
  2.2778600000       1.0000000000
   1  p
  1.1234417000       1.0000000000
   1  p
 0.55977000000       1.0000000000
   1  p
 0.28097320000       1.0000000000
   1  p
 0.14166070000       1.0000000000
   1  p
 0.71528400000E-01   1.0000000000
   2  d
  312.21120990      0.27530572600
  130.06816520      0.96135672730
   1  d
  56.049660900       1.0000000000
   1  d
  24.919738300       1.0000000000
   1  d
  11.398525700       1.0000000000
   1  d
  5.3473043000       1.0000000000
   1  d
  2.5640981000       1.0000000000
   1  d
  1.2522073000       1.0000000000
   1  d
 0.62043580000       1.0000000000
   1  d
 0.31064090000       1.0000000000
   1  d
 0.15651940000       1.0000000000
   1  d
 0.79031000000E-01   1.0000000000
   2  f
  85.392186900      0.18000085170
  30.350058900      0.63909241820
   1  f
  12.891640000      0.74777040220
   1  f
  5.8660783000       1.0000000000
   1  f
  2.8161869000       1.0000000000
   1  f
  1.3447781000       1.0000000000
   1  f
 0.62866980000       1.0000000000
   1  f
 0.34526080000       1.0000000000
   1  f
 0.17377850000       1.0000000000
   1  f
 0.89509300000E-01   1.0000000000
   3  g
  19.107490900      0.14474470890
  7.4952812000      0.49602644430
  3.0969354000      0.73922507140
   1  g
  1.3349679000      0.43191785050
   1  g
 0.59380300000       1.0000000000
   1  g
 0.26927990000       1.0000000000
   1  g
 0.12291320000       1.0000000000
   1  h
  5.0924358243       1.0000000000
   1  h
  1.8927645467       1.0000000000
   1  h
 0.70350570000       1.0000000000
   1  i
  3.1046387849       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element V 

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
v def2-SVP
*
   4  s
  7246.8833410      0.16592394280
  3074.4349276      0.15879327990
  1352.5188411      0.55778705750
  616.41050480      0.79757603900
   1  s
  290.71237050       1.0000000000
   1  s
  141.70051970       1.0000000000
   1  s
  71.280020400       1.0000000000
   1  s
  36.944547700       1.0000000000
   1  s
  19.694221000       1.0000000000
   1  s
  10.776415100       1.0000000000
   1  s
  6.0397647000       1.0000000000
   1  s
  3.4590999000       1.0000000000
   1  s
  2.0193816000       1.0000000000
   1  s
  1.1984875000       1.0000000000
   1  s
 0.72110040000       1.0000000000
   1  s
 0.43857160000       1.0000000000
   1  s
 0.26881970000       1.0000000000
   1  s
 0.16554650000       1.0000000000
   1  s
 0.10210810000       1.0000000000
   2  p
  1334.5791028      0.15790534020
  553.82554000      0.37004282130
   1  p
  236.55796990      0.91549670340
   1  p
  103.81806420       1.0000000000
   1  p
  46.724004200       1.0000000000
   1  p
  21.519248300       1.0000000000
   1  p
  10.119321700       1.0000000000
   1  p
  4.8468888000       1.0000000000
   1  p
  2.3585762000       1.0000000000
   1  p
  1.1629044000       1.0000000000
   1  p
 0.57933470000       1.0000000000
   1  p
 0.29077160000       1.0000000000
   1  p
 0.14659800000       1.0000000000
   1  p
 0.74021400000E-01   1.0000000000
   2  d
  331.18409300      0.27703840200
  137.31450980      0.96085884700
   1  d
  58.935739000       1.0000000000
   1  d
  26.117434700       1.0000000000
   1  d
  11.915653000       1.0000000000
   1  d
  5.5790656000       1.0000000000
   1  d
  2.6715478000       1.0000000000
   1  d
  1.3035104000       1.0000000000
   1  d
 0.64552410000       1.0000000000
   1  d
 0.32312780000       1.0000000000
   1  d
 0.16280160000       1.0000000000
   1  d
 0.82203100000E-01   1.0000000000
   2  f
  93.009121200      0.27383785940
  33.189609100      0.96177587140
   1  f
  14.194728800       1.0000000000
   1  f
  6.5084919000       1.0000000000
   1  f
  3.1108199000       1.0000000000
   1  f
  1.4661582000       1.0000000000
   1  f
 0.65511980000       1.0000000000
   1  f
 0.35943830000       1.0000000000
   1  f
 0.18085550000       1.0000000000
   1  f
 0.93154500000E-01   1.0000000000
   3  g
  32.327836200      0.84655265800E-01
  12.828130900      0.33184414350
  5.7025233000      0.69018933220
   1  g
  2.6423158000      0.63745716420
   1  g
  1.2696260000       1.0000000000
   1  g
 0.63417220000       1.0000000000
   1  g
 0.32308320000       1.0000000000
   1  h
  5.8639406665       1.0000000000
   1  h
  2.0951478556       1.0000000000
   1  h
 0.74858270000       1.0000000000
   1  i
  3.5051137945       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Cr

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
cr def2-SVP
*
   4  s
  8420.8162493      0.15106942110
  3506.0680298      0.15983552740
  1516.0533452      0.54694735650
  680.18718240      0.80776186060
   1  s
  316.28841540       1.0000000000
   1  s
  152.23862580       1.0000000000
   1  s
  75.739045800       1.0000000000
   1  s
  38.882347300       1.0000000000
   1  s
  20.559963800       1.0000000000
   1  s
  11.174887100       1.0000000000
   1  s
  6.2293535000       1.0000000000
   1  s
  3.5527626000       1.0000000000
   1  s
  2.0676498000       1.0000000000
   1  s
  1.2245172000       1.0000000000
   1  s
 0.73578690000       1.0000000000
   1  s
 0.44720090000       1.0000000000
   1  s
 0.27405240000       1.0000000000
   1  s
 0.16878240000       1.0000000000
   1  s
 0.10412230000       1.0000000000
   2  p
  1409.6501487      0.15936964490
  580.39985860      0.37580898920
   1  p
  246.22873860      0.91289042050
   1  p
  107.43978120       1.0000000000
   1  p
  48.122386400       1.0000000000
   1  p
  22.077378200       1.0000000000
   1  p
  10.350294500       1.0000000000
   1  p
  4.9462592000       1.0000000000
   1  p
  2.4030720000       1.0000000000
   1  p
  1.1836106000       1.0000000000
   1  p
 0.58930130000       1.0000000000
   1  p
 0.29569550000       1.0000000000
   1  p
 0.14907060000       1.0000000000
   1  p
 0.75269900000E-01   1.0000000000
   2  d
  350.76509000      0.27710403850
  144.05756800      0.96083992000
   1  d
  61.338769000       1.0000000000
   1  d
  27.005945300       1.0000000000
   1  d
  12.257912100       1.0000000000
   1  d
  5.7171227000       1.0000000000
   1  d
  2.7301298000       1.0000000000
   1  d
  1.3297033000       1.0000000000
   1  d
 0.65782010000       1.0000000000
   1  d
 0.32913100000       1.0000000000
   1  d
 0.16580690000       1.0000000000
   1  d
 0.83720500000E-01   1.0000000000
   2  f
  100.29027630      0.27572359710
  35.476343100      0.96123696250
   1  f
  15.087961200       1.0000000000
   1  f
  6.7782475000       1.0000000000
   1  f
  3.2296397000       1.0000000000
   1  f
  1.5180096000       1.0000000000
   1  f
 0.66572650000       1.0000000000
   1  f
 0.36805350000       1.0000000000
   1  f
 0.18512240000       1.0000000000
   1  f
 0.95352300000E-01   1.0000000000
   3  g
  36.770795100      0.75554041900E-01
  15.236872700      0.32125415810
  6.6534023000      0.69824763400
   1  g
  3.0321668000      0.63524608950
   1  g
  1.4263419000       1.0000000000
   1  g
 0.68417190000       1.0000000000
   1  g
 0.33034490000       1.0000000000
   1  h
  6.6485094388       1.0000000000
   1  h
  2.2860039774       1.0000000000
   1  h
 0.78601290000       1.0000000000
   1  i
  3.8985278017       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Mn

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
mn def2-SVP
*
   4  s
  9788.4866108      0.13660023300
  4008.7557696      0.16334008080
  1707.3467639      0.52938590560
  755.53022200      0.82122527810
   1  s
  346.99674370       1.0000000000
   1  s
  165.19176370       1.0000000000
   1  s
  81.395927300       1.0000000000
   1  s
  41.442134000       1.0000000000
   1  s
  21.761540900       1.0000000000
   1  s
  11.760767100       1.0000000000
   1  s
  6.5264617000       1.0000000000
   1  s
  3.7095620000       1.0000000000
   1  s
  2.1537198000       1.0000000000
   1  s
  1.2735462000       1.0000000000
   1  s
 0.76464930000       1.0000000000
   1  s
 0.46465560000       1.0000000000
   1  s
 0.28481860000       1.0000000000
   1  s
 0.17550210000       1.0000000000
   1  s
 0.10833220000       1.0000000000
   2  p
  1463.0145205      0.39413987870
  602.83382780      0.91905046440
   1  p
  255.91596090       1.0000000000
   1  p
  111.72974550       1.0000000000
   1  p
  50.067349400       1.0000000000
   1  p
  22.978402400       1.0000000000
   1  p
  10.775912200       1.0000000000
   1  p
  5.1508015000       1.0000000000
   1  p
  2.5028391000       1.0000000000
   1  p
  1.2328755000       1.0000000000
   1  p
 0.61386510000       1.0000000000
   1  p
 0.30802890000       1.0000000000
   1  p
 0.15528930000       1.0000000000
   1  p
 0.78409900000E-01   1.0000000000
   2  d
  369.60918890      0.27884257680
  151.25024570      0.96033682500
   1  d
  64.206540500       1.0000000000
   1  d
  28.198648800       1.0000000000
   1  d
  12.774280500       1.0000000000
   1  d
  5.9491702000       1.0000000000
   1  d
  2.8379600000       1.0000000000
   1  d
  1.3812747000       1.0000000000
   1  d
 0.68306550000       1.0000000000
   1  d
 0.34170200000       1.0000000000
   1  d
 0.17213230000       1.0000000000
   1  d
 0.86914400000E-01   1.0000000000
   2  f
  106.38625990      0.28225855800
  37.807641300      0.95933836910
   1  f
  16.171535700       1.0000000000
   1  f
  7.2306715000       1.0000000000
   1  f
  3.4170401000       1.0000000000
   1  f
  1.6045253000       1.0000000000
   1  f
 0.70733480000       1.0000000000
   1  f
 0.38576340000       1.0000000000
   1  f
 0.19398950000       1.0000000000
   1  f
 0.99919500000E-01   1.0000000000
   3  g
  42.507457800      0.81593185200E-01
  17.173096300      0.33277631560
  7.7297774000      0.68855138800
   1  g
  3.6090220000      0.63913962640
   1  g
  1.7234279000       1.0000000000
   1  g
 0.87056730000       1.0000000000
   1  g
 0.43931090000       1.0000000000
   1  h
  8.0012528796       1.0000000000
   1  h
  2.6007191764       1.0000000000
   1  h
 0.84734477000       1.0000000000
   1  i
  4.5603442468       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Fe

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
fe def2-SVP
*
   4  s
  10075.767577      0.14076595210
  4123.8141279      0.16775467190
  1755.2510410      0.53356871690
  776.24444640      0.81691354570
   1  s
  356.28896950       1.0000000000
   1  s
  169.51058970       1.0000000000
   1  s
  83.472560000       1.0000000000
   1  s
  42.473388400       1.0000000000
   1  s
  22.289446200       1.0000000000
   1  s
  12.038743900       1.0000000000
   1  s
  6.6766745000       1.0000000000
   1  s
  3.7926508000       1.0000000000
   1  s
  2.2006353000       1.0000000000
   1  s
  1.3005078000       1.0000000000
   1  s
 0.78037000000       1.0000000000
   1  s
 0.47392540000       1.0000000000
   1  s
 0.29032740000       1.0000000000
   1  s
 0.17878990000       1.0000000000
   1  s
 0.11029600000       1.0000000000
   2  p
  1528.7316082      0.39391543740
  626.35127810      0.91914668480
   1  p
  264.59724050       1.0000000000
   1  p
  115.03862010       1.0000000000
   1  p
  51.371419200       1.0000000000
   1  p
  23.510732100       1.0000000000
   1  p
  11.001328600       1.0000000000
   1  p
  5.2498923000       1.0000000000
   1  p
  2.5480226000       1.0000000000
   1  p
  1.2541853000       1.0000000000
   1  p
 0.62420750000       1.0000000000
   1  p
 0.31315830000       1.0000000000
   1  p
 0.15786760000       1.0000000000
   1  p
 0.79711800000E-01   1.0000000000
   2  d
  385.99226310      0.27990362280
  156.99926800      0.96002810480
   1  d
  66.308046700       1.0000000000
   1  d
  29.000408700       1.0000000000
   1  d
  13.094271400       1.0000000000
   1  d
  6.0830315000       1.0000000000
   1  d
  2.8966803000       1.0000000000
   1  d
  1.4082242000       1.0000000000
   1  d
 0.69593210000       1.0000000000
   1  d
 0.34803490000       1.0000000000
   1  d
 0.17530930000       1.0000000000
   1  d
 0.88518600000E-01   1.0000000000
   2  f
  112.41100300      0.28889166410
  40.062476500      0.95736179500
   1  f
  17.195275900       1.0000000000
   1  f
  7.6948910000       1.0000000000
   1  f
  3.6191544000       1.0000000000
   1  f
  1.6841143000       1.0000000000
   1  f
 0.74224540000       1.0000000000
   1  f
 0.39759780000       1.0000000000
   1  f
 0.19990660000       1.0000000000
   1  f
 0.10297590000       1.0000000000
   3  g
  46.935837700      0.87702944600E-01
  19.023965700      0.34588764800
  8.5803671000      0.70400378750
   1  g
  4.0100647000      0.61404282880
   1  g
  1.9343461000       1.0000000000
   1  g
 0.96704210000       1.0000000000
   1  g
 0.49258230000       1.0000000000
   1  h
  9.3539962852       1.0000000000
   1  h
  2.9154343657       1.0000000000
   1  h
 0.90867660000       1.0000000000
   1  i
  5.2221606857       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Co

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
co def2-SVP
*
   4  s
  10681.945622      0.13552329820
  4311.8060438      0.17551538050
  1811.9989277      0.53427667190
  792.05259070      0.81570596710
   1  s
  359.73086030       1.0000000000
   1  s
  169.54159720       1.0000000000
   1  s
  82.795918500       1.0000000000
   1  s
  41.825610800       1.0000000000
   1  s
  21.814586300       1.0000000000
   1  s
  11.721831700       1.0000000000
   1  s
  6.4738351000       1.0000000000
   1  s
  3.6654054000       1.0000000000
   1  s
  2.1215801000       1.0000000000
   1  s
  1.2516094000       1.0000000000
   1  s
 0.75017970000       1.0000000000
   1  s
 0.45529730000       1.0000000000
   1  s
 0.27883520000       1.0000000000
   1  s
 0.17170030000       1.0000000000
   1  s
 0.10592240000       1.0000000000
   2  p
  1557.7963751      0.39243862140
  630.15607020      0.91977819520
   1  p
  263.27137260       1.0000000000
   1  p
  113.38767640       1.0000000000
   1  p
  50.238102000       1.0000000000
   1  p
  22.846201700       1.0000000000
   1  p
  10.637216400       1.0000000000
   1  p
  5.0571995000       1.0000000000
   1  p
  2.4480253000       1.0000000000
   1  p
  1.2028999000       1.0000000000
   1  p
 0.59809880000       1.0000000000
   1  p
 0.29992870000       1.0000000000
   1  p
 0.15118180000       1.0000000000
   1  p
 0.76335900000E-01   1.0000000000
   2  d
  392.17544220      0.28142678680
  158.05977040      0.95958270290
   1  d
  66.244486300       1.0000000000
   1  d
  28.791345800       1.0000000000
   1  d
  12.935822500       1.0000000000
   1  d
  5.9871856000       1.0000000000
   1  d
  2.8436179000       1.0000000000
   1  d
  1.3801307000       1.0000000000
   1  d
 0.68143440000       1.0000000000
   1  d
 0.34066860000       1.0000000000
   1  d
 0.17159930000       1.0000000000
   1  d
 0.86655500000E-01   1.0000000000
   2  f
  117.41445380      0.29955181600
  41.781685800      0.95408003310
   1  f
  17.978471400       1.0000000000
   1  f
  7.9363928000       1.0000000000
   1  f
  3.6932116000       1.0000000000
   1  f
  1.6914194000       1.0000000000
   1  f
 0.72996190000       1.0000000000
   1  f
 0.38917750000       1.0000000000
   1  f
 0.19299360000       1.0000000000
   1  f
 0.98037900000E-01   1.0000000000
   3  g
  44.977435600      0.12680357770
  18.760541600      0.47555476860
  8.0865939000      0.87049900330
   1  g
  3.5786396000       1.0000000000
   1  g
  1.6144489000       1.0000000000
   1  g
 0.73692160000       1.0000000000
   1  g
 0.33769800000       1.0000000000
   1  h
  9.3259890859       1.0000000000
   1  h
  2.8245402122       1.0000000000
   1  h
 0.85546180000       1.0000000000
   1  i
  5.1324098815       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Ni

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
ni def2-SVP
*
   4  s
  12568.452328      0.12515013080
  5031.5531517      0.17092277490
  2098.4934844      0.51805781970
  910.98513100      0.82869713720
   1  s
  411.19404270       1.0000000000
   1  s
  192.73602100       1.0000000000
   1  s
  93.673677200       1.0000000000
   1  s
  47.127397300       1.0000000000
   1  s
  24.495927800       1.0000000000
   1  s
  13.126245700       1.0000000000
   1  s
  7.2339005000       1.0000000000
   1  s
  4.0892890000       1.0000000000
   1  s
  2.3644300000       1.0000000000
   1  s
  1.3940447000       1.0000000000
   1  s
 0.83537850000       1.0000000000
   1  s
 0.50705910000       1.0000000000
   1  s
 0.31063870000       1.0000000000
   1  s
 0.19137440000       1.0000000000
   1  s
 0.11812050000       1.0000000000
   2  p
  1651.5234335      0.39749632470
  673.15399300      0.91760376630
   1  p
  283.09073860       1.0000000000
   1  p
  122.60824210       1.0000000000
   1  p
  54.577349600       1.0000000000
   1  p
  24.913518100       1.0000000000
   1  p
  11.634173100       1.0000000000
   1  p
  5.5434784000       1.0000000000
   1  p
  2.6876339000       1.0000000000
   1  p
  1.3219852000       1.0000000000
   1  p
 0.65769130000       1.0000000000
   1  p
 0.32989830000       1.0000000000
   1  p
 0.16629910000       1.0000000000
   1  p
 0.83969000000E-01   1.0000000000
   2  d
  417.59552060      0.28338189590
  168.75330100      0.95900714340
   1  d
  70.883582100       1.0000000000
   1  d
  30.863071400       1.0000000000
   1  d
  13.886051200       1.0000000000
   1  d
  6.4336096000       1.0000000000
   1  d
  3.0577866000       1.0000000000
   1  d
  1.4846949000       1.0000000000
   1  d
 0.73320040000       1.0000000000
   1  d
 0.36655520000       1.0000000000
   1  d
 0.18462330000       1.0000000000
   1  d
 0.93221500000E-01   1.0000000000
   2  f
  132.27406500      0.29045405150
  47.418487200      0.95688894020
   1  f
  20.435010900       1.0000000000
   1  f
  9.1185153000       1.0000000000
   1  f
  4.2551704000       1.0000000000
   1  f
  1.9454244000       1.0000000000
   1  f
 0.85902690000       1.0000000000
   1  f
 0.44647560000       1.0000000000
   1  f
 0.22041730000       1.0000000000
   1  f
 0.11143380000       1.0000000000
   3  g
  55.100511900      0.10697581900
  21.336895200      0.41915892300
  9.5934350000      0.69684773090
   1  g
  4.4292164000      0.57207098450
   1  g
  2.0409024000       1.0000000000
   1  g
 0.98787700000       1.0000000000
   1  g
 0.47654720000       1.0000000000
   1  h
  11.449128764       1.0000000000
   1  h
  3.4665509924       1.0000000000
   1  h
  1.0495974000       1.0000000000
   1  i
  6.2999197358       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Cu

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
cu def2-SVP
*
   4  s
  13154.773788      0.12483602180
  5234.9469050      0.17466952170
  2171.2439054      0.52085031890
  937.75342990      0.82620909650
   1  s
  421.29720250       1.0000000000
   1  s
  196.63377300       1.0000000000
   1  s
  95.203923000       1.0000000000
   1  s
  47.735237700       1.0000000000
   1  s
  24.738302000       1.0000000000
   1  s
  13.222158000       1.0000000000
   1  s
  7.2708750000       1.0000000000
   1  s
  4.1026961000       1.0000000000
   1  s
  2.3686256000       1.0000000000
   1  s
  1.3948246000       1.0000000000
   1  s
 0.83503510000       1.0000000000
   1  s
 0.50645760000       1.0000000000
   1  s
 0.31007380000       1.0000000000
   1  s
 0.19092190000       1.0000000000
   1  s
 0.11778020000       1.0000000000
   2  p
  1699.9508358      0.39833009820
  688.60457270      0.91724213430
   1  p
  288.03329660       1.0000000000
   1  p
  124.17826200       1.0000000000
   1  p
  55.065566300       1.0000000000
   1  p
  25.058705500       1.0000000000
   1  p
  11.673631800       1.0000000000
   1  p
  5.5521750000       1.0000000000
   1  p
  2.6883929000       1.0000000000
   1  p
  1.3212553000       1.0000000000
   1  p
 0.65701600000       1.0000000000
   1  p
 0.32948950000       1.0000000000
   1  p
 0.16608410000       1.0000000000
   1  p
 0.83860500000E-01   1.0000000000
   2  d
  472.33551230      0.28338189590
  155.38595120      0.95900714340
   1  d
  64.925930900       1.0000000000
   1  d
  29.881915100       1.0000000000
   1  d
  14.804201500       1.0000000000
   1  d
  6.4439904000       1.0000000000
   1  d
  3.0570706000       1.0000000000
   1  d
  1.4825524000       1.0000000000
   1  d
 0.73163360000       1.0000000000
   1  d
 0.36565620000       1.0000000000
   1  d
 0.18415490000       1.0000000000
   1  d
 0.92984300000E-01   1.0000000000
   2  f
  139.11186630      0.29681149600
  49.807887700      0.95493608990
   1  f
  21.434763900       1.0000000000
   1  f
  9.4252553000       1.0000000000
   1  f
  4.3346328000       1.0000000000
   1  f
  1.9439700000       1.0000000000
   1  f
 0.87198350000       1.0000000000
   1  f
 0.45251650000       1.0000000000
   1  f
 0.22225260000       1.0000000000
   1  f
 0.11179000000       1.0000000000
   3  g
  58.046159500      0.10697581900
  24.533711400      0.41915892300
  10.736122100      0.69684773090
   1  g
  4.8310946000       1.0000000000
   1  g
  2.2187485000       1.0000000000
   1  g
  1.0317571000       1.0000000000
   1  g
 0.48179710000       1.0000000000
   1  h
  7.4301842578       1.0000000000
   1  h
  2.6524453098       1.0000000000
   1  h
 0.94687640000       1.0000000000
   1  i
  4.4393870506       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Zn

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
zn def2-SVP
*
   4  s
  13633.685831      0.12135297150
  5322.9270430      0.18178498540
  2169.1328768      0.52752149860
  921.82771570      0.82094381290
   1  s
  408.11919630       1.0000000000
   1  s
  187.99777220       1.0000000000
   1  s
  89.971293900       1.0000000000
   1  s
  44.657502500       1.0000000000
   1  s
  22.944008100       1.0000000000
   1  s
  12.174800500       1.0000000000
   1  s
  6.6556733000       1.0000000000
   1  s
  3.7382364000       1.0000000000
   1  s
  2.1507187000       1.0000000000
   1  s
  1.2633873000       1.0000000000
   1  s
 0.75513570000       1.0000000000
   1  s
 0.45757910000       1.0000000000
   1  s
 0.28003350000       1.0000000000
   1  s
 0.17240730000       1.0000000000
   1  s
 0.10635860000       1.0000000000
   2  p
  1755.8281517      0.39008540930
  694.02439470      0.92077867780
   1  p
  284.19283410       1.0000000000
   1  p
  120.32411410       1.0000000000
   1  p
  52.558510200       1.0000000000
   1  p
  23.628000400       1.0000000000
   1  p
  10.902879900       1.0000000000
   1  p
  5.1489663000       1.0000000000
   1  p
  2.4808533000       1.0000000000
   1  p
  1.2154418000       1.0000000000
   1  p
 0.60338240000       1.0000000000
   1  p
 0.30240390000       1.0000000000
   1  p
 0.15243440000       1.0000000000
   1  p
 0.76986600000E-01   1.0000000000
   2  d
  459.81164380      0.28338189590
  190.05553160      0.95900714340
   1  d
  80.720176200       1.0000000000
   1  d
  35.149680700       1.0000000000
   1  d
  15.655005800       1.0000000000
   1  d
  7.1130249000       1.0000000000
   1  d
  3.2879756000       1.0000000000
   1  d
  1.5417514000       1.0000000000
   1  d
 0.73112810000       1.0000000000
   1  d
 0.34954410000       1.0000000000
   1  d
 0.16793520000       1.0000000000
   1  d
 0.80815500000E-01   1.0000000000
   2  f
  284.50251070      0.72709762400E-01
  106.70709050      0.39582957710
   1  f
  45.159984800      0.91544100650
   1  f
  20.527265400       1.0000000000
   1  f
  9.3305750000       1.0000000000
   1  f
  4.2411704000       1.0000000000
   1  f
  1.8535901000       1.0000000000
   1  f
 0.82538840000       1.0000000000
   1  f
 0.37517650000       1.0000000000
   1  f
 0.65496800000E-01   1.0000000000
   3  g
  63.677919600      0.10697581900
  26.741171300      0.41915892300
  11.706523100      0.69684773090
   1  g
  5.2997701000       1.0000000000
   1  g
  2.4592898000       1.0000000000
   1  g
  1.1585798000       1.0000000000
   1  g
 0.54859560000       1.0000000000
   1  h
  7.6530892578       1.0000000000
   1  h
  2.7320183098       1.0000000000
   1  h
 0.97528269000       1.0000000000
   1  i
  4.5725686506       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Ga

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
ga def2-SVP
*
   4  s
  15084.392895      0.14339727980
  6293.1784189      0.15249165500
  2720.6741623      0.53779354740
  1217.8278876      0.81667717960
   1  s
  563.86853570       1.0000000000
   1  s
  269.75503360       1.0000000000
   1  s
  133.17188140       1.0000000000
   1  s
  67.746990400       1.0000000000
   1  s
  35.458050300       1.0000000000
   1  s
  19.060242700       1.0000000000
   1  s
  10.502685100       1.0000000000
   1  s
  5.9201047000       1.0000000000
   1  s
  3.4060080000       1.0000000000
   1  s
  1.9953272000       1.0000000000
   1  s
  1.1872425000       1.0000000000
   1  s
 0.71560340000       1.0000000000
   1  s
 0.43573000000       1.0000000000
   1  s
 0.26726470000       1.0000000000
   1  s
 0.16465870000       1.0000000000
   1  s
 0.10159420000       1.0000000000
   2  p
  1858.1588882      0.38307038560
  720.06939540      0.92371915630
   1  p
  289.80216120       1.0000000000
   1  p
  120.89235050       1.0000000000
   1  p
  52.153186900       1.0000000000
   1  p
  23.208178600       1.0000000000
   1  p
  10.623103000       1.0000000000
   1  p
  4.9861507000       1.0000000000
   1  p
  2.3917971000       1.0000000000
   1  p
  1.1683332000       1.0000000000
   1  p
 0.57895010000       1.0000000000
   1  p
 0.28988280000       1.0000000000
   1  p
 0.14605970000       1.0000000000
   1  p
 0.73748200000E-01   1.0000000000
   2  d
  626.05947320      0.28630709810
  266.05991910      0.95813790530
   1  d
  116.26815880       1.0000000000
   1  d
  52.144046500       1.0000000000
   1  d
  23.948561400       1.0000000000
   1  d
  11.237719000       1.0000000000
   1  d
  5.3743123000       1.0000000000
   1  d
  2.6125789000       1.0000000000
   1  d
  1.2874019000       1.0000000000
   1  d
 0.64121310000       1.0000000000
   1  d
 0.32183850000       1.0000000000
   1  d
 0.16229110000       1.0000000000
   1  d
 0.81964700000E-01   1.0000000000
   2  f
  293.62891890      0.18177877790
  108.27822690      0.98333945100
   1  f
  45.687331000       1.0000000000
   1  f
  20.766968200       1.0000000000
   1  f
  9.4395308000       1.0000000000
   1  f
  4.2906957000       1.0000000000
   1  f
  1.8661215000       1.0000000000
   1  f
 0.84761480000       1.0000000000
   1  f
 0.38527950000       1.0000000000
   1  f
 0.60287900000E-01   1.0000000000
   2  g
  74.881344200      0.22412126140
  31.932708500      0.97456126550
   1  g
  14.201305200       1.0000000000
   1  g
  6.5335420000       1.0000000000
   1  g
  3.0817932000       1.0000000000
   1  g
  1.4760161000       1.0000000000
   1  g
 0.71057890000       1.0000000000
   1  h
  9.3870333000       1.0000000000
   1  h
  3.1290111000       1.0000000000
   1  h
  1.0430037000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Ge

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
ge def2-SVP
*
   4  s
  16034.583407      0.14440644530
  6706.0420415      0.15204538110
  2905.3506754      0.53794351530
  1302.8414702      0.81648377510
   1  s
  604.12132590       1.0000000000
   1  s
  289.34341170       1.0000000000
   1  s
  142.95932520       1.0000000000
   1  s
  72.762277100       1.0000000000
   1  s
  38.090031800       1.0000000000
   1  s
  20.472639600       1.0000000000
   1  s
  11.276379500       1.0000000000
   1  s
  6.3519255000       1.0000000000
   1  s
  3.6510716000       1.0000000000
   1  s
  2.1364376000       1.0000000000
   1  s
  1.2694976000       1.0000000000
   1  s
 0.76402850000       1.0000000000
   1  s
 0.46445360000       1.0000000000
   1  s
 0.28438900000       1.0000000000
   1  s
 0.17489480000       1.0000000000
   1  s
 0.10771450000       1.0000000000
   2  p
  2729.8036551      0.16277058470
  1180.1471294      0.35951671430
   1  p
  522.19427510      0.91883266640
   1  p
  236.12998610       1.0000000000
   1  p
  108.93706240       1.0000000000
   1  p
  51.184683800       1.0000000000
   1  p
  24.447404000       1.0000000000
   1  p
  11.846756700       1.0000000000
   1  p
  5.8122820000       1.0000000000
   1  p
  2.8810197000       1.0000000000
   1  p
  1.4395957000       1.0000000000
   1  p
 0.72351650000       1.0000000000
   1  p
 0.36489810000       1.0000000000
   1  p
 0.18424720000       1.0000000000
   2  d
  658.86055710      0.28702693310
  279.21347680      0.95792251240
   1  d
  121.72490050       1.0000000000
   1  d
  54.482822200       1.0000000000
   1  d
  24.982431300       1.0000000000
   1  d
  11.708074200       1.0000000000
   1  d
  5.5939567000       1.0000000000
   1  d
  2.7175312000       1.0000000000
   1  d
  1.3385340000       1.0000000000
   1  d
 0.66651270000       1.0000000000
   1  d
 0.33449810000       1.0000000000
   1  d
 0.16866900000       1.0000000000
   1  d
 0.85185300000E-01   1.0000000000
   2  f
  337.88149020      0.65364934000E-01
  142.90659740      0.33095492310
   1  f
  62.892148200      0.94137997870
   1  f
  28.587339500       1.0000000000
   1  f
  13.124187300       1.0000000000
   1  f
  5.9655395000       1.0000000000
   1  f
  2.6345387000       1.0000000000
   1  f
  1.1331344000       1.0000000000
   1  f
 0.56024970000       1.0000000000
   1  f
 0.25465900000       1.0000000000
   2  g
  77.889874000      0.22982148260
  33.233503700      0.97323280160
   1  g
  14.664659400       1.0000000000
   1  g
  6.6477295000       1.0000000000
   1  g
  3.0735002000       1.0000000000
   1  g
  1.4381707000       1.0000000000
   1  g
 0.67567950000       1.0000000000
   1  h
  9.3945258000       1.0000000000
   1  h
  3.1315082000       1.0000000000
   1  h
  1.0438362000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element As

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
as def2-SVP
*
   4  s
  16166.206311      0.14631580410
  7549.9401970      0.53595290100E-01
  3621.1930419      0.41183298420
  1782.2195879      0.47289940380
   1  s
  899.21410950      0.76320310360
   1  s
  464.63275250       1.0000000000
   1  s
  245.59219890       1.0000000000
   1  s
  132.63283580       1.0000000000
   1  s
  73.089252400       1.0000000000
   1  s
  41.040933300       1.0000000000
   1  s
  23.447656500       1.0000000000
   1  s
  13.608832800       1.0000000000
   1  s
  8.0106486000       1.0000000000
   1  s
  4.7741266000       1.0000000000
   1  s
  2.8755746000       1.0000000000
   1  s
  1.7472671000       1.0000000000
   1  s
  1.0689953000       1.0000000000
   1  s
 0.65725630000       1.0000000000
   1  s
 0.40530720000       1.0000000000
   1  s
 0.25018710000       1.0000000000
   2  p
  2866.0997513      0.16254516450
  1234.1755180      0.36166434820
   1  p
  544.24440800      0.91802939420
   1  p
  245.39382890       1.0000000000
   1  p
  112.94198450       1.0000000000
   1  p
  52.964946500       1.0000000000
   1  p
  25.260048200       1.0000000000
   1  p
  12.226959500       1.0000000000
   1  p
  5.9941338000       1.0000000000
   1  p
  2.9696591000       1.0000000000
   1  p
  1.4834623000       1.0000000000
   1  p
 0.74546760000       1.0000000000
   1  p
 0.37595680000       1.0000000000
   1  p
 0.18983100000       1.0000000000
   2  d
  689.49304890      0.28877268180
  291.75648820      0.95739769070
   1  d
  127.03089860       1.0000000000
   1  d
  56.797475600       1.0000000000
   1  d
  26.021470300       1.0000000000
   1  d
  12.186859100       1.0000000000
   1  d
  5.8198022000       1.0000000000
   1  d
  2.8262531000       1.0000000000
   1  d
  1.3917709000       1.0000000000
   1  d
 0.69293430000       1.0000000000
   1  d
 0.34773960000       1.0000000000
   1  d
 0.17534450000       1.0000000000
   1  d
 0.88557200000E-01   1.0000000000
   2  f
  255.53724480      0.27356107270
  113.01203850      0.96185463530
   1  f
  51.438740200       1.0000000000
   1  f
  24.020590200       1.0000000000
   1  f
  11.468873200       1.0000000000
   1  f
  5.5784122000       1.0000000000
   1  f
  2.7533956000       1.0000000000
   1  f
  1.3735143000       1.0000000000
   1  f
 0.68958100000       1.0000000000
   1  f
 0.34695300000       1.0000000000
   2  g
  99.653849300      0.19204238500
  37.442909700      0.98138663250
   1  g
  16.233159100       1.0000000000
   1  g
  7.3807274000       1.0000000000
   1  g
  3.4534966000       1.0000000000
   1  g
  1.5864066000       1.0000000000
   1  g
 0.64556570000       1.0000000000
   1  h
  9.6994863000       1.0000000000
   1  h
  3.2331621100       1.0000000000
   1  h
  1.0777207000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Se

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
se def2-SVP
*
   4  s
  16815.984018      0.15026093310
  7876.3343642      0.51528326100E-01
  3787.8461342      0.41831261320
  1868.7712507      0.47254509560
   1  s
  944.94788730      0.75926423190
   1  s
  489.21729790       1.0000000000
   1  s
  259.03220620       1.0000000000
   1  s
  140.10082300       1.0000000000
   1  s
  77.303788900       1.0000000000
   1  s
  43.454427700       1.0000000000
   1  s
  24.848672100       1.0000000000
   1  s
  14.432287600       1.0000000000
   1  s
  8.5000817000       1.0000000000
   1  s
  5.0679077000       1.0000000000
   1  s
  3.0534111000       1.0000000000
   1  s
  1.8556719000       1.0000000000
   1  s
  1.1354388000       1.0000000000
   1  s
 0.69814120000       1.0000000000
   1  s
 0.43052460000       1.0000000000
   1  s
 0.26575320000       1.0000000000
   2  p
  2975.3156289      0.16500430840
  1282.6080248      0.36411930490
   1  p
  566.13493430      0.91661917390
   1  p
  255.46720990       1.0000000000
   1  p
  117.65560650       1.0000000000
   1  p
  55.204659200       1.0000000000
   1  p
  26.339069600       1.0000000000
   1  p
  12.753172700       1.0000000000
   1  p
  6.2534560000       1.0000000000
   1  p
  3.0985677000       1.0000000000
   1  p
  1.5479800000       1.0000000000
   1  p
 0.77791660000       1.0000000000
   1  p
 0.39232500000       1.0000000000
   1  p
 0.19809580000       1.0000000000
   2  d
  866.57283680      0.21373884750
  311.48704580      0.97689083580
   1  d
  132.03531990       1.0000000000
   1  d
  60.209780500       1.0000000000
   1  d
  27.691545600       1.0000000000
   1  d
  12.405927900       1.0000000000
   1  d
  6.1052246000       1.0000000000
   1  d
  2.9644177000       1.0000000000
   1  d
  1.4596026000       1.0000000000
   1  d
 0.72660830000       1.0000000000
   1  d
 0.36459100000       1.0000000000
   1  d
 0.18381830000       1.0000000000
   1  d
 0.92825200000E-01   1.0000000000
   2  f
  271.85445940      0.27739752740
  121.69636500      0.96075522990
   1  f
  55.785745300       1.0000000000
   1  f
  26.115694200       1.0000000000
   1  f
  12.449745600       1.0000000000
   1  f
  6.0252518000       1.0000000000
   1  f
  2.9509252000       1.0000000000
   1  f
  1.4577091000       1.0000000000
   1  f
 0.72383030000       1.0000000000
   1  f
 0.36004470000       1.0000000000
   2  g
  100.57878020      0.20006795080
  38.140177200      0.97978202430
   1  g
  16.554291500       1.0000000000
   1  g
  7.4302135000       1.0000000000
   1  g
  3.3447284000       1.0000000000
   1  g
  1.3351146000       1.0000000000
   1  g
 0.61448600000       1.0000000000
   1  h
  9.6679431000       1.0000000000
   1  h
  3.2226477000       1.0000000000
   1  h
  1.0742159000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Br

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
br def2-SVP
*
   4  s
  18095.306651      0.14506290520
  8408.8418054      0.57914268600E-01
  4014.7685139      0.41229943020
  1967.7342548      0.48231698540
   1  s
  989.10621810      0.75695587490
   1  s
  509.37696250       1.0000000000
   1  s
  268.45069660       1.0000000000
   1  s
  144.60619430       1.0000000000
   1  s
  79.512228000       1.0000000000
   1  s
  44.564895700       1.0000000000
   1  s
  25.422121000       1.0000000000
   1  s
  14.736715700       1.0000000000
   1  s
  8.6663048000       1.0000000000
   1  s
  5.1612221000       1.0000000000
   1  s
  3.1071865000       1.0000000000
   1  s
  1.8873939000       1.0000000000
   1  s
  1.1545163000       1.0000000000
   1  s
 0.70978000000       1.0000000000
   1  s
 0.43768780000       1.0000000000
   1  s
 0.27017490000       1.0000000000
   2  p
  3076.1003663      0.16516913640
  1316.0389161      0.36872103550
   1  p
  577.11225560      0.91474802780
   1  p
  258.98790940       1.0000000000
   1  p
  118.73403350       1.0000000000
   1  p
  55.506313200       1.0000000000
   1  p
  26.407304600       1.0000000000
   1  p
  12.758945400       1.0000000000
   1  p
  6.2468981000       1.0000000000
   1  p
  3.0923127000       1.0000000000
   1  p
  1.5440040000       1.0000000000
   1  p
 0.77572730000       1.0000000000
   1  p
 0.39119680000       1.0000000000
   1  p
 0.19752610000       1.0000000000
   2  d
  826.57090330      0.26185277420
  298.35450060      0.96510783060
   1  d
  133.24663470       1.0000000000
   1  d
  63.670862400       1.0000000000
   1  d
  29.183414800       1.0000000000
   1  d
  13.061101800       1.0000000000
   1  d
  6.4290003000       1.0000000000
   1  d
  3.1059673000       1.0000000000
   1  d
  1.5194996000       1.0000000000
   1  d
 0.75074290000       1.0000000000
   1  d
 0.37356830000       1.0000000000
   1  d
 0.18668630000       1.0000000000
   1  d
 0.93428100000E-01   1.0000000000
   2  f
  313.25257010      0.22693818380
  120.08071100      0.97390916450
   1  f
  55.096696300       1.0000000000
   1  f
  27.041381900       1.0000000000
   1  f
  13.017646500       1.0000000000
   1  f
  6.2809991000       1.0000000000
   1  f
  2.8802464000       1.0000000000
   1  f
  1.3853710000       1.0000000000
   1  f
 0.73729230000       1.0000000000
   1  f
 0.36492270000       1.0000000000
   2  g
  112.13741210      0.19755964640
  42.959550200      0.98029086810
   1  g
  18.858800200       1.0000000000
   1  g
  8.5794370000       1.0000000000
   1  g
  3.9274925000       1.0000000000
   1  g
  1.6240220000       1.0000000000
   1  g
 0.76155100000       1.0000000000
   1  h
  9.4347027000       1.0000000000
   1  h
  3.1449009000       1.0000000000
   1  h
  1.0483003000       1.0000000000
*
$end


 Reference(s):  Basis: [20]
...................................

 
Element Kr

 
JKBasis : def2-SVP in Turbomole-Format

 

$jkbas
*
kr def2-SVP
*
   4  s
  20628.649582      0.14506290520
  9586.0796582      0.57914268600E-01
  4576.8361058      0.41229943020
  2243.2170505      0.48231698540
   1  s
  1127.5810886      0.75695587490
   1  s
  580.68973725       1.0000000000
   1  s
  306.03379412       1.0000000000
   1  s
  164.85106150       1.0000000000
   1  s
  90.643939920       1.0000000000
   1  s
  50.803981098       1.0000000000
   1  s
  28.981217940       1.0000000000
   1  s
  16.799855898       1.0000000000
   1  s
  9.8795874720       1.0000000000
   1  s
  5.8837931940       1.0000000000
   1  s
  3.5421926100       1.0000000000
   1  s
  2.1516290460       1.0000000000
   1  s
  1.3161485820       1.0000000000
   1  s
 0.80914920000       1.0000000000
   1  s
 0.49896409200       1.0000000000
   1  s
 0.30799938600       1.0000000000
   2  p
  3506.7544176      0.16516913640
  1500.2843644      0.36872103550
   1  p
  657.90797138      0.91474802780
   1  p
  295.24621672       1.0000000000
   1  p
  135.35679819       1.0000000000
   1  p
  63.277197048       1.0000000000
   1  p
  30.104327244       1.0000000000
   1  p
  14.545197756       1.0000000000
   1  p
  7.1214638340       1.0000000000
   1  p
  3.5252364780       1.0000000000
   1  p
  1.7601645600       1.0000000000
   1  p
 0.88432912200       1.0000000000
   1  p
 0.44596435200       1.0000000000
   1  p
 0.22517975400       1.0000000000
   2  d
  942.29082976      0.26185277420
  340.12413068      0.96510783060
   1  d
  151.90116356       1.0000000000
   1  d
  72.584783136       1.0000000000
   1  d
  33.269092872       1.0000000000
   1  d
  14.889656052       1.0000000000
   1  d
  7.3290603420       1.0000000000
   1  d
  3.5408027220       1.0000000000
   1  d
  1.7322295440       1.0000000000
   1  d
 0.85584690600       1.0000000000
   1  d
 0.42586786200       1.0000000000
   1  d
 0.21282238200       1.0000000000
   1  d
 0.10650803400       1.0000000000
   2  f
  357.10792991      0.22693818380
  136.89201054      0.97390916450
   1  f
  62.810233782       1.0000000000
   1  f
  30.827175366       1.0000000000
   1  f
  14.840117010       1.0000000000
   1  f
  7.1603389740       1.0000000000
   1  f
  3.2834808960       1.0000000000
   1  f
  1.5793229400       1.0000000000
   1  f
 0.84051322200       1.0000000000
   1  f
 0.41601187800       1.0000000000
   2  g
  127.83664979      0.19755964640
  48.973887228      0.98029086810
   1  g
  21.499032228       1.0000000000
   1  g
  9.7805581800       1.0000000000
   1  g
  4.4773414500       1.0000000000
   1  g
  1.8513850800       1.0000000000
   1  g
 0.86816814000       1.0000000000
   1  h
  10.755561078       1.0000000000
   1  h
  3.5851870260       1.0000000000
   1  h
  1.1950623420       1.0000000000
*
$end


