Index: ThirdParty/mpqc_open/lib/basis/6-31g.kv
===================================================================
--- ThirdParty/mpqc_open/lib/basis/6-31g.kv	(revision 860145ede0311b3539e419277d8ca4a3091f40b2)
+++ ThirdParty/mpqc_open/lib/basis/6-31g.kv	(revision 860145ede0311b3539e419277d8ca4a3091f40b2)
@@ -0,0 +1,1076 @@
+%BASIS "6-31G" CARTESIAN
+basis:(
+%Elements                             References
+%--------                             ----------
+% H - He: W.J. Hehre, R. Ditchfield and J.A. Pople, J. Chem. Phys. 56,
+%Li - Ne: 2257 (1972).  Note: Li and B come from J.D. Dill and J.A.
+%         Pople, J. Chem. Phys. 62, 2921 (1975).
+%Na - Ar: M.M. Francl, W.J. Petro, W.J. Hehre, J.S. Binkley, M.S. Gordon,
+%         D.J. DeFrees and J.A. Pople, J. Chem. Phys. 77, 3654 (1982)
+%K  - Zn: V. Rassolov, J.A. Pople, M. Ratner and T.L. Windus, J. Chem. Phys.
+%         109, 1223 (1998)
+%**
+%         Note: He and Ne are unpublished basis sets taken from the Gaussian
+%         program
+%
+%
+% BASIS SET: (4s) -> [2s]
+ hydrogen: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+           18.731137000      0.03349460
+            2.825393700      0.23472695
+            0.640121700      0.81375733
+   })
+  (type: [am = s]
+   {exp coef:0} = {
+            0.161277800      1.00000000
+   })
+ ]
+%
+% BASIS SET: (4s) -> [2s]
+ helium: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+           38.421634000      0.02376600
+            5.778030000      0.15467900
+            1.241774000      0.46963000
+   })
+  (type: [am = s]
+   {exp coef:0} = {
+            0.297964000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (10s,4p) -> [3s,2p]
+ lithium: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+          642.418920000      0.00214260
+           96.798515000      0.01620890
+           22.091121000      0.07731560
+            6.201070300      0.24578600
+            1.935117700      0.47018900
+            0.636735800      0.34547080
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            2.324918400     -0.03509170      0.00894150
+            0.632430600     -0.19123280      0.14100950
+            0.079053400      1.08398780      0.94536370
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.035962000      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (10s,4p) -> [3s,2p]
+ beryllium: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+         1264.585700000      0.00194480
+          189.936810000      0.01483510
+           43.159089000      0.07209060
+           12.098663000      0.23715420
+            3.806323200      0.46919870
+            1.272890300      0.35652020
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            3.196463100     -0.11264870      0.05598020
+            0.747813300     -0.22950640      0.26155060
+            0.219966300      1.18691670      0.79397230
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.082309900      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (10s,4p) -> [3s,2p]
+ boron: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+         2068.882300000      0.00186630
+          310.649570000      0.01425150
+           70.683033000      0.06955160
+           19.861080000      0.23257290
+            6.299304800      0.46707870
+            2.127027000      0.36343140
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            4.727971000     -0.13039380      0.07459760
+            1.190337700     -0.13078890      0.30784670
+            0.359411700      1.13094440      0.74345680
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.126751200      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (10s,4p) -> [3s,2p]
+ carbon: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+         3047.524900000      0.00183470
+          457.369510000      0.01403730
+          103.948690000      0.06884260
+           29.210155000      0.23218440
+            9.286663000      0.46794130
+            3.163927000      0.36231200
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            7.868272400     -0.11933240      0.06899910
+            1.881288500     -0.16085420      0.31642400
+            0.544249300      1.14345640      0.74430830
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.168714400      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (10s,4p) -> [3s,2p]
+ nitrogen: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+         4173.511000000      0.00183480
+          627.457900000      0.01399500
+          142.902100000      0.06858700
+           40.234330000      0.23224100
+           12.820210000      0.46907000
+            4.390437000      0.36045500
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           11.626358000     -0.11496100      0.06758000
+            2.716280000     -0.16911800      0.32390700
+            0.772218000      1.14585200      0.74089500
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.212031300      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (10s,4p) -> [3s,2p]
+ oxygen: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+         5484.671700000      0.00183110
+          825.234950000      0.01395010
+          188.046960000      0.06844510
+           52.964500000      0.23271430
+           16.897570000      0.47019300
+            5.799635300      0.35852090
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           15.539616000     -0.11077750      0.07087430
+            3.599933600     -0.14802630      0.33975280
+            1.013761800      1.13076700      0.72715860
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.270005800      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (10s,4p) -> [3s,2p]
+ fluorine: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+         7001.713090000      0.00181962
+         1051.366090000      0.01391608
+          239.285690000      0.06840532
+           67.397445300      0.23318576
+           21.519957300      0.47126744
+            7.403101300      0.35661855
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           20.847952800     -0.10850698      0.07162872
+            4.808308340     -0.14645166      0.34591210
+            1.344069860      1.12868858      0.72246996
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.358151393      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (10s,4p) -> [3s,2p]
+ neon: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+         8425.851530000      0.00188435
+         1268.519400000      0.01433690
+          289.621414000      0.07010962
+           81.859004000      0.23737327
+           26.251507900      0.47300713
+            9.094720510      0.34840124
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           26.532131000     -0.10711829      0.07190959
+            6.101755010     -0.14616382      0.34951337
+            1.696271530      1.12777350      0.71994051
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.445818700      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (16s,10p) -> [4s,3p]
+ sodium: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+         9993.200000000      0.00193770
+         1499.890000000      0.01480700
+          341.951000000      0.07270600
+           94.679700000      0.25262900
+           29.734500000      0.49324200
+           10.006300000      0.31316900
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          150.963000000     -0.00354210      0.00500170
+           35.587800000     -0.04395900      0.03551100
+           11.168300000     -0.10975210      0.14282500
+            3.902010000      0.18739800      0.33862000
+            1.381770000      0.64669900      0.45157900
+            0.466382000      0.30605800      0.27327100
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.497966000     -0.24850300     -0.02302300
+            0.084353000     -0.13170400      0.95035900
+            0.066635000      1.23352000      0.05985800
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.025954400      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (16s,10p) -> [4s,3p]
+ magnesium: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        11722.800000000      0.00197780
+         1759.930000000      0.01511400
+          400.846000000      0.07391100
+          112.807000000      0.24919100
+           35.999700000      0.48792800
+           12.182800000      0.31966200
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          189.180000000     -0.00323720      0.00492810
+           45.211900000     -0.04100800      0.03498900
+           14.356300000     -0.11260000      0.14072500
+            5.138860000      0.14863300      0.33364200
+            1.906520000      0.61649700      0.44494000
+            0.705887000      0.36482900      0.26925400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.929340000     -0.21229000     -0.02241900
+            0.269035000     -0.10798500      0.19227000
+            0.117379000      1.17584000      0.84618100
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.042106100      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (16s,10p) -> [4s,3p]
+ aluminum: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        13983.100000000      0.00194267
+         2098.750000000      0.01485990
+          477.705000000      0.07284940
+          134.360000000      0.24683000
+           42.870900000      0.48725800
+           14.518900000      0.32349600
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          239.668000000     -0.00292619      0.00460285
+           57.441900000     -0.03740800      0.03319900
+           18.285900000     -0.11448700      0.13628200
+            6.599140000      0.11563500      0.33047600
+            2.490490000      0.61259500      0.44914600
+            0.944540000      0.39379900      0.26570400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.277900000     -0.22760600     -0.01751300
+            0.397590000      0.00144583      0.24453300
+            0.160095000      1.09279000      0.80493400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.055657700      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (16s,10p) -> [4s,3p]
+ silicon: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        16115.900000000      0.00195948
+         2425.580000000      0.01492880
+          553.867000000      0.07284780
+          156.340000000      0.24613000
+           50.068300000      0.48591400
+           17.017800000      0.32500200
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          292.718000000     -0.00278094      0.00443826
+           69.873100000     -0.03571460      0.03266790
+           22.336300000     -0.11498500      0.13472100
+            8.150390000      0.09356340      0.32867800
+            3.134580000      0.60301700      0.44964000
+            1.225430000      0.41895900      0.26137200
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.727380000     -0.24463000     -0.01779510
+            0.572922000      0.00431572      0.25353900
+            0.222192000      1.09818000      0.80066900
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.077836900      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (16s,10p) -> [4s,3p]
+ phosphorus: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        19413.300000000      0.00185160
+         2909.420000000      0.01420620
+          661.364000000      0.06999950
+          185.759000000      0.24007900
+           59.194300000      0.48476200
+           20.031000000      0.33520000
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          339.478000000     -0.00278217      0.00456462
+           81.010100000     -0.03604990      0.03369360
+           25.878000000     -0.11663100      0.13975500
+            9.452210000      0.09683280      0.33936200
+            3.665660000      0.61441800      0.45092100
+            1.467460000      0.40379800      0.23858600
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            2.156230000     -0.25292300     -0.01776530
+            0.748997000      0.03285170      0.27405800
+            0.283145000      1.08125000      0.78542100
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.099831700      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (16s,10p) -> [4s,3p]
+ sulfur: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        21917.100000000      0.00186900
+         3301.490000000      0.01423000
+          754.146000000      0.06969600
+          212.711000000      0.23848700
+           67.989600000      0.48330700
+           23.051500000      0.33807400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          423.735000000     -0.00237670      0.00406100
+          100.710000000     -0.03169300      0.03068100
+           32.159900000     -0.11331700      0.13045200
+           11.807900000      0.05609000      0.32720500
+            4.631100000      0.59225500      0.45285100
+            1.870250000      0.45500600      0.25604200
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            2.615840000     -0.25037400     -0.01451100
+            0.922167000      0.06695700      0.31026300
+            0.341287000      1.05451000      0.75448300
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.117167000      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (16s,10p) -> [4s,3p]
+ chlorine: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        25180.100000000      0.00183300
+         3780.350000000      0.01403400
+          860.474000000      0.06909700
+          242.145000000      0.23745200
+           77.334900000      0.48303400
+           26.247000000      0.33985600
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          491.765000000     -0.00229740      0.00398940
+          116.984000000     -0.03071400      0.03031800
+           37.415300000     -0.11252800      0.12988000
+           13.783400000      0.04501600      0.32795100
+            5.452150000      0.58935300      0.45352700
+            2.225880000      0.46520600      0.25215400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            3.186490000     -0.25183000     -0.01429900
+            1.144270000      0.06158900      0.32357200
+            0.420377000      1.06018000      0.74350700
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.142657000      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (16s,10p) -> [4s,3p]
+ argon: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        28348.300000000      0.00182526
+         4257.620000000      0.01396860
+          969.857000000      0.06870730
+          273.263000000      0.23620400
+           87.369500000      0.48221400
+           29.686700000      0.34204300
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          575.891000000     -0.00215972      0.00380665
+          136.816000000     -0.02907750      0.02923050
+           43.809800000     -0.11082700      0.12646700
+           16.209400000      0.02769990      0.32351000
+            6.460840000      0.57761300      0.45489600
+            2.651140000      0.48868800      0.25663000
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            3.860280000     -0.25559200     -0.01591970
+            1.413730000      0.03780660      0.32464600
+            0.516646000      1.08056000      0.74399000
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.173888000      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p) -> [5s,4p]
+ potassium: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        31594.420000000      0.00182801
+         4744.330000000      0.01399403
+         1080.419000000      0.06887129
+          304.233800000      0.23697600
+           97.245860000      0.48290400
+           33.024950000      0.34047950
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          622.762500000     -0.00250298      0.00409464
+          147.883900000     -0.03315550      0.03145199
+           47.327350000     -0.12263870      0.13515580
+           17.514950000      0.05353643      0.33905000
+            6.922722000      0.61938600      0.46294550
+            2.768277000      0.43458780      0.22426380
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           11.848020000      0.01277689     -0.01221377
+            4.079211000      0.20987670     -0.00690054
+            1.763481000     -0.00309527      0.20074660
+            0.788927000     -0.55938840      0.42813320
+            0.350387000     -0.51347600      0.39701560
+            0.146344000     -0.06598035      0.11047180
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.716801000     -0.05237772      0.03164300
+            0.233741000     -0.27985030     -0.04046160
+            0.038675000      1.14154700      1.01202900
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.016521000      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p) -> [5s,4p]
+ calcium: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        35264.860000000      0.00181350
+         5295.503000000      0.01388493
+         1206.020000000      0.06836162
+          339.683900000      0.23561880
+          108.626400000      0.48206390
+           36.921030000      0.34298190
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          706.309600000      0.00244823      0.00402037
+          167.818700000      0.03241504      0.03100601
+           53.825580000      0.12262190      0.13372790
+           20.016380000     -0.04316965      0.33679830
+            7.970279000     -0.61269950      0.46312810
+            3.212059000     -0.44875400      0.22575320
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           14.195180000      0.01084500     -0.01289621
+            4.880828000      0.20883330     -0.01025198
+            2.160390000      0.03150338      0.19597810
+            0.987899000     -0.55265180      0.43579330
+            0.449517000     -0.54379970      0.39964520
+            0.187387000     -0.06669342      0.09713636
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.032271000     -0.04439720     -0.42986210
+            0.381171000     -0.32845630      0.00693583
+            0.065131000      1.16301000      0.97059330
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.026010000      1.00000000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p,4d) -> [5s,4p,2d]
+ scandium: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        39088.980000000      0.00180326
+         5869.792000000      0.01380769
+         1336.910000000      0.06800396
+          376.603100000      0.23470990
+          120.467900000      0.48156900
+           40.980320000      0.34456520
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          786.285200000      0.00245186      0.00403953
+          186.887000000      0.03259579      0.03122570
+           60.009350000      0.12382420      0.13498330
+           22.258830000     -0.04359890      0.34247930
+            8.885149000     -0.61771810      0.46231130
+            3.609211000     -0.44328230      0.21775240
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           29.843550000     -0.00258630     -0.00609665
+            9.542383000      0.07188424     -0.02628884
+            4.056790000      0.25032600      0.05091001
+            1.704703000     -0.29910030      0.37980970
+            0.706234000     -0.74468180      0.51708830
+            0.279536000     -0.17997760      0.18297720
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.065609000      0.06482978     -0.29384400
+            0.425933000      0.32537560      0.09235323
+            0.076320000     -1.17080600      0.98479300
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.029594000      1.00000000      1.00000000
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+           11.147010000      0.08747672
+            2.821043000      0.37956350
+            0.819620000      0.71803930
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+            0.221468000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p,4d) -> [5s,4p,2d]
+ titanium: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        43152.950000000      0.00179187
+         6479.571000000      0.01372392
+         1475.675000000      0.06762830
+          415.699100000      0.23376420
+          133.000600000      0.48106960
+           45.272220000      0.34622800
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          874.682600000      0.00243101      0.00401768
+          207.978500000      0.03233027      0.03113966
+           66.879180000      0.12425200      0.13490770
+           24.873470000     -0.03903905      0.34316720
+            9.968441000     -0.61717890      0.46257600
+            4.063826000     -0.44730970      0.21546030
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           33.643630000     -0.00294036     -0.00631162
+           10.875650000      0.07163103     -0.02697638
+            4.628225000      0.25289150      0.05316847
+            1.950126000     -0.29664010      0.38455490
+            0.809452000     -0.74322150      0.51276620
+            0.320474000     -0.18535200      0.18111350
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.224148000      0.06351465     -0.21120700
+            0.484263000      0.31514040      0.07771998
+            0.084096000     -1.16259500      0.98982140
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.032036000      1.00000000      1.00000000
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+           13.690850000      0.08589418
+            3.513154000      0.37846710
+            1.040434000      0.71612390
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+            0.286962000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p,4d) -> [5s,4p,2d]
+ vanadium: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        47354.330000000      0.00178451
+         7110.787000000      0.01366754
+         1619.591000000      0.06736122
+          456.337900000      0.23305520
+          146.060600000      0.48063160
+           49.757910000      0.34748020
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+          968.148400000      0.00241060      0.00399500
+          230.282100000      0.03207243      0.03104061
+           74.145910000      0.12459420      0.13477470
+           27.641070000     -0.03482177      0.34372790
+           11.114750000     -0.61673740      0.46287590
+            4.543113000     -0.45098440      0.21355470
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           37.640500000     -0.00323320     -0.00649406
+           12.282380000      0.07130744     -0.02753453
+            5.233366000      0.25438200      0.05516284
+            2.208950000     -0.29338870      0.38796720
+            0.917880000     -0.74156950      0.50902580
+            0.363412000     -0.19094100      0.18038400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.392781000      0.06139703     -0.18912650
+            0.543913000      0.30611300      0.08005453
+            0.091476000     -1.15489000      0.98773990
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.034312000      1.00000000      1.00000000
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+           16.050250000      0.08599899
+            4.160063000      0.38029960
+            1.243265000      0.71276590
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+            0.344277000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p,4d) -> [5s,4p,2d]
+ chromium: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        51789.810000000      0.00177618
+         7776.849000000      0.01360476
+         1771.385000000      0.06706925
+          499.158800000      0.23231040
+          159.798200000      0.48024100
+           54.470210000      0.34876530
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+         1064.328000000      0.00239967      0.00398700
+          253.213800000      0.03194886      0.03104662
+           81.609240000      0.12508680      0.13505180
+           30.481930000     -0.03221866      0.34488650
+           12.294390000     -0.61722840      0.46285710
+            5.037722000     -0.45259360      0.21104260
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           41.562910000     -0.00345422     -0.00672250
+           13.676270000      0.07218428     -0.02806471
+            5.844390000      0.25448200      0.05820028
+            2.471609000     -0.29345340      0.39169880
+            1.028308000     -0.73854550      0.50478230
+            0.407250000     -0.19471570      0.17902900
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.571464000      0.05892219     -0.19301000
+            0.605580000      0.29760550      0.09605620
+            0.098561000     -1.14750600      0.98176090
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.036459000      1.00000000      1.00000000
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+           18.419300000      0.08650816
+            4.812661000      0.38266990
+            1.446447000      0.70937720
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+            0.400413000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p,4d) -> [5s,4p,2d]
+ manganese: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        56347.140000000      0.00177158
+         8460.943000000      0.01357081
+         1927.325000000      0.06690605
+          543.234300000      0.23185410
+          173.990500000      0.47990460
+           59.360050000      0.34957370
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+         1165.412000000      0.00238875      0.00397732
+          277.327600000      0.03181708      0.03103112
+           89.472780000      0.12546700      0.13518940
+           33.482560000     -0.02955431      0.34573870
+           13.540370000     -0.61751600      0.46292050
+            5.557972000     -0.45444580      0.20905920
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           45.835320000     -0.00366586     -0.00688758
+           15.187770000      0.07231971     -0.02846816
+            6.500710000      0.25444860      0.06031832
+            2.751583000     -0.29103800      0.39389610
+            1.145404000     -0.73598600      0.50137690
+            0.453687000     -0.19976170      0.17922640
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.757999000      0.05628572     -0.50350240
+            0.667022000      0.28974910      0.23450110
+            0.105129000     -1.14065300      0.91412570
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.038418000      1.00000000      1.00000000
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+           20.943550000      0.08672702
+            5.510486000      0.38418830
+            1.665038000      0.70690710
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+            0.461733000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p,4d) -> [5s,4p,2d]
+ iron: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        61132.620000000      0.00176611
+         9179.342000000      0.01353038
+         2090.857000000      0.06673128
+          589.247900000      0.23148230
+          188.754300000      0.47970580
+           64.446290000      0.35019760
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+         1259.980000000      0.00243801      0.00402802
+          299.876100000      0.03224048      0.03144647
+           96.849170000      0.12657240      0.13683170
+           36.310200000     -0.03139902      0.34872360
+           14.729960000     -0.62075930      0.46179310
+            6.066075000     -0.45029140      0.20430580
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           50.434850000     -0.00387326     -0.00701713
+           16.839290000      0.07196598     -0.02877660
+            7.192086000      0.25565910      0.06181383
+            3.053420000     -0.28828370      0.39549460
+            1.273643000     -0.73428220      0.49890590
+            0.504091000     -0.20493530      0.17912510
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            1.950316000      0.05694869     -0.45937960
+            0.736721000      0.28829150      0.28521390
+            0.114177000     -1.13815900      0.90764850
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.041148000      1.00000000      1.00000000
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+           23.149940000      0.08876935
+            6.122368000      0.38963190
+            1.846601000      0.70148160
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+            0.504361000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p,4d) -> [5s,4p,2d]
+ cobalt: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        66148.990000000      0.00175979
+         9933.077000000      0.01348162
+         2262.816000000      0.06649342
+          637.915400000      0.23079390
+          204.412200000      0.47929190
+           69.825380000      0.35140970
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+         1378.841000000      0.00237628      0.00397149
+          328.269400000      0.03167450      0.03108174
+          106.094600000      0.12628880      0.13574390
+           39.832750000     -0.02584552      0.34768270
+           16.186220000     -0.61834910      0.46263400
+            6.667788000     -0.45670080      0.20516320
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           54.523550000     -0.00399300     -0.00729077
+           18.297830000      0.07409663     -0.02926027
+            7.867348000      0.25420000      0.06564150
+            3.340534000     -0.29216570      0.40006520
+            1.393756000     -0.73187030      0.49502360
+            0.551326000     -0.20407840      0.17582400
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            2.151947000      0.05379843     -0.21654960
+            0.811063000      0.27599710      0.12404880
+            0.121017000     -1.12969200      0.97240640
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.043037000      1.00000000      1.00000000
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+           25.593060000      0.09004748
+            6.800990000      0.39317030
+            2.051647000      0.69768440
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+            0.555671000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p,4d) -> [5s,4p,2d]
+ nickel: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        71396.350000000      0.00175300
+        10720.840000000      0.01343122
+         2442.129000000      0.06627041
+          688.426500000      0.23025080
+          220.615300000      0.47901860
+           75.393730000      0.35234440
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+         1492.532000000      0.00237071      0.00396755
+          355.401300000      0.03160566      0.03109479
+          114.953400000      0.12663350      0.13595170
+           43.220430000     -0.02417037      0.34851360
+           17.597100000     -0.61877750      0.46254980
+            7.257765000     -0.45767700      0.20351860
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           59.352610000     -0.00416200     -0.00742145
+           20.021810000      0.07425111     -0.02953410
+            8.614561000      0.25413600      0.06731852
+            3.660531000     -0.29034770      0.40166600
+            1.528111000     -0.73021210      0.49266230
+            0.604057000     -0.20760570      0.17568930
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            2.379276000      0.05157888     -0.18876630
+            0.885839000      0.27076110      0.10151990
+            0.128529000     -1.12477000      0.97909060
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.045195000      1.00000000      1.00000000
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+           28.191470000      0.09098881
+            7.523584000      0.39582080
+            2.271228000      0.69471540
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+            0.611603000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p,4d) -> [5s,4p,2d]
+ copper: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        76794.380000000      0.00174816
+        11530.700000000      0.01339602
+         2626.575000000      0.06610885
+          740.490300000      0.22982650
+          237.352800000      0.47876750
+           81.158180000      0.35307390
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+         1610.814000000      0.00236405      0.00396331
+          383.636700000      0.03153635      0.03110223
+          124.173300000      0.12694520      0.13613500
+           46.746780000     -0.02262840      0.34929140
+           19.065690000     -0.61920800      0.46247800
+            7.871567000     -0.45853930      0.20201020
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           64.457320000     -0.00433108     -0.00752373
+           21.852120000      0.07412307     -0.02975687
+            9.405343000      0.25421080      0.06849654
+            3.999168000     -0.28748430      0.40271410
+            1.670297000     -0.72914360      0.49084900
+            0.659627000     -0.21139510      0.17592680
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            2.600088000      0.05027577     -0.17029110
+            0.963094000      0.26500400      0.09310133
+            0.136161000     -1.12015500      0.98143360
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.047332000      1.00000000      1.00000000
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+           30.853410000      0.09199905
+            8.264985000      0.39850210
+            2.495332000      0.69178970
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+            0.667658000      1.00000000
+   })
+ ]
+%
+% BASIS SET: (22s,16p,4d) -> [5s,4p,2d]
+ zinc: "6-31G": [
+  (type: [am = s]
+   {exp coef:0} = {
+        82400.940000000      0.00174333
+        12372.550000000      0.01335966
+         2818.351000000      0.06594365
+          794.571700000      0.22941510
+          254.723200000      0.47854530
+           87.138800000      0.35377530
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+         1732.569000000      0.00236146      0.00396313
+          412.714900000      0.03150177      0.03113411
+          133.678000000      0.12727740      0.13639310
+           50.385850000     -0.02145928      0.35012660
+           20.583580000     -0.61976520      0.46231790
+            8.505940000     -0.45901800      0.20049950
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+           69.364920000     -0.00444010     -0.00768926
+           23.620820000      0.07505253     -0.02997982
+           10.184710000      0.25331110      0.07082411
+            4.334082000     -0.28818970      0.40461410
+            1.810918000     -0.72670520      0.48823250
+            0.714841000     -0.21334390      0.17519700
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            2.823842000      0.04898543     -0.15867630
+            1.039543000      0.25927930      0.08379327
+            0.143264000     -1.11571100      0.98405470
+   })
+  (type: [am = p am = s]
+   {exp coef:1 coef:0} = {
+            0.049296000      1.00000000      1.00000000
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+           33.707640000      0.09262648
+            9.061106000      0.40029800
+            2.738383000      0.68966080
+   })
+  (type: [am = d]
+   {exp coef:0} = {
+            0.730294000      1.00000000
+   })
+ ]
+)
