************************************************************************
* This file is part of OpenMolcas.                                     *
*                                                                      *
* OpenMolcas is free software; you can redistribute it and/or modify   *
* it under the terms of the GNU Lesser General Public License, v. 2.1. *
* OpenMolcas is distributed in the hope that it will be useful, but it *
* is provided "as is" and without any express or implied warranties.   *
* For more details see the full text of the license in the file        *
* LICENSE or in <http://www.gnu.org/licenses/>.                        *
************************************************************************

#Hamiltonian NRH
#Nucleus UNK
#Contraction ANO
#AllElectron AE_

/H.ANO-S.Pierloot.7s3p.4s3p.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
HYDROGEN (7s,3p) -> [6s,3p]
************************************************************************
* H Hydrogen atom.                                                     *
* Basic primitive: Duijneveldt 6s                                      *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            3p 2 optimized for H2 with the third added as an          *
*               eventempered continuation.                             *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              H     0.000  SCF   0.490                                *
*              H2    0.000  SDCI  0.490                                *
*              H-    0.000  SDCI  0.020                                *
************************************************************************
Options
OrbitalEnergies
EndOptions
     1.0   1
* s-type functions
    7    4
         82.63637400
         12.40955800
          2.82385400
          0.79767000
          0.25805300
          0.08989100
          0.03146200
   0.00256413  -0.00460080   0.00757961  -0.03631050
   0.01921261  -0.03244470   0.04861215  -0.34267200
   0.09505118  -0.17107370   0.29093806  -0.51447890
   0.30186782  -0.50486720   0.71017940   2.32834910
   0.48744592  -0.09489200  -0.74284890  -3.74306400
   0.23547943   0.37085551  -0.95670690   3.38777300
   0.01577776   0.65565134   1.29283730  -1.44684400
    1
  -0.49606700
* p-type functions
    3    3
          1.66250000
          0.41560000
          0.10390000
   0.30127706  -0.54399720   1.09987180
   0.68005742  -0.22272810  -1.34447600
   0.19856265   0.95840151   0.79907973
    0

/He.ANO-S.Pierloot.7s3p.4s3p.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
HELIUM (7s,3p) -> [6s,3p]
************************************************************************
* He Helium atom.                                                      *
* Basic primitive: Duijneveldt 6s                                      *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            3p 2 optimized for correlation energy, with 1 added as an *
*               eventempered continuation.                             *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              He    0.000  SDCI  1.000                                *
************************************************************************
Options
OrbitalEnergies
EndOptions
     2.0   1
* s-type functions
    7    4
        233.09250000
         35.02280500
          7.95570200
          2.20278000
          0.66434900
          0.20824500
          0.07288600
   0.00260941  -0.00391100   0.00751951  -0.00541700
   0.01966690  -0.03032490   0.03413599  -0.15230830
   0.09225256  -0.19713680   0.73279322  -1.35397900
   0.27352994  -0.76757560   0.26520947   2.57795320
   0.47654422   0.07121518  -1.77408900  -2.33793400
   0.30155862   0.85518678   1.36169340   1.04849320
   0.00826996   0.00011896  -0.05681720   0.01802187
    1
  -0.91795000
* p-type functions
    3    3
          3.05660000
          0.76220000
          0.19060000
   0.31299579  -1.07940600   0.57446409
   0.74142300   0.66739271  -1.14911300
   0.08473191   0.29174588   1.22640820
    0

/Li.ANO-S.Pierloot.10s4p3d.6s4p3d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
LITHIUM (10s,4p,3d) -> [6s,4p,3d]
************************************************************************
* Li Lithium atom.                                                     *
* Basic primitive: Duijneveldt 9s                                      *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            4p 3 optimized for Li2 with 1 added as an                 *
*               eventempered continuation.                             *
*            3p 2 optimized for Li2 with 1 added as an                 *
*               eventempered continuation.                             *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              Li    0.000  SCF   0.500                                *
*              Li+   0.000  SCF   0.200                                *
*              Li2   0.000  SDCI  0.200                                *
*              Li-2P 0.000  SDCI  0.100                                *
************************************************************************
Options
OrbitalEnergies
EndOptions
     3.0   2
* s-type functions
   10    6
       1359.44660000
        204.02647000
         46.54954100
         13.23259400
          4.28614800
          1.49554200
          0.54223800
          0.07396800
          0.02809500
          0.00983300
   0.00084332  -0.00012520   0.00011373  -0.00174400   0.00054417  -0.00314770
   0.00648439  -0.00096740   0.00107116  -0.01319450   0.00456395  -0.01441940
   0.03245620  -0.00487700   0.00399916  -0.06623100   0.01962287  -0.14246080
   0.11738922  -0.01828690   0.02301931  -0.22179210   0.08329969  -0.11426260
   0.29422268  -0.04918210   0.03432242  -0.50634390   0.13214634  -1.50001600
   0.45040801  -0.09771880   0.17197618  -0.25175750   0.28618802   3.27976430
   0.25470902  -0.13856630   0.10414360   1.40592500  -0.51353770  -2.38570000
   0.01003624   0.58427106  -1.90238400  -1.63311000  -0.95322950   1.23839380
  -0.00296120   0.50352994   1.77303270   1.92419700   2.46958620  -1.04242300
   0.00016396   0.01224613   0.04879476  -1.01987400  -1.92054600   0.38430970
    2
  -2.47773000  -0.19632000
* p-type functions
    4    4
          0.38920000
          0.12170000
          0.03800000
          0.01190000
   0.09431630  -0.12144780   1.13760110  -0.92850550
   0.33326561  -0.95667380  -0.66765860   1.65888720
   0.62301658   0.60468280  -0.42696210  -1.81486200
   0.12579161   0.45796062   0.67539099   1.22573350
    0
* d-type functions
    3    3
          0.34220000
          0.09170000
          0.02460000
   0.19222732  -0.18826510   1.14166200
   0.86623968  -0.43166140  -0.93020530
   0.05202164   1.09574480   0.41641230
    0

/Be.ANO-S.Pierloot.10s4p3d.6s4p3d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
BERYLLIUM (10s,4p,3d) -> [6s,4p,3d]
************************************************************************
* Be Beryllium atom.                                                   *
* Basic primitive: Duijneveldt 9s                                      *
* Augmented: 1s with exponent 0.35x lowest exponent                    *
*            4p 3 optimized for correlation energy with 1 added as an  *
*               eventempered continuation.                             *
*            3d 2 optimized for correlation energy with 1 added as an  *
*               eventempered continuation.                             *
*                                                                      *
* Contraction: State Field Method Weight                               *
*              Be    0.000  SDCI  0.500                                *
*              Be+   0.000  SCF   0.250                                *
*              Be-3P 0.000  SDCI  0.250                                *
************************************************************************
Options
OrbitalEnergies
EndOptions
     4.0   2
* s-type functions
   10    6
       2732.32810000
        410.31981000
         93.67264800
         26.58795700
          8.62956000
          3.05626400
          1.13242400
          0.18173200
          0.05917000
          0.02071000
   0.00074493  -0.00014270   0.00015695  -0.00019240   0.00031124  -0.00157200
   0.00572454  -0.00111400   0.00143307  -0.00397780   0.00436640  -0.00608530
   0.02888438  -0.00556130   0.00562553  -0.00155470   0.00806211  -0.08687220
   0.10711729  -0.02186610   0.03083988  -0.10940190   0.11885124  -0.22553100
   0.28008888  -0.05911290   0.05111532   0.09593658   0.04010088  -1.68924800
   0.44599943  -0.12773970   0.22985975  -1.14786100   1.07077720   3.13025420
   0.28019932  -0.13926130   0.03609057   1.48664380  -1.87967800  -1.85255700
   0.01371755   0.61480583  -1.63906000  -0.05258270   2.00156110   0.72511480
  -0.00591910   0.51190760   1.53424520  -1.35088300  -2.54910500  -0.59189670
   0.00199796  -0.01179390   0.05893078   1.40175790   1.58827290   0.27379324
    2
  -4.73267000  -0.30927000
* p-type functions
    4    4
          1.16770000
          0.36500000
          0.11410000
          0.03570000
   0.08652488  -0.02689880   0.59021034  -1.35014900
   0.32628265  -0.82410120   0.40781985   1.81002380
   0.62511893   0.22668606  -1.32829900  -1.42315700
   0.13750967   0.75535954   1.01858680   0.74512678
    0
* d-type functions
    3    3
          0.54680000
          0.14650000
          0.03930000
   0.27827904  -0.99185120   0.56070455
   0.75227605   0.45942600  -1.01228700
   0.15882957   0.38362412   1.09741510
    0

/B.ANO-S.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
BORON (10s,6p,3d) -> [7s,6p,3d]
Options
OrbitalEnergies
EndOptions
     5.0   2
* s-type functions
   10    7
       3733.33270000
        561.19773000
        128.74655000
         37.05552500
         12.32884200
          4.52443500
          1.75126700
          0.33110600
          0.10371400
          0.03630000
   0.00089506  -0.00018430   0.00017375  -0.00019050   0.00041293  -0.00187830   0.00116412
   0.00685380  -0.00144460   0.00145545  -0.00225320   0.00635331  -0.00633980   0.03455897
   0.03405961  -0.00704580   0.00642290  -0.00544370   0.00871287  -0.10813130   0.08663511
   0.12149824  -0.02726090   0.02889840  -0.05355940   0.17192309  -0.24227060   1.97998620
   0.30003476  -0.06886040   0.05907191  -0.01824500  -0.03603940  -1.72227800  -3.77147600
   0.43780423  -0.14923620   0.18733501  -0.46608710   1.54791940   3.44810130   3.30669990
   0.24612184  -0.11628920   0.05610638   0.44113019  -2.59767000  -2.18826500  -1.55108800
   0.01182080   0.59639270  -1.26619000   1.19192540   2.09166620   0.81648507   0.48391501
  -0.00415550   0.50850220   0.71439434  -2.61304500  -1.80813100  -0.52716250  -0.29517080
   0.00140186   0.02792957   0.63133800   1.85326400   0.82628795   0.19778262   0.10623095
    2
  -7.69533000  -0.49469000
* p-type functions
    6    6
         12.36385400
          2.65599500
          0.76067100
          0.24197800
          0.07787700
          0.02725700
   0.01180214  -0.01012470   0.01264464  -0.04141130   0.10101989  -1.21129500
   0.06978208  -0.04115270  -0.01577980  -0.50275380   1.21626740   1.04933650
   0.25711950  -0.29760930   0.64934680  -0.66870000  -1.73324100  -0.70496880
   0.47791994  -0.42973420   0.05318564   1.61120940   1.53274070   0.41881797
   0.31658558   0.26234690  -1.37582900  -1.44472300  -1.08077100  -0.22209870
   0.15418619   0.76686529   1.15273770   0.68208364   0.47514295   0.08341775
    1
  -0.30986000
* d-type functions
    3    3
          0.84960000
          0.22760000
          0.06100000
   0.26308016  -0.53929260   1.00763000
   0.72852411  -0.20612010  -1.10777300
   0.21600414   0.91037494   0.70734273
    0

/C.ANO-S.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
CARBON (10s,6p,3d) -> [7s,6p,3d]
Options
FockOperator
EndOptions
     6.0   2
* s-type functions
   10    7
       5240.63530000
        782.20479000
        178.35083000
         50.81594200
         16.82356200
          6.17577600
          2.41804900
          0.51190000
          0.15659000
          0.05480600
   0.00093706  -0.00020140   0.00018948  -0.00022130   0.00042114  -0.00185130   0.00065406
   0.00722866  -0.00159130   0.00159917  -0.00256150   0.00571726  -0.00380040   0.04028923
   0.03634370  -0.00785790   0.00715871  -0.00667620   0.01103501  -0.11092070   0.01247219
   0.13062888  -0.03078560   0.03255102  -0.06148740   0.15082677  -0.10540230   2.10839960
   0.31889851  -0.07776050   0.06671215  -0.02620240   0.00978757  -1.97480500  -3.79151100
   0.43907941  -0.16547980   0.21071467  -0.55221090   1.47482510   3.80155600   3.26812080
   0.21447737  -0.09353160   0.01606341   0.61152276  -2.70052100  -2.50156300  -1.57726500
   0.00952912   0.59106791  -1.20608100   1.03609580   2.33424330   0.97136636   0.51261653
  -0.00242230   0.51017985   0.62359190  -2.47804800  -1.99888800  -0.59412260  -0.29469050
   0.00085927   0.03602095   0.67555378   1.78414570   0.93142687   0.22395114   0.10635215
    2
 -11.34753000   0.00023000
   0.00023000  -0.72115700
* p-type functions
    6    6
         18.84180000
          4.15924000
          1.20671000
          0.38554000
          0.12194000
          0.04267900
   0.01363248  -0.01270120   0.02069097  -0.04171980   0.08993877  -1.22560600
   0.08381053  -0.06726640   0.10061256  -0.53777210   1.21269510   1.07677210
   0.28579195  -0.34042310   0.68864029  -0.46133920  -1.79320800  -0.71757430
   0.48641620  -0.37477750  -0.28051270   1.52622660   1.57890200   0.41461270
   0.31476417   0.42284056  -1.04883700  -1.61784700  -1.09372100  -0.21338830
   0.09093437   0.64283912   1.09473120   0.86969045   0.49043497   0.08037852
    1
  -0.43614600
* d-type functions
    3    3
          1.28380000
          0.34400000
          0.09220000
   0.32087885  -0.71785310   0.87024938
   0.72331373   0.09111849  -1.12661300
   0.15721381   0.75422850   0.88445526
    0

/N.ANO-S.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
NITROGEN (10s,6p,3d) -> [7s,6p,3d]
Options
OrbitalEnergies
EndOptions
     7.0   2
* s-type functions
   10    7
       8104.07160000
       1216.02150000
        277.23428000
         76.90402300
         25.87441900
          9.34676700
          3.57979400
          0.73961000
          0.22261700
          0.07791600
   0.00081008  -0.00017930   0.00017387  -0.00019640   0.00036916  -0.00171160   0.00025765
   0.00607657  -0.00137980   0.00144815  -0.00238690   0.00502340  -0.00176180   0.04008086
   0.03209526  -0.00713320   0.00667279  -0.00577780   0.00987330  -0.10412830  -0.02316280
   0.11750256  -0.02849610   0.03158098  -0.06176020   0.13897284  -0.03188970   2.19410150
   0.29374741  -0.07289330   0.06343753  -0.01535280   0.01019490  -2.07378000  -3.71075000
   0.45125423  -0.16846320   0.22203197  -0.59392520   1.46290670   3.72615260   3.01551600
   0.24259813  -0.10488130   0.03023657   0.66203748  -2.61847700  -2.37666300  -1.41292300
   0.01346262   0.58177231  -1.25248200   0.93489260   2.25633600   0.91307821   0.45774248
  -0.00381180   0.52102389   0.70444158  -2.38782900  -1.99016200  -0.56482580  -0.26566200
   0.00138764   0.03664056   0.61000653   1.77732540   0.96469863   0.21744800   0.09742861
    2
 -15.62909000  -0.94531000
* p-type functions
    6    6
         26.86898700
          5.99122700
          1.75084200
          0.56051100
          0.17594800
          0.06158200
   0.01442171  -0.01147820   0.02162618  -0.04061880   0.08572667  -1.23143600
   0.09084742  -0.06512130   0.12643314  -0.47737910   1.24484870   1.08807970
   0.29779552  -0.28965900   0.63908773  -0.56491130  -1.80134600  -0.72103440
   0.48328081  -0.31578720  -0.12620360   1.62049330   1.50855110   0.40811020
   0.30400864   0.21998610  -1.19534300  -1.62037300  -0.97303200  -0.20413800
   0.08993805   0.80897400   1.05942200   0.81259577   0.40744371   0.07535125
    1
  -0.56758000
* d-type functions
    3    3
          1.88620000
          0.50540000
          0.13540000
   0.32849784  -0.68917540   0.89030990
   0.71929892   0.06238867  -1.13086700
   0.15460768   0.78145296   0.86071030
    0

/O.ANO-S.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
OXYGEN (10s,6p,3d) -> [7s,6p,3d]
Options
FockOperator
EndOptions
     8.0   2
* s-type functions
   10    7
      10662.28500000
       1599.70970000
        364.72526000
        103.65179000
         33.90580500
         12.28746900
          4.75680500
          1.00427100
          0.30068600
          0.10524000
   0.00079948  -0.00018130   0.00018443  -0.00019070   0.00036853  -0.00167650   0.00005479
   0.00615339  -0.00143230   0.00161025  -0.00248700   0.00490095  -0.00106180   0.04279731
   0.03115440  -0.00709230   0.00685698  -0.00510760   0.00991395  -0.10266460  -0.05079760
   0.11562007  -0.02872980   0.03444213  -0.06290440   0.12875344   0.01175872   2.18035580
   0.30148406  -0.07719760   0.06845079  -0.01105540   0.03927069  -2.16516700  -3.63105300
   0.44516541  -0.17226950   0.25486215  -0.64045230   1.43108870   3.86624740   2.97021710
   0.24269972  -0.10176170  -0.00227490   0.76159632  -2.62664500  -2.49500600  -1.40335700
   0.01400809   0.58019236  -1.30931700   0.77557971   2.30628190   0.96639458   0.45447793
  -0.00364710   0.52501772   0.84421791  -2.26956300  -2.06238700  -0.59769200  -0.26098790
   0.00135794   0.03453632   0.50287000   1.77643610   1.02307100   0.23350491   0.09613616
    2
 -20.69493200  -0.00067600
  -0.00067600  -1.26615400
* p-type functions
    6    6
         34.85646300
          7.84313100
          2.30826900
          0.72316400
          0.21488200
          0.07520900
   0.01570996  -0.01424700   0.02368790  -0.03762680   0.09085374  -1.23534400
   0.09863258  -0.08242660   0.14966899  -0.46413320   1.24025340   1.10150750
   0.31133806  -0.35079250   0.66715139  -0.46903960  -1.75366500  -0.71899450
   0.48393539  -0.30863690  -0.38684410   1.49751940   1.40854980   0.38970182
   0.30434457   0.43158804  -0.92677110  -1.65396000  -0.91925970  -0.19234940
   0.07410473   0.62126901   1.05389740   0.93962953   0.41489193   0.07430941
    1
  -0.64664500
* d-type functions
    3    3
          2.69500000
          0.72210000
          0.19350000
   0.31690979  -0.72537430   0.86540926
   0.72182059   0.09198569  -1.12735400
   0.16489448   0.74781734   0.88837150
    0

/F.ANO-S.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
FLUORINE (10s,6p,3d) -> [7s,6p,3d]
Options
OrbitalEnergies
EndOptions
     9.0   2
* s-type functions
   10    7
      13521.52300000
       2028.69160000
        462.37392000
        131.37366000
         42.97453100
         15.57144000
          6.03223200
          1.30721500
          0.38886900
          0.13610400
   0.00080075  -0.00018500   0.00019447  -0.00019020   0.00037031  -0.00167060   0.00007014
   0.00616450  -0.00146120   0.00172714  -0.00257130   0.00470412  -0.00020420  -0.04424880
   0.03124160  -0.00724870   0.00717187  -0.00487910   0.01051067  -0.10353980   0.06719790
   0.11610291  -0.02940410   0.03738496  -0.06579410   0.12212404   0.05599021  -2.20679000
   0.30352222  -0.07957190   0.07084437  -0.00433350   0.05682186  -2.24018400   3.61449840
   0.44616899  -0.17704680   0.28523100  -0.68706330   1.38787200   3.95348640  -2.92428900
   0.23867582  -0.09784380  -0.03899170   0.86018088  -2.62211400  -2.57395600   1.38433570
   0.01392675   0.58060437  -1.33044000   0.63037963   2.36274760   1.01393750  -0.45262050
  -0.00330450   0.52689316   0.92497937  -2.15504700  -2.13746000  -0.62544060   0.25639621
   0.00126572   0.03283982   0.43437871   1.75820970   1.08056530   0.24790940  -0.09478450
    2
 -26.38273000  -1.57254000
* p-type functions
    6    6
         44.14730300
          9.99342600
          2.95324600
          0.91859700
          0.26682400
          0.09338800
   0.01656685  -0.01677520   0.02494906  -0.03615470   0.09545632  -1.23805000
   0.10422264  -0.10096200   0.16978293  -0.49635490   1.21982210   1.11357410
   0.31803761  -0.40141880   0.68191384  -0.33469610  -1.74848700  -0.72758970
   0.48073503  -0.26164140  -0.55674300   1.37495570   1.41915830   0.39142655
   0.30922389   0.51835561  -0.72149650  -1.66069900  -0.95975660  -0.19450250
   0.06136998   0.51834038   1.01531350   1.01169440   0.45768655   0.07739612
    1
  -0.73001000
* d-type functions
    3    3
          3.74420000
          1.00320000
          0.26880000
   0.29855241  -0.72943840   0.86849502
   0.72517360   0.07062298  -1.12667500
   0.18152808   0.74700952   0.88574770
    0

/Ne.ANO-S.Pierloot.10s6p3d.7s6p3d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
NEON (10s,6p,3d) -> [7s,6p,3d]
Options
OrbitalEnergies
EndOptions
    10.0   2
* s-type functions
   10    7
      16501.21500000
       2477.76180000
        566.10960000
        161.62854000
         53.29324000
         19.48823400
          7.60176000
          1.63277200
          0.48131500
          0.16846000
   0.00081499  -0.00019000   0.00021772  -0.00025400   0.00043955  -0.00164940   0.00013401
   0.00626094  -0.00149960   0.00201364  -0.00397430   0.00328787  -0.00061420  -0.04547120
   0.03159205  -0.00739450   0.00776521  -0.00511100   0.01814446  -0.10113350   0.07529190
   0.11639840  -0.02985430   0.04409897  -0.10538440   0.07153392   0.04255644  -2.24197000
   0.30184538  -0.07984270   0.07073502   0.03643038   0.25261153  -2.22688700   3.71129820
   0.44222228  -0.17811600   0.34965786  -1.17091300   0.77909459   4.03238950  -3.03990000
   0.24240238  -0.09581310  -0.10959370   1.74658040  -1.96813900  -2.70606500   1.44883840
   0.01519335   0.58014835  -1.43329700  -0.39487370   2.23604320   1.15965280  -0.47987260
  -0.00376280   0.53076702   1.23656020  -1.15140100  -2.59323800  -0.82949570   0.28620830
   0.00144066   0.02758179   0.17477751   1.31570050   1.60343210   0.38890021  -0.11399800
    2
 -32.77248000  -1.93043000
* p-type functions
    6    6
         55.03048200
         12.50119200
          3.69786000
          1.14774100
          0.33105700
          0.11587000
   0.01707052  -0.02473700   0.03437777  -0.07971300   0.11661608  -1.23560100
   0.10800355  -0.15396260   0.41209016  -1.12199100   0.51196489   1.14294380
   0.32273452  -0.61517460   0.59597007   1.36645200  -1.04554500  -0.78255070
   0.47983876  -0.04525030  -1.36866300  -0.65498130   1.36461010   0.46357291
   0.32153532   0.78578685   0.74278265  -0.28246430  -1.76640000  -0.28997550
   0.03090434   0.07446709   0.18059933   0.63604465   1.43812640   0.15599580
    1
  -0.85044000
* d-type functions
    3    3
          5.05850000
          1.35540000
          0.36320000
   0.28150376  -0.77046340   0.83826596
   0.73510065   0.10906382  -1.11720700
   0.18465214   0.70537009   0.91867910
    0

/Na.ANO-S.Pierloot.13s8p3d.6s5p3d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
SODIUM (13s,8p,3d) -> [6s,5p,3d]
Options
OrbitalEnergies
EndOptions
    11.0   2
* s-type functions
   13    6
      36166.41700000
       5372.58370000
       1213.21440000
        339.62319000
        109.55258000
         38.77725400
         14.57590100
          5.26993050
          1.82776920
          0.61994754
          0.05723990
          0.02404774
          0.00841671
   0.00038680  -0.00011200   0.00001512  -0.00001640   0.00001120  -0.00000280
   0.00302741  -0.00087420   0.00011657  -0.00012990   0.00011956  -0.00001160
   0.01582947  -0.00463100   0.00062921  -0.00067630   0.00048106  -0.00004730
   0.06345968  -0.01879070   0.00250114  -0.00282970   0.00412203   0.00080993
   0.19254139  -0.06122810   0.00849776  -0.00902940   0.01598153   0.00813143
   0.39522205  -0.14442120   0.01958498  -0.02316300   0.10314012   0.06050246
   0.38407124  -0.21557320   0.03346671  -0.03395640   0.21753376   0.17397871
   0.08410406   0.03068867  -0.01063990   0.00159024   0.00575686  -0.04758050
   0.02239996   0.59787020  -0.09738020   0.14640304  -1.57181600  -1.04563600
   0.02217786   0.48336268  -0.21463690   0.20758646   1.59284800   1.25534950
   0.00040657   0.02231885   0.63078161  -2.22013400   0.00107849  -1.90760000
  -0.00021480  -0.01070880   0.44916318   2.25857810  -1.04371000   3.09766160
   0.00005604   0.00340329   0.00679003  -0.14304660   1.05752000  -1.96755800
    3
 -40.47850000  -2.79702000  -0.18210000
* p-type functions
    8    5
        147.70791000
         34.38847500
         10.58052400
          3.66594310
          1.28405630
          0.43073526
          0.15075734
          0.05276510
   0.00519565  -0.00069380   0.00094630  -0.00567070   0.00729556
   0.03801759  -0.00487260   0.00913559  -0.03137170   0.11233121
   0.15389418  -0.02119240   0.02763093  -0.19303370   0.19978138
   0.35252423  -0.04501160   0.10452841  -0.17191530   1.12850740
   0.45737381  -0.07294790   0.03340545  -0.71582660  -2.13446800
   0.23864098  -0.01621840   0.52943242   2.02102610   1.63249800
   0.00333081  -0.01094590  -1.88811100  -1.43632200  -0.86491520
   0.00463786   1.01205370   1.18903700   0.48096174   0.28693767
    1
  -1.51814000
* d-type functions
    3    3
          0.13390000
          0.04458000
          0.01560000
   0.66634440  -0.89955880   0.71259230
   0.42875425   0.78426436  -1.42442800
   0.03342085   0.40062327   1.30174880
    0

/Mg.ANO-S.Pierloot.13s8p3d.7s5p3d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
MAGNESIUM (13s,8p,3d) -> [7s,5p,3d]
Options
OrbitalEnergies
EndOptions
    12.0   2
* s-type functions
   13    7
      43866.54300000
       6605.37170000
       1513.25770000
        432.31714000
        142.14930000
         51.39832800
         19.91955200
          8.02474050
          2.50817250
          0.87153140
          0.10818841
          0.04013043
          0.01404565
   0.00037817  -0.00010590   0.00001958  -0.00002110   0.00003349  -0.00006730   0.00024812
   0.00290795  -0.00080900   0.00014884  -0.00016740   0.00033328  -0.00068300   0.00093480
   0.01484120  -0.00420460   0.00078098  -0.00082280   0.00114431  -0.00225770   0.01241179
   0.05819606  -0.01657310   0.00305339  -0.00352080   0.00776135  -0.01606320   0.00882087
   0.17535334  -0.05410900   0.01022444  -0.01043850   0.01136288  -0.02192550   0.22189319
   0.36839318  -0.12756570   0.02411584  -0.02940710   0.07825364  -0.16436360  -0.10375910
   0.39588825  -0.21088100   0.04351933  -0.03926530  -0.00686270   0.02612400   1.79136850
   0.12290938  -0.02603410   0.00272499  -0.02301900   0.20904234  -0.44011810  -3.72815100
   0.01782202   0.57426207  -0.14061580   0.22197981  -0.97284710   2.16981800   3.00043100
   0.01372780   0.53404886  -0.27165620   0.22222783   0.79429938  -2.23355800  -1.32256600
   0.00055577   0.02452562   0.69704775  -1.97339800   0.75107760   1.72616090   0.43924905
  -0.00029740  -0.01355010   0.43175291   1.97353440  -2.22589100  -2.05273100  -0.34413190
   0.00009162   0.00423709  -0.00977410  -0.09688460   1.86354220   1.13500520   0.12272101
    3
 -49.03160000  -3.76760000  -0.25300000
* p-type functions
    8    5
        194.48547000
         45.59617100
         14.18551500
          4.97671740
          1.77758710
          0.61368684
          0.21479039
          0.07517660
   0.00473054  -0.00088720   0.00116791  -0.00405360   0.00508525
   0.03494543  -0.00653870   0.00969343  -0.01495430   0.09646041
   0.14463473  -0.02776790   0.03517827  -0.13993820   0.18225009
   0.34634503  -0.06688410   0.10686378  -0.09664830   1.24616770
   0.46690507  -0.09699320   0.09829434  -0.92045400  -2.18613500
   0.23532994  -0.05820220   0.33001356   2.23407800   1.52721450
   0.00299903   0.27797803  -1.72474000  -1.68536800  -0.75549780
   0.00403308   0.80544690   1.29705640   0.60659130   0.24938219
    1
  -2.28211000
* d-type functions
    3    3
          0.22510000
          0.07458000
          0.02610000
   0.51827487  -1.10153400   0.51829744
   0.55657251   0.96054818  -1.25708000
   0.07760828   0.14176302   1.35212910
    0

/Al.ANO-S.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
ALUMINIUM (13s,10p,4d) -> [7s,7p,4d]
Options
OrbitalEnergies
EndOptions
    13.0   2
* s-type functions
   13    7
      54866.48900000
       8211.76650000
       1866.17610000
        531.12934000
        175.11797000
         64.00550000
         25.29250700
         10.53491000
          3.20671100
          1.15255510
          0.17667755
          0.06523747
          0.02283311
   0.00034983  -0.00010300   0.00002164  -0.00002110   0.00002395  -0.00007450   0.00025688
   0.00272066  -0.00079630   0.00016682  -0.00016650   0.00021937  -0.00074370   0.00107464
   0.01403481  -0.00418180   0.00088113  -0.00084800   0.00088935  -0.00261520   0.01287367
   0.05524271  -0.01652740   0.00347487  -0.00351950   0.00499382  -0.01761040   0.01323504
   0.16626342  -0.05378900   0.01152916  -0.01090350   0.00992475  -0.02641350   0.23745774
   0.35090709  -0.12600080   0.02737742  -0.02874650   0.04749300  -0.17921390  -0.07244690
   0.39425023  -0.21260200   0.04976065  -0.04432750   0.01678490   0.00768929   1.81420610
   0.14802864  -0.05638750   0.01224421  -0.02301600   0.10832719  -0.46355660  -3.74210700
   0.02471625   0.55341872  -0.16500130   0.20969728  -0.53607160   2.45125200   3.06430640
   0.01719912   0.56018666  -0.31736850   0.28008991   0.20632823  -2.60950900  -1.48915400
   0.00114683   0.03041638   0.66326954  -1.68898400   1.58270000   1.81878480   0.54959723
  -0.00060840  -0.01497450   0.47407257   1.23475580  -3.03746800  -1.68766400  -0.40460490
   0.00018615   0.00450279   0.01395324   0.42301134   2.03368610   0.72198693   0.13938180
    3
 -58.50105000  -4.91069000  -0.39430000
* p-type functions
   10    7
        259.28362000
         61.07687000
         19.30323700
          7.01088200
          2.67386530
          1.03659550
          0.31681873
          0.11425682
          0.04139700
          0.01448895
   0.00405644  -0.00070800   0.00073168  -0.00081070   0.00163788  -0.00434620   0.00389240
   0.03046789  -0.00532930   0.00566299  -0.00645950   0.00738838  -0.02213900   0.10531716
   0.12691039  -0.02270620   0.02321295  -0.02499630   0.05549881  -0.15568180   0.17396945
   0.31256744  -0.05682010   0.06168897  -0.07247630   0.06026491  -0.20834800   1.36241100
   0.44041236  -0.08452920   0.08416268  -0.09036660   0.35946498  -0.82669350  -2.59680000
   0.28525600  -0.05577080   0.09324222  -0.18463630  -0.29028280   2.10633770   1.93712600
   0.03385005   0.22696919  -0.46713750   1.05793990  -1.19979600  -2.00271100  -1.07025000
  -0.00556170   0.51595897  -0.46224050  -0.43335780   2.31449110   1.61417320   0.69700454
   0.00261063   0.33064982   0.44837801  -1.00737200  -2.15297000  -1.02214000  -0.37418210
  -0.00077130   0.13298547   0.62654713   1.09071160   1.02314260   0.40594301   0.13136003
    2
  -3.21834000  -0.21002000
* d-type functions
    4    4
          0.49400000
          0.19900000
          0.08040000
          0.02814000
   0.16530459  -0.36233030   0.96606714  -1.22240200
   0.52845425  -0.59889660  -0.57049720   2.12351030
   0.40614667   0.67919078  -0.58585280  -1.92977100
   0.07584475   0.45834805   0.90360256   1.01173610
    0

/Si.ANO-S.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
SILICON (13s,10p,4d) -> [7s,7p,4d]
Options
OrbitalEnergies
EndOptions
    14.0   2
* s-type functions
   13    7
      69379.23000000
      10354.94000000
       2333.87960000
        657.14295000
        214.30113000
         77.62916800
         30.63080700
         12.80129500
          3.92686630
          1.45234330
          0.25623427
          0.09427922
          0.03299773
   0.00031430  -0.00009580   0.00002198  -0.00002200   0.00002595  -0.00007050   0.00023117
   0.00246112  -0.00074600   0.00017102  -0.00017500   0.00024056  -0.00069500   0.00096123
   0.01289918  -0.00397600   0.00091383  -0.00090240   0.00098474  -0.00257710   0.01178162
   0.05173226  -0.01601290   0.00368910  -0.00382730   0.00565307  -0.01679200   0.01207298
   0.15944618  -0.05315750   0.01241648  -0.01206850   0.01148488  -0.02836600   0.21964214
   0.34389338  -0.12708190   0.03041211  -0.03267380   0.05608110  -0.17559740  -0.05537190
   0.39716351  -0.21668050   0.05520493  -0.05089380   0.02085691  -0.02133400   1.86232890
   0.15995279  -0.07200030   0.01903059  -0.03107670   0.13559713  -0.43869760  -3.85216000
   0.02802041   0.54355126  -0.18626700   0.24717573  -0.67014140   2.54024860   3.27306700
   0.01935520   0.57129832  -0.34965950   0.31359808   0.30502246  -2.83589000  -1.70037900
   0.00149858   0.03454841   0.64706351  -1.71335700   1.55878070   2.10800560   0.67128771
  -0.00072250  -0.01488570   0.50607265   1.17353360  -2.99948100  -1.91892200  -0.47611460
   0.00021781   0.00439226   0.01984117   0.46073480   1.99970350   0.82335503   0.16365420
    3
 -68.81239000  -6.15647000  -0.53978000
* p-type functions
   10    7
        335.48319000
         78.90036600
         24.98815000
          9.21971140
          3.62114020
          1.45131010
          0.50497692
          0.18631667
          0.06543200
          0.02290120
   0.00355167  -0.00075430   0.00072254  -0.00081120   0.00175689  -0.00440440   0.00364538
   0.02735944  -0.00584940   0.00584370  -0.00716080   0.01035762  -0.02433880   0.10429729
   0.11651050  -0.02540080   0.02408183  -0.02602880   0.06235657  -0.17118220   0.17205410
   0.29307654  -0.06563300   0.06746591  -0.08731680   0.10762712  -0.24249210   1.43535330
   0.43271640  -0.10081670   0.09059617  -0.08416500   0.33583621  -0.84567690  -2.89535000
   0.30644487  -0.07428110   0.11350243  -0.25318470  -0.21870200   2.36687340   2.40879910
   0.04532671   0.20739590  -0.41431760   1.08913300  -1.34037600  -2.34047500  -1.40096900
  -0.00408360   0.55348706  -0.56391840  -0.39632160   2.31093250   1.71311010   0.79647168
   0.00205424   0.35323342   0.60638687  -1.03017800  -2.05110800  -1.01649000  -0.38708200
  -0.00059210   0.07033424   0.53718746   1.13817920   1.01642370   0.41366772   0.13490364
    2
  -4.25598000  -0.29703000
* d-type functions
    4    4
          0.76000000
          0.30200000
          0.12000000
          0.04200000
   0.16447581  -0.35079870   0.95056374  -1.20244500
   0.55137970  -0.66412230  -0.63025560   2.00885610
   0.40011918   0.84427608  -0.49151710  -1.84313300
   0.04774986   0.32424268   0.91560359   1.04616020
    0

/P.ANO-S.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
PHOSPHORUS (13s,10p,4d) -> [7s,7p,4d]
Options
OrbitalEnergies
EndOptions
    15.0   2
* s-type functions
   13    7
      77492.42900000
      11605.78900000
       2645.96490000
        754.97623000
        248.75468000
         91.15653000
         36.22566800
         15.21131600
          4.71382300
          1.78269480
          0.34252100
          0.12463132
          0.04362096
   0.00032518  -0.00010230   0.00002489  -0.00002460   0.00003013  -0.00007430   0.00024227
   0.00252532  -0.00078980   0.00019245  -0.00019450   0.00027887  -0.00073070   0.00096492
   0.01296084  -0.00412000   0.00100419  -0.00098320   0.00110266  -0.00261320   0.01216502
   0.05124822  -0.01636870   0.00401392  -0.00410890   0.00636913  -0.01716210   0.01039769
   0.15611573  -0.05363560   0.01328425  -0.01282800   0.01237312  -0.02749410   0.22168613
   0.33596028  -0.12772330   0.03267895  -0.03453560   0.06267065  -0.17797790  -0.07374670
   0.39672816  -0.21983370   0.05937822  -0.05513500   0.02231730  -0.02118670   1.93802610
   0.16824218  -0.08371160   0.02486610  -0.03539130   0.15760884  -0.45713150  -3.97582000
   0.03114760   0.53559582  -0.20344440   0.26369142  -0.77063610   2.64389370   3.44991210
   0.02146835   0.58008043  -0.37371780   0.34291814   0.38411716  -3.02289600  -1.85868300
   0.00184428   0.03786600   0.65126598  -1.72117500   1.51573940   2.29076990   0.74626470
  -0.00082680  -0.01469820   0.51781849   1.13286800  -2.94626900  -2.04911500  -0.51031690
   0.00024929   0.00433410   0.02005408   0.48244842   1.97078050   0.88752697   0.17514313
    3
 -79.96965000  -7.51102000  -0.69636000
* p-type functions
   10    7
        384.84336000
         90.55209600
         28.80568500
         10.68837400
          4.25209770
          1.74052770
          0.59789296
          0.22921800
          0.08382797
          0.02933979
   0.00371286  -0.00088540   0.00071307  -0.00107130   0.00198496  -0.00439330   0.00371562
   0.02858920  -0.00681210   0.00565480  -0.00849910   0.01138897  -0.02512730   0.10482803
   0.12115044  -0.02981630   0.02387599  -0.03580430   0.07168491  -0.17094250   0.16296429
   0.30149442  -0.07534020   0.06413837  -0.09798570   0.11472318  -0.25244740   1.47117170
   0.43396899  -0.11725890   0.08966118  -0.13641860   0.37420890  -0.78976040  -3.03073300
   0.29126642  -0.06495730   0.08179338  -0.14416740  -0.39250240   2.35369080   2.55429120
   0.03944607   0.27314187  -0.40260460   1.11079940  -1.17953800  -2.54779000  -1.52557800
  -0.00465470   0.54559533  -0.46181460  -0.47588680   2.37072100   2.03278760   0.92038011
   0.00217623   0.30107521   0.49821888  -1.00615200  -2.17143700  -1.19928600  -0.44388010
  -0.00059910   0.06159326   0.64365420   1.07135800   1.04317520   0.45512730   0.14636610
    2
  -5.40088000  -0.39161000
* d-type functions
    4    4
          1.03600000
          0.41300000
          0.16500000
          0.05775000
   0.16833905  -0.31437130   0.80472039  -1.32152500
   0.54500060  -0.68356060  -0.33666090   2.09353740
   0.40299879   0.81187447  -0.76580600  -1.77737400
   0.04784419   0.37281291   1.02718650   0.92121965
    0

/S.ANO-S.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
SULFUR (13s,10p,4d) -> [7s,7p,4d]
Options
OrbitalEnergies
EndOptions
    16.0   2
* s-type functions
   13    7
      93413.39600000
      13961.65700000
       3169.90980000
        902.45634000
        297.15842000
        108.70201000
         43.15529900
         18.10794800
          5.57047170
          2.14271640
          0.43399430
          0.15701692
          0.05495592
   0.00030244  -0.00009860   0.00002485  -0.00002490   0.00003037  -0.00007060   0.00023203
   0.00235969  -0.00076480   0.00019331  -0.00019750   0.00028736  -0.00069340   0.00088327
   0.01219093  -0.00401540   0.00101312  -0.00100300   0.00111246  -0.00252620   0.01187477
   0.04837344  -0.01598900   0.00407193  -0.00421360   0.00667014  -0.01638190   0.00848638
   0.14872569  -0.05276520   0.01352557  -0.01321190   0.01238555  -0.02721240   0.21838143
   0.32645608  -0.12737880   0.03398686  -0.03626240   0.06760550  -0.17207520  -0.08505860
   0.39895188  -0.22380930   0.06265824  -0.05921470   0.02161390  -0.03714570   1.99130150
   0.18139131  -0.09887610   0.03168168  -0.04256220   0.18262318  -0.44820950  -4.01288300
   0.03603423   0.52952360  -0.21851530   0.28512116  -0.88337370   2.69084380   3.52288760
   0.02477362   0.58699610  -0.39106010   0.37187776   0.52118226  -3.14028800  -1.96249100
   0.00233284   0.04070765   0.66374452  -1.81368300   1.36180560   2.42671260   0.80080578
  -0.00099910  -0.01468440   0.51707047   1.25814690  -2.82014900  -2.17933400  -0.53758500
   0.00030221   0.00434848   0.02044077   0.40157337   1.95287730   0.97112043   0.18560244
    3
 -92.00447000  -9.00431000  -0.87955000
* p-type functions
   10    7
        495.03999000
        117.22119000
         37.50655800
         13.90996800
          5.50450150
          2.24328120
          0.77617992
          0.29187047
          0.10286700
          0.03600345
   0.00311875  -0.00079990   0.00069018  -0.00100450   0.00180362  -0.00397830   0.00332702
   0.02421577  -0.00619790   0.00560461  -0.00814840   0.00998874  -0.02143610   0.09509235
   0.10595245  -0.02802530   0.02403047  -0.03514000   0.06827645  -0.16103580   0.17109388
   0.28272734  -0.07609970   0.07093891  -0.10536050   0.11439006  -0.25543340   1.47320230
   0.43869699  -0.12768940   0.10278752  -0.14998540   0.39829396  -0.81670730  -2.98370200
   0.31473136  -0.07596880   0.10454338  -0.15333950  -0.45938850   2.35109230   2.50020280
   0.04594114   0.28506713  -0.46990450   1.22044450  -0.96842370  -2.49408300  -1.46174500
  -0.00495720   0.55093959  -0.47193650  -0.80290150   2.11264990   1.95217490   0.84544072
   0.00248469   0.30126947   0.68464358  -0.66889550  -2.11550500  -1.19064200  -0.40853120
  -0.00067720   0.04803268   0.47330406   1.00061540   1.15404730   0.49390514   0.14271222
    2
  -6.68253000  -0.43737000
* d-type functions
    4    4
          1.25000000
          0.50400000
          0.20300000
          0.07105000
   0.19546573  -0.40167390   0.99750229  -1.17998200
   0.54795286  -0.62554750  -0.80718480   2.02595420
   0.38037365   0.91828358  -0.32892640  -1.88935000
   0.03863999   0.24763900   0.87967426   1.10316700
    0

/Cl.ANO-S.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
CHLORINE (13s,10p,4d) -> [7s,7p,4d]
Options
OrbitalEnergies
EndOptions
    17.0   2
* s-type functions
   13    7
     105818.82000000
      15872.00600000
       3619.65480000
       1030.80380000
        339.90788000
        124.53810000
         49.51350200
         20.80560400
          6.46482380
          2.52545370
          0.53783215
          0.19349716
          0.06772401
   0.00030088  -0.00010080   0.00002615  -0.00002650   0.00003166  -0.00007150   0.00023307
   0.00232977  -0.00077660   0.00020215  -0.00020960   0.00030139  -0.00069360   0.00084352
   0.01200395  -0.00406460   0.00105460  -0.00105680   0.00113763  -0.00253710   0.01190370
   0.04767388  -0.01620470   0.00425383  -0.00447100   0.00701933  -0.01632110   0.00718535
   0.14650572  -0.05338040   0.01407419  -0.01389860   0.01246032  -0.02752690   0.21941115
   0.32284149  -0.12931440   0.03569705  -0.03875580   0.07200651  -0.17162230  -0.09917550
   0.39830268  -0.22776850   0.06574573  -0.06271850   0.01940905  -0.04545040   2.04168780
   0.18514198  -0.10552120   0.03577769  -0.04856230   0.20239561  -0.44579920  -4.10967300
   0.03908065   0.52732620  -0.23236570   0.30897703  -0.96907640   2.75199390   3.68050200
   0.02732878   0.58926880  -0.40410070   0.39485922   0.62510060  -3.27003000  -2.10224600
   0.00265779   0.04283083   0.66719688  -1.88460000   1.24860840   2.55072270   0.86850535
  -0.00106550  -0.01424610   0.52351442   1.34172930  -2.72799800  -2.27280000  -0.57143720
   0.00032210   0.00423885   0.02141530   0.34453623   1.93864910   1.02717480   0.19801553
    3
 -10.488469e1 -10.60777000  -1.07311000
* p-type functions
   10    7
        589.77639000
        139.84860000
         44.79492000
         16.61206900
          6.59949800
          2.71413230
          0.95279614
          0.35804401
          0.12498600
          0.04374510
   0.00293393  -0.00079640   0.00074632  -0.00103340   0.00194582  -0.00373880   0.00323560
   0.02293778  -0.00619950   0.00608487  -0.00829770   0.00995304  -0.02019120   0.08972159
   0.10200896  -0.02859060   0.02670982  -0.03737850   0.07645655  -0.15557850   0.17953539
   0.27850180  -0.07932680   0.08041079  -0.11248230   0.11813481  -0.26230200   1.47987530
   0.43936620  -0.13668250   0.12030301  -0.16634780   0.47053356  -0.78148800  -3.03569000
   0.31824231  -0.07706510   0.11059197  -0.13123830  -0.67497590   2.33620960   2.58379580
   0.04761320   0.29967959  -0.56145170   1.28621800  -0.64495750  -2.57271600  -1.51964100
  -0.00460480   0.54772217  -0.39634930  -1.04500600   1.84872020   2.08380130   0.87264654
   0.00260299   0.29977172   0.74669657  -0.40436540  -2.03971000  -1.34071500  -0.42741410
  -0.00067000   0.03737279   0.38289364   0.92379800   1.19714130   0.59502235   0.15522853
    2
  -8.07252000  -0.50652000
* d-type functions
    4    4
          1.55100000
          0.62800000
          0.25400000
          0.08890000
   0.20266095  -0.43010700   1.06680650  -1.11780600
   0.54447101  -0.61345870  -0.98817850   1.97052700
   0.37843168   0.96114253  -0.14763110  -1.90415900
   0.03637670   0.19412996   0.80660634   1.16968910
    0

/Ar.ANO-S.Pierloot.13s10p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
ARGON (13s,10p,4d) -> [7s,7p,4d]
Options
OrbitalEnergies
EndOptions
    18.0   2
* s-type functions
   13    7
     118022.38000000
      17683.54100000
       4027.76570000
       1145.39770000
        377.16375000
        138.15969000
         54.98911700
         23.17066700
          7.37786020
          2.92368760
          0.65040462
          0.23282451
          0.08148858
   0.00030792  -0.00008770   0.00002748  -0.00003010   0.00004463  -0.00007050   0.00023148
   0.00238809  -0.00067630   0.00021307  -0.00024110   0.00044706  -0.00063910   0.00082926
   0.01232842  -0.00355240   0.00111116  -0.00119640   0.00155769  -0.00262890   0.01189383
   0.04905183  -0.01422000   0.00450582  -0.00519780   0.01066123  -0.01468800   0.00680905
   0.15094545  -0.04735690   0.01486949  -0.01565220   0.01596869  -0.03152830   0.22004669
   0.33160199  -0.11640350   0.03790408  -0.04574220   0.11359992  -0.14900160  -0.10210920
   0.40793475  -0.21126210   0.06869121  -0.06799190   0.00269198  -0.10864140   2.05953980
   0.18574590  -0.09462300   0.03727290  -0.06180340   0.35091411  -0.25935020  -4.24702600
   0.01260678   0.53120504  -0.24638140   0.37831352  -1.68418500   2.39135560   3.96349660
  -0.00156040   0.58727852  -0.41024540   0.40250734   1.55661430  -3.05272400  -2.34469800
   0.00047482   0.04420117   0.66348374  -2.08879000   0.30536663   2.75522210   1.02461850
  -0.00031750  -0.01356080   0.53673906   1.68959370  -1.87955900  -2.82907800  -0.70515400
   0.00009758   0.00406437   0.01933624   0.09790609   1.63357570   1.49661250   0.26847913
    3
 -11.861039e1 -12.32219000  -1.27735000
* p-type functions
   10    7
        663.06201000
        157.09281000
         50.23110000
         18.63534500
          7.44653720
          3.09569820
          1.10646330
          0.41560102
          0.14544900
          0.05090715
   0.00300047  -0.00085000   0.00107299  -0.00193450   0.00372647  -0.00141180   0.00385228
   0.02358427  -0.00664000   0.00878131  -0.01109440   0.02012616  -0.03894670   0.07898788
   0.10542454  -0.03091670   0.03908418  -0.07558760   0.15718057  -0.06487870   0.22958435
   0.28590850  -0.08508040   0.11748665  -0.13867730   0.26001325  -0.69401040   1.22810270
   0.44253997  -0.14581680   0.17008459  -0.42896380   0.77264121   1.06230670  -2.84774100
   0.30512211  -0.06758040   0.13851503   0.49130234  -2.31162900  -0.37203440   2.71960580
   0.04222394   0.32745596  -0.99338540   1.04357650   2.37535320  -0.53269050  -1.91816700
  -0.00412100   0.54750660   0.05100334  -1.95551500  -1.52652800   1.25110440   1.46444980
   0.00179919   0.28626511   0.85463482   1.19603110   0.38651164  -1.79122700  -1.17147800
  -0.00055010   0.01046640   0.00562153   0.01665105   0.27490919   1.47778720   0.74016206
    2
  -9.57150000  -0.59102000
* d-type functions
    4    4
          1.87300000
          0.76300000
          0.31100000
          0.10885000
   0.21184041  -0.49061290   1.31310830  -0.80352700
   0.54179893  -0.58098470  -1.57721700   1.59975190
   0.37621504   1.04476770   0.49362669  -1.82416300
   0.02755209   0.07636694   0.45056925   1.36225370
    0

/K.ANO-S.Pierloot.17s12p4d.7s6p4d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
POTASSIUM (17s,12p,4d) -> [7s,6p,4d]
Options
OrbitalEnergies
EndOptions
    19.0   2
* s-type functions
   17    7
     491258.49000000
      73596.26000000
      16749.08500000
       4743.06460000
       1546.57230000
        557.61034000
        216.63552000
         88.97660300
         37.70667000
         14.62274900
          6.74696650
          3.03462520
          0.90298592
          0.37318822
          0.06155351
          0.02553669
          0.01021330
   0.00005842  -0.00002070   0.00000435  -0.00000100   0.00000164  -0.00000890   0.00000430
   0.00045381  -0.00016070   0.00003401  -0.00000770   0.00001315  -0.00006650   0.00003197
   0.00237837  -0.00084290   0.00017722  -0.00003950   0.00006615  -0.00036960   0.00017722
   0.00992078  -0.00353600   0.00075221  -0.00017110   0.00029351  -0.00141650   0.00067643
   0.03480238  -0.01257040   0.00265519  -0.00058790   0.00097189  -0.00546100   0.00255915
   0.10256352  -0.03848430   0.00837390  -0.00191410   0.00326796  -0.01358480   0.00603698
   0.23961148  -0.09801500   0.02156418  -0.00470680   0.00742939  -0.03639130   0.01429188
   0.38126993  -0.19258520   0.04665380  -0.01073760   0.01770685  -0.03011530   0.00152170
   0.29621852  -0.21748580   0.05565267  -0.01128390   0.01480930  -0.05474160   0.00062542
   0.06375196   0.09256514  -0.02479790   0.00231784   0.00460019   0.06700469  -0.00530920
   0.02601417   0.58909472  -0.27722080   0.06582098  -0.11983180  -0.03527940   0.09730501
   0.02795313   0.47571709  -0.33246770   0.05481428  -0.07493820   1.20112230  -0.58343270
   0.00130668   0.00807837   0.50767943  -0.07425960   0.09938682  -3.35082100   1.68066090
  -0.00014920  -0.05118210   0.70161851  -0.32299760   0.64446308   2.79270070  -2.00499100
   0.00000326  -0.00174370   0.07043030   0.09186196  -1.96324000  -0.43064540   3.24404350
  -0.00000220   0.00060097  -0.05969240   0.93438734   0.95293980  -0.64231060  -4.58815700
   0.00000059  -0.00015040   0.00948955   0.06211051   0.61563072   0.70496631   2.50882580
    4
 -13.353311e1 -14.49000000  -1.74879000  -0.14739000
* p-type functions
   12    6
       1189.74050000
        287.10831000
        100.91081000
         38.96316500
         15.62070400
          6.38134000
          2.63505000
          1.09542300
          0.45742400
          0.19160900
          0.06706320
          0.02347210
   0.00141380  -0.00033300   0.00006492  -0.00010300   0.00026569  -0.00057490
   0.01038087  -0.00249260   0.00048585  -0.00074110   0.00250941  -0.00238810
   0.04474237  -0.01076840   0.00209050  -0.00332710   0.00833263  -0.02069070
   0.15406934  -0.03906560   0.00755029  -0.01139040   0.04065920  -0.03984570
   0.35465661  -0.09285550   0.01777551  -0.02828850   0.06909479  -0.21089190
   0.45431722  -0.13401620   0.02546473  -0.03628700   0.17159295  -0.03135220
   0.19116706   0.03118623  -0.00496590  -0.00208330  -0.19831070  -0.37924700
  -0.01862470   0.40666025  -0.06854900   0.12037081  -0.03116310   2.57260920
  -0.02790530   0.49596210  -0.09481970   0.10952669  -1.38969700  -3.69993400
  -0.01460530   0.20243950  -0.07258240   0.41463187   2.67276250   2.50518670
   0.00018929   0.00793367   0.20338465  -1.81305400  -1.75862800  -1.07709200
  -0.00028140   0.00119087   0.87327808   1.27013160   0.61694169   0.34729877
    2
 -11.51935000  -0.95442000
* d-type functions
    4    4
          0.09333000
          0.03733200
          0.01493280
          0.00597300
   0.50545552  -1.13396900   0.97707492  -0.27924300
   0.57601816   0.89460794  -1.96236900   0.77772879
   0.02038626   0.42432475   1.88487010  -1.36181200
  -0.04888480  -0.14892240  -0.35784830   1.55605450
    0

/Ca.ANO-S.Pierloot.17s12p4d.7s7p4d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
CALCIUM (17s,12p,4d) -> [7s,7p,4d]
Options
OrbitalEnergies
EndOptions
    20.0   2
* s-type functions
   17    7
     542844.56000000
      81324.55700000
      18507.90600000
       5241.13940000
       1708.98930000
        616.18926000
        239.42854000
         98.37458100
         41.71418300
         16.09407900
          7.46704860
          3.37858760
          1.02991330
          0.42260000
          0.06783130
          0.02752130
          0.01100704
   0.00005841  -0.00002110   0.00000685  -0.00000150   0.00000168  -0.00000400   0.00000445
   0.00045377  -0.00016370   0.00005340  -0.00001170   0.00001293  -0.00002760   0.00003190
   0.00237823  -0.00085890   0.00027903  -0.00006070   0.00006896  -0.00017260   0.00018813
   0.00991905  -0.00360190   0.00117888  -0.00025900   0.00028359  -0.00057020   0.00067503
   0.03479574  -0.01279950   0.00417698  -0.00090720   0.00104107  -0.00274630   0.00294084
   0.10249859  -0.03912940   0.01303884  -0.00288050   0.00311564  -0.00573740   0.00705759
   0.23924588  -0.09936550   0.03357530  -0.00729850   0.00852796  -0.02446030   0.02555592
   0.37922037  -0.19366870   0.07046608  -0.01588600   0.01668291  -0.02371310   0.03311773
   0.29253681  -0.21515880   0.08285525  -0.01799130   0.02303530  -0.09147860   0.08738845
   0.06468846   0.09713469  -0.04133500   0.00742164  -0.01742770   0.16250618  -0.13561680
   0.03281779   0.56572226  -0.36805990   0.09616220  -0.08758100  -0.07273020  -0.06219360
   0.03199147   0.41996510  -0.38857710   0.09549962  -0.14611870   0.81888116  -0.70066570
   0.00254060   0.06391161   0.59698724  -0.18281930   0.32722133  -2.33849000   2.60288640
   0.00098313   0.02369149   0.64234271  -0.41255990   0.36853705   1.93435540  -2.67545500
   0.00005600   0.00332540   0.03054920   0.70539294  -2.34379300   0.21528538   2.67735220
  -0.00003000  -0.00222660  -0.01615820   0.47715882   2.24315820  -1.86334000  -3.59680300
   0.00000915   0.00073373   0.00502950  -0.01706170  -0.13030730   1.66682650   2.04809480
    4
 -14.936382e1 -16.82280000  -2.24535000  -0.19551000
* p-type functions
   12    7
       1402.42710000
        338.55939000
        119.98925000
         46.80993600
         18.97619100
          7.84183500
          3.27635300
          1.37829300
          0.58247500
          0.24694600
          0.08643110
          0.03025090
   0.00127432  -0.00042400   0.00010198  -0.00010830   0.00018813  -0.00066400   0.00079655
   0.00936449  -0.00316090   0.00076323  -0.00088700   0.00197915  -0.00265940   0.01326604
   0.04001879  -0.01354030   0.00326097  -0.00340270   0.00557656  -0.02318190   0.02171266
   0.13890894  -0.04894240   0.01187257  -0.01389780   0.03155397  -0.03900910   0.23517856
   0.32858814  -0.11907730   0.02887702  -0.02952650   0.04521323  -0.22883650   0.14837834
   0.44618186  -0.17759170   0.04384101  -0.05603990   0.15212192  -0.01123040   0.99663602
   0.21822676  -0.00699460  -0.00200520   0.02197499  -0.16059250  -0.49230620  -3.29295600
   0.01508472   0.41010521  -0.11533190   0.07370106   0.11878904   2.76714600   3.73328260
   0.00741586   0.51830550  -0.17248950   0.35745642  -1.61591100  -3.77546500  -2.56161000
  -0.00045020   0.18538460  -0.08907560  -0.13208330   2.90021550   2.40608260   1.23352690
   0.00070335   0.00656569   0.69200083  -1.30992600  -2.12745700  -0.96890410  -0.44381290
  -0.00020640   0.00061610   0.45318416   1.35118460   0.86987929   0.31060477   0.13446667
    2
 -13.62934000  -1.34066000
* d-type functions
    4    4
          0.39250000
          0.15700000
          0.06280000
          0.02512000
   0.09888404  -0.06448030   1.02905310  -1.22521100
   0.35400289  -1.15845300  -0.56109360   1.95083670
   0.60583332   0.93993886  -0.65246380  -1.97780000
   0.09979140   0.24451693   0.91827402   1.28881920
    0

/Sc.ANO-S.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
SCANDIUM (17s,12p,9d,4f) -> [8s,7p,7d,4f]
Options
OrbitalEnergies
EndOptions
    21.0   3
* s-type functions
   17    8
     595831.95000000
      89262.93200000
      20314.54900000
       5752.75870000
       1875.82490000
        676.36545000
        262.84903000
        108.03945000
         45.84576200
         17.59919300
          8.17580570
          3.70731930
          1.15103350
          0.46961842
          0.07344447
          0.02915210
          0.01166084
   0.00006009  -0.00001770   0.00000596  -0.00000140   0.00000132  -0.00000290   0.00000545  -0.00001040
   0.00046681  -0.00013790   0.00004654  -0.00001120   0.00001017  -0.00002130   0.00004016  -0.00011760
   0.00244673  -0.00072340   0.00024264  -0.00005820   0.00005386  -0.00012080   0.00022772  -0.00033360
   0.01020489  -0.00303840   0.00102866  -0.00024840   0.00022354  -0.00045730   0.00086263  -0.00299480
   0.03580846  -0.01082660   0.00363227  -0.00087010   0.00081113  -0.00186310   0.00351277  -0.00339800
   0.10553000  -0.03338750   0.01141770  -0.00276370   0.00246473  -0.00487750   0.00920796  -0.03941210
   0.24664376  -0.08623460   0.02931475  -0.00700720   0.00662115  -0.01583100   0.02987004  -0.00606590
   0.39199778  -0.17415510   0.06252706  -0.01525060   0.01330687  -0.02417460   0.04584989  -0.29995160
   0.30492951  -0.20068060   0.07257241  -0.01716190   0.01739689  -0.04973630   0.09408609   0.27122714
   0.05687780   0.11467916  -0.03949260   0.00822088  -0.01282900   0.06590135  -0.12003520  -1.30334800
  -0.00617680   0.60089368  -0.36390820   0.09571914  -0.07562780   0.07906535  -0.18564080   4.96384130
   0.00319007   0.42199655  -0.34260530   0.08484905  -0.10262030   0.39184087  -0.76338830  -5.95642600
  -0.00067490   0.02591456   0.63475994  -0.19185620   0.25651880  -1.20370700   3.11656660   3.97966750
   0.00057940  -0.01032930   0.61045513  -0.34487640   0.24177373   0.59264127  -3.14574000  -2.00057400
  -0.00010870   0.00114430   0.03293504   0.58912786  -1.20204600   2.00889460   2.51839210   0.73942302
   0.00008800  -0.00096220  -0.01548020   0.47056527   0.12875424  -3.62065800  -2.67238100  -0.60445010
  -0.00003080   0.00033204   0.00537263   0.10847722   1.11493530   2.06640740   1.16239590   0.21880638
    4
 -16.575811e1 -18.91665000  -2.41325000  -0.19537000
* p-type functions
   12    7
       3038.01120000
        720.01728000
        233.16928000
         88.30313200
         36.83342500
         16.24220000
          7.41303560
          3.43545800
          1.50379110
          0.64244973
          0.25790973
          0.10316389
   0.00039725  -0.00012880   0.00003301  -0.00009310   0.00008260  -0.00049110   0.00007799
   0.00343223  -0.00110920   0.00033649  -0.00063670   0.00160323  -0.00124750   0.01010821
   0.01834045  -0.00601640   0.00153670  -0.00437030   0.00374182  -0.02383410   0.00393294
   0.07014229  -0.02331960   0.00715795  -0.01316860   0.03503811  -0.02528430   0.24656844
   0.19215459  -0.06681420   0.01653799  -0.05051430   0.03180663  -0.31450820   0.01051960
   0.35486760  -0.12771100   0.04266272  -0.06300140   0.25111922   0.05171262   1.92154960
   0.38334082  -0.15121100   0.02529727  -0.16119190  -0.10643950  -1.36382400  -4.68468400
   0.16352875   0.04316084   0.02411652   0.16497334   0.60325764   3.92299600   4.77626470
   0.01071303   0.42102933  -0.22221810   0.13059627  -2.82063300  -4.18600300  -3.08708000
  -0.00421750   0.51075402   0.00126022   1.15493160   3.75318200   2.60431750   1.58935420
  -0.00155970   0.16496300  -0.46731720  -2.47300500  -2.42327600  -1.15423800  -0.67260660
   0.00000405   0.00301061   1.30279110   1.30271670   0.81571032   0.34349478   0.20021871
    2
 -15.50808000  -1.43541000
* d-type functions
    9    7
         73.62056700
         21.79198500
          7.93452410
          3.19068360
          1.34594040
          0.56274452
          0.22800864
          0.08530168
          0.03412067
   0.00200783  -0.00172910   0.00227659  -0.00289760   0.00473914  -0.00775580   0.03611870
   0.01458485  -0.01274420   0.01679043  -0.02019640   0.03273365  -0.07787060   0.01187916
   0.05647112  -0.04904190   0.06533207  -0.08478730   0.13840741  -0.27717530   1.57922280
   0.15137363  -0.13514180   0.18265483  -0.22460720   0.40546359  -1.08851300  -2.42869500
   0.26962446  -0.22593920   0.29148509  -0.35353770   0.41687579   2.32944850   2.01589720
   0.33593168  -0.24506780   0.15767510   0.28529328  -1.83467600  -2.10097800  -1.22611500
   0.33313266   0.05014496  -0.65943020   0.96346237   1.99516900   1.26149980   0.62132900
   0.19538596   0.48794111  -0.39840250  -1.66676700  -1.34680900  -0.61602200  -0.28277660
   0.07088863   0.47001248   0.90831428   1.06080770   0.57659338   0.22550509   0.10123883
    1
  -0.21529000
* f-type functions
    4    4
          1.45917560
          0.45236770
          0.14024120
          0.05609648
   0.07849586  -0.22192240   0.53297877  -1.01657200
   0.31856947  -0.59456080   0.34487745   1.15654580
   0.53040941  -0.15083600  -1.13217600  -0.91818830
   0.37189659   0.79147054   0.90042002   0.49708337
    0

/Ti.ANO-S.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
TITANIUM (17s,12p,9d,4f) -> [8s,7p,7d,4f]
Options
OrbitalEnergies
EndOptions
    22.0   3
* s-type functions
   17    8
     654125.31000000
      97995.93300000
      22302.01200000
       6315.58110000
       2059.35490000
        742.55919000
        288.60525000
        118.65832000
         50.37238700
         19.28110700
          9.01933180
          4.11772450
          1.30633610
          0.53009179
          0.08139871
          0.03171529
          0.01268612
   0.00005742  -0.00002520   0.00000623  -0.00000150   0.00000130  -0.00000320   0.00000555  -0.00001060
   0.00044604  -0.00019610   0.00004864  -0.00001140   0.00001005  -0.00002390   0.00004148  -0.00011700
   0.00233782  -0.00102820   0.00025359  -0.00005910   0.00005323  -0.00013520   0.00023031  -0.00035160
   0.00974792  -0.00431040   0.00107504  -0.00025190   0.00022093  -0.00051260   0.00089804  -0.00295170
   0.03418769  -0.01529010   0.00379738  -0.00088390   0.00080203  -0.00208660   0.00352862  -0.00380680
   0.10057976  -0.04656410   0.01194052  -0.00280460   0.00243783  -0.00547510   0.00970280  -0.03841750
   0.23408779  -0.11707820   0.03069666  -0.00713520   0.00655959  -0.01775740   0.02973082  -0.01130560
   0.36715798  -0.22334490   0.06551934  -0.01550780   0.01319817  -0.02726890   0.05002747  -0.28892760
   0.27715599  -0.23821840   0.07593220  -0.01753510   0.01725521  -0.05577680   0.08955719   0.23387519
   0.07127681   0.11262009  -0.04404330   0.00922554  -0.01340850   0.07582140  -0.10420750  -1.21779600
   0.06868144   0.59842005  -0.38293350   0.09836177  -0.07595290   0.09286343  -0.26405980   4.93038090
   0.05464611   0.40763215  -0.33931210   0.08328293  -0.09865790   0.43319837  -0.64829740  -6.06771900
   0.00307361   0.02962772   0.64594533  -0.19806690   0.25398479  -1.36758400   2.97168580   4.10924060
  -0.00005420  -0.00552720   0.60487430  -0.33163940   0.22252723   0.75136484  -3.03623200  -2.04840700
   0.00004949   0.00122381   0.03217458   0.59524717  -1.11294400   1.84652900   2.52836840   0.75804587
  -0.00003400  -0.00094870  -0.01485000   0.44878795   0.00462969  -3.41902200  -2.76436400  -0.62966770
   0.00001159   0.00033282   0.00535552   0.12478378   1.17212530   1.96195230   1.23569630   0.23456692
    4
 -18.311076e1 -21.23849000  -2.70022000  -0.20513000
* p-type functions
   12    7
       3401.43710000
        806.13331000
        261.10790000
         98.94156500
         41.31026400
         18.24833800
          8.35073940
          3.87949690
          1.70921860
          0.73240434
          0.29421660
          0.11768664
   0.00039109  -0.00012730   0.00003342  -0.00009140   0.00008475  -0.00049470   0.00001008
   0.00338300  -0.00109830   0.00034001  -0.00063530   0.00152344  -0.00097950   0.01032020
   0.01812977  -0.00597380   0.00156300  -0.00431180   0.00391241  -0.02383910  -0.00094580
   0.06962152  -0.02327720   0.00728305  -0.01325350   0.03330986  -0.01961030   0.25098083
   0.19178613  -0.06711550   0.01703792  -0.05020340   0.03522799  -0.31814810  -0.06345800
   0.35608170  -0.12945010   0.04389292  -0.06534180   0.23660902   0.10595301   2.10199820
   0.38457824  -0.15224490   0.02656063  -0.15892570  -0.05891290  -1.48887600  -4.87552600
   0.16242705   0.04924894   0.02196761   0.15937620   0.53205946   4.09397950   4.89286970
   0.00834756   0.42750814  -0.22448240   0.15074736  -2.76851100  -4.36008800  -3.14382500
  -0.00668130   0.50494395  -0.00414940   1.12149790   3.74460460   2.72198830   1.61666830
  -0.00237620   0.16150162  -0.44592200  -2.45926100  -2.43359000  -1.21304300  -0.68588520
  -0.00000320   0.00303373   1.29129180   1.30850580   0.82206011   0.36248858   0.20443457
    2
 -17.61065000  -1.63709000
* d-type functions
    9    7
         89.71138900
         26.62694300
          9.78842740
          3.97005990
          1.69274160
          0.71668337
          0.29399877
          0.11087448
          0.04434979
   0.00197112  -0.00169040   0.00249422  -0.00316660   0.00519756  -0.00810670   0.03369155
   0.01476713  -0.01280610   0.01888873  -0.02276150   0.03879584  -0.08094660   0.02413189
   0.05842935  -0.05084830   0.07638043  -0.10120600   0.17367478  -0.34139340   1.56352600
   0.15874066  -0.14143240   0.21391711  -0.26112330   0.46224274  -0.92357710  -2.54717000
   0.28433796  -0.23356430   0.30937393  -0.31694630   0.15846734   2.31884450   2.23000990
   0.34805899  -0.22344390   0.08132789   0.45486816  -1.62095000  -2.30269500  -1.40261800
   0.31971181   0.10623586  -0.72494880   0.70447981   2.01043990   1.47424480   0.71800094
   0.17366214   0.51835921  -0.20475440  -1.57446400  -1.46825100  -0.74370310  -0.32497980
   0.04333103   0.41970191   0.82546208   1.09733100   0.65867253   0.27639478   0.11554086
    1
  -0.27342000
* f-type functions
    4    4
          2.20046960
          0.64937640
          0.19163620
          0.07665450
   0.13025610  -0.27354300   0.56898897  -0.94725120
   0.43210697  -0.56340910   0.17880600   1.10515900
   0.54434570   0.09430229  -1.05252400  -0.94717330
   0.22364132   0.72061022   0.96085150   0.55680947
    0

/V.ANO-S.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
VANADIUM (17s,12p,9d,4f) -> [8s,7p,7d,4f]
Options
OrbitalEnergies
EndOptions
    23.0   3
* s-type functions
   17    8
     713920.52000000
     106953.92000000
      24340.67000000
       6892.89970000
       2247.61240000
        810.45912000
        315.02740000
        129.55408000
         55.01638500
         20.97414600
          9.87210890
          4.53454230
          1.46565240
          0.59143123
          0.08901414
          0.03411330
          0.01364532
   0.00005672  -0.00002720   0.00000636  -0.00000150   0.00000130  -0.00000340   0.00000567  -0.00001080
   0.00044061  -0.00021160   0.00004972  -0.00001150   0.00001000  -0.00002490   0.00004269  -0.00011650
   0.00230942  -0.00110960   0.00025923  -0.00005970   0.00005303  -0.00014100   0.00023469  -0.00036040
   0.00962835  -0.00465070   0.00109903  -0.00025440   0.00021990  -0.00053520   0.00092730  -0.00292380
   0.03376374  -0.01648380   0.00388256  -0.00089380   0.00079930  -0.00217570   0.00358496  -0.00400670
   0.09927114  -0.05011160   0.01221463  -0.00283340   0.00242734  -0.00572240   0.01007586  -0.03788470
   0.23069894  -0.12542240   0.03142506  -0.00722860   0.00654877  -0.01853300   0.03009221  -0.01389790
   0.35996037  -0.23689020   0.06713939  -0.01568490   0.01315692  -0.02860280   0.05277850  -0.28314100
   0.26870735  -0.24787200   0.07753127  -0.01776950   0.01722657  -0.05802340   0.08852512   0.21456382
   0.07549003   0.11826298  -0.04864550   0.01038874  -0.01437290   0.08147336  -0.10084540  -1.17354300
   0.08773647   0.60018754  -0.39680250   0.10049717  -0.07634200   0.09989962  -0.31031840   4.93648550
   0.06605930   0.39609544  -0.33030190   0.08071716  -0.09563090   0.44392812  -0.58173000  -6.18407100
   0.00382056   0.02855073   0.65683936  -0.20263470   0.25414590  -1.41791300   2.88925830   4.21417940
  -0.00015680  -0.00509270   0.59860019  -0.31938960   0.20644050   0.80328241  -2.95806800  -2.07298400
   0.00006672   0.00107613   0.03097907   0.60245710  -1.06318800   1.76475440   2.47646240   0.75978385
  -0.00004760  -0.00083400  -0.01429590   0.43163694  -0.05370290  -3.31853500  -2.74418000  -0.63754500
   0.00001660   0.00029657   0.00528213   0.13432835   1.19638070   1.91565290   1.24556690   0.24244357
    4
 -20.132257e1 -23.67206000  -2.99279000  -0.21441000
* p-type functions
   12    7
       3780.98290000
        896.06643000
        290.28429000
        110.05292000
         45.98759000
         20.34564900
          9.33157000
          4.34327080
          1.92296960
          0.82556867
          0.33173511
          0.13269404
   0.00038591  -0.00012730   0.00003422  -0.00009380   0.00009984  -0.00046750   0.00003632
   0.00334171  -0.00110030   0.00034661  -0.00067800   0.00149551  -0.00091240  -0.01011880
   0.01795298  -0.00599800   0.00160711  -0.00443310   0.00462904  -0.02272480   0.00209294
   0.06918508  -0.02347540   0.00746840  -0.01429620   0.03274662  -0.01801150  -0.24531270
   0.19146385  -0.06802130   0.01772168  -0.05180940   0.04589829  -0.30395830   0.07872976
   0.35695651  -0.13213250   0.04537820  -0.07358240   0.22576023   0.08804627  -2.15881000
   0.38498220  -0.15408450   0.02824839  -0.15811370   0.00689397  -1.46904400   4.96618650
   0.16126901   0.05457673   0.01939743   0.15083726   0.36332440   4.13194530  -4.99541000
   0.00763191   0.43278764  -0.22836530   0.23107115  -2.58664500  -4.51037400   3.22303910
  -0.00710340   0.49985960  -0.01161720   0.99543154   3.67909310   2.89064920  -1.65834900
  -0.00252890   0.15850743  -0.41767430  -2.38330800  -2.46918500  -1.31500100   0.70444402
   0.00000066   0.00303620   1.27575150   1.29668580   0.85110774   0.39628535  -0.21015840
    2
 -19.82389000  -1.84417000
* d-type functions
    9    7
        104.13047000
         30.95579400
         11.44229100
          4.66715700
          2.00033430
          0.85081394
          0.34977184
          0.13171490
          0.05268596
   0.00198420  -0.00190240   0.00259915  -0.00344870   0.00503879  -0.00929000   0.03177364
   0.01511683  -0.01461430   0.01982710  -0.02566350   0.04027136  -0.07299660   0.03753081
   0.06061251  -0.05917200   0.08294547  -0.11424710   0.17666179  -0.39056310   1.54688740
   0.16496622  -0.16510040   0.23061120  -0.30889380   0.50954685  -0.79465810  -2.59682000
   0.29337236  -0.26551490   0.31649683  -0.27478220  -0.08588320   2.26144650   2.34571930
   0.35196841  -0.20563990  -0.03484920   0.64432757  -1.35901700  -2.39436300  -1.52008600
   0.31083928   0.20037919  -0.71919380   0.38007456   1.96974920   1.61469680   0.79457277
   0.16150598   0.52257676  -0.03325120  -1.39540000  -1.59119000  -0.84784360  -0.36388150
   0.03311545   0.34104874   0.77629662   1.08069980   0.76016725   0.32264858   0.13011619
    1
  -0.32069000
* f-type functions
    4    4
          3.05694200
          0.91846949
          0.27595754
          0.11038302
   0.15644094  -0.30581500   0.58242804  -0.93604450
   0.48371363  -0.52884680   0.09510262   1.13456010
   0.51393535   0.21367999  -1.01528000  -1.00515200
   0.17587866   0.67064777   0.98860726   0.59287044
    0

/Cr.ANO-S.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
CHROMIUM (17s,12p,9d,4f) -> [8s,7p,7d,4f]
Options
OrbitalEnergies
EndOptions
    24.0   3
* s-type functions
   17    8
     775533.34000000
     116184.56000000
      26441.43000000
       7487.81580000
       2441.61190000
        880.43284000
        342.25973000
        140.78744000
         59.80621800
         22.70058200
         10.73915400
          4.95857950
          1.62945360
          0.65405592
          0.09646006
          0.03641221
          0.01456488
   0.00005723  -0.00002680   0.00000649  -0.00000150   0.00000129  -0.00000340   0.00000585  -0.00001090
   0.00044449  -0.00020830   0.00005073  -0.00001150   0.00000998  -0.00002500   0.00004385  -0.00011640
   0.00232981  -0.00109190   0.00026447  -0.00006000   0.00005294  -0.00014140   0.00024094  -0.00036900
   0.00971308  -0.00457780   0.00112143  -0.00025520   0.00021939  -0.00053730   0.00095466  -0.00290830
   0.03406236  -0.01622790   0.00396186  -0.00089740   0.00079828  -0.00218060   0.00367434  -0.00420560
   0.10014559  -0.04939290   0.01246948  -0.00284270   0.00242235  -0.00575310   0.01040231  -0.03747650
   0.23271131  -0.12381980   0.03209834  -0.00726680   0.00654919  -0.01857940   0.03081307  -0.01643950
   0.36276984  -0.23479860   0.06861654  -0.01574810   0.01313854  -0.02885430   0.05485036  -0.27811590
   0.27054473  -0.24550060   0.07887123  -0.01782750   0.01719501  -0.05782170   0.08964880   0.19610292
   0.07471932   0.12799885  -0.05380080   0.01154884  -0.01541980   0.08386149  -0.10481420  -1.12222600
   0.08106241   0.60533551  -0.40976920   0.10192365  -0.07684230   0.10309780  -0.33870430   4.92264370
   0.06009843   0.38641407  -0.31945020   0.07706611  -0.09251760   0.43550265  -0.54531630  -6.27637100
   0.00331771   0.02756042   0.66622518  -0.20443710   0.25411779  -1.39719100   2.85202950   4.29713930
  -0.00001960  -0.00461290   0.59249526  -0.30750830   0.19302952   0.78468653  -2.90717700  -2.08301400
   0.00003765   0.00094938   0.02994887   0.60366374  -1.02057400   1.74604690   2.39313620   0.75113126
  -0.00002520  -0.00073600  -0.01388060   0.41816748  -0.10825360  -3.28718200  -2.65656500  -0.63350820
   0.00000876   0.00026482   0.00523081   0.14607905   1.21848150   1.89979850   1.21342930   0.24437052
    4
  -2.203855e2 -26.20938000  -3.28495000  -0.22194000
* p-type functions
   12    7
       4177.20230000
        989.94948000
        320.74221000
        121.65403000
         50.87252000
         22.53736600
         10.35702600
          4.82758580
          2.14555330
          0.92228644
          0.37058761
          0.14823504
   0.00038100  -0.00012970   0.00003484  -0.00009700   0.00011141  -0.00044300   0.00001024
   0.00330212  -0.00112180   0.00035200  -0.00072450   0.00147994  -0.00090530  -0.00979480
   0.01777846  -0.00612540   0.00164176  -0.00459640   0.00520479  -0.02161370   0.00056844
   0.06872086  -0.02406020   0.00762468  -0.01541560   0.03248028  -0.01790210  -0.23774820
   0.19091429  -0.06996010   0.01827867  -0.05390710   0.05443411  -0.28922540   0.05293088
   0.35707209  -0.13660540   0.04667827  -0.08208750   0.21942799   0.06517397  -2.12858800
   0.38424958  -0.15772200   0.02947586  -0.15954390   0.05906163  -1.43364900   4.96631810
   0.16037947   0.05866287   0.01720878   0.14798968   0.21093181   4.14155610  -5.03497000
   0.00962932   0.43680727  -0.23207010   0.30952036  -2.40833800  -4.62622500   3.26623860
  -0.00445100   0.49530738  -0.01539490   0.86579980   3.60920300   3.03499690  -1.68115200
  -0.00171550   0.15640212  -0.39758120  -2.29974000  -2.50443600  -1.40643400   0.71453634
   0.00002215   0.00304421   1.26434250   1.27812560   0.88151159   0.42731762  -0.21333940
    2
 -22.13952000  -2.05069000
* d-type functions
    9    7
        118.40027000
         35.24046600
         13.07762500
          5.35765010
          2.30393220
          0.98204661
          0.40349596
          0.15139348
          0.06055739
   0.00200909  -0.00214880   0.00263953  -0.00366230   0.00503108  -0.00989620   0.02987363
   0.01548956  -0.01666530   0.02030214  -0.02797620   0.04154259  -0.06761140   0.05374679
   0.06272358  -0.06863240   0.08671443  -0.12545210   0.18470900  -0.42846810   1.52390730
   0.17048745  -0.19091440   0.24074398  -0.34741690   0.53801410  -0.68019690  -2.62344800
   0.30033187  -0.29641790   0.30678544  -0.21989590  -0.28660880   2.18638250   2.42331090
   0.35422867  -0.17684800  -0.12981750   0.76764702  -1.10257100  -2.44077100  -1.60262500
   0.30423138   0.28242088  -0.69616010   0.11277266   1.87223860   1.72207730   0.85081120
   0.15195942   0.51799310   0.12251145  -1.21857000  -1.65836000  -0.94440910  -0.39486940
   0.02523259   0.26126513   0.72556154   1.05604210   0.84428121   0.37199987   0.14291450
    1
  -0.37348000
* f-type functions
    4    4
          4.12723630
          1.24953070
          0.37829840
          0.15131940
   0.15668999  -0.30266120   0.57121527  -0.94875070
   0.50412697  -0.52923830   0.09450484   1.13588970
   0.50338434   0.25937043  -1.01756100  -1.00646200
   0.15839720   0.64970002   1.00640370   0.59376926
    0

/Mn.ANO-S.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
MANGANESE (17s,12p,9d,4f) -> [8s,7p,7d,4f]
Options
OrbitalEnergies
EndOptions
    25.0   3
* s-type functions
   17    8
     838614.74000000
     125635.08000000
      28592.19100000
       8096.87950000
       2640.22290000
        952.07110000
        370.14299000
        152.29321000
         64.71388200
         24.44221700
         11.61120800
          5.38545970
          1.79619990
          0.71706245
          0.10334880
          0.03849073
          0.01539629
   0.00005792  -0.00002610   0.00000659  -0.00000150   0.00000134  -0.00000340   0.00000593  -0.00001080
   0.00044987  -0.00020310   0.00005146  -0.00001160   0.00001032  -0.00002520   0.00004506  -0.00011510
   0.00235803  -0.00106490   0.00026833  -0.00006060   0.00005490  -0.00014250   0.00024427  -0.00036830
   0.00983037  -0.00446630   0.00113777  -0.00025750   0.00022679  -0.00054070   0.00098386  -0.00286950
   0.03447444  -0.01583560   0.00402010  -0.00090700   0.00082862  -0.00219840   0.00371406  -0.00423120
   0.10134751  -0.04827290   0.01265605  -0.00286900   0.00250233  -0.00578690   0.01077567  -0.03693880
   0.23545702  -0.12126450   0.03259176  -0.00735380   0.00681269  -0.01875650   0.03098888  -0.01707400
   0.36667722  -0.23119910   0.06968177  -0.01588880   0.01354490  -0.02898970   0.05761603  -0.27348360
   0.27316873  -0.24170840   0.07964015  -0.01799310   0.01792203  -0.05824900   0.08734639   0.18927713
   0.07310645   0.13941442  -0.05948010   0.01305598  -0.01771180   0.08864045  -0.09997320  -1.11135900
   0.07171323   0.61168014  -0.42117870   0.10367563  -0.07898090   0.10155722  -0.38478270   4.95250960
   0.05263890   0.37654442  -0.30657990   0.07410552  -0.09505420   0.43883669  -0.47748430  -6.38865300
   0.00246757   0.02489214   0.67855473  -0.20922180   0.27209632  -1.41732900   2.77440380   4.38862790
  -0.00007280  -0.00539700   0.58378855  -0.29745620   0.17679116   0.82745647  -2.83139500  -2.09954600
   0.00000003   0.00077651   0.02759718   0.62010685  -1.07927200   1.64235980   2.32780500   0.75095493
   0.00000162  -0.00061560  -0.01307180   0.41369673   0.03479416  -3.21608800  -2.63058000  -0.64242820
  -0.00000090   0.00022408   0.00493712   0.13010689   1.13771890   1.91885670   1.23123290   0.25347229
    4
 -24.035373e1 -28.90915000  -3.62139000  -0.22691000
* p-type functions
   12    7
       4590.51900000
       1087.88240000
        352.51409000
        133.75729000
         55.97042300
         24.82608100
         11.42832700
          5.33301310
          2.37704300
          1.02242830
          0.41080326
          0.16432131
   0.00037715  -0.00013120   0.00003594  -0.00010030   0.00013157  -0.00041330   0.00010659
   0.00327126  -0.00113620   0.00036074  -0.00076650   0.00141906  -0.00082960  -0.01002980
   0.01764583  -0.00621350   0.00169903  -0.00476310   0.00621908  -0.02010630   0.00566809
   0.06839273  -0.02448800   0.00784964  -0.01643790   0.03109933  -0.01633460  -0.24229360
   0.19064458  -0.07143330   0.01909734  -0.05612300   0.06947198  -0.26870800   0.13765595
   0.35750456  -0.14013690   0.04828872  -0.08952080   0.19777364   0.06059303  -2.31237200
   0.38377277  -0.16026200   0.03145694  -0.16146580   0.15453320  -1.44099800   5.15806760
   0.15936984   0.06295882   0.01393116   0.14706821  -0.02192680   4.18893030  -5.16255400
   0.01062404   0.44137971  -0.23685040   0.38434122  -2.14132700  -4.78593400   3.33304330
  -0.00299250   0.49132116  -0.02349550   0.73445012   3.47591280   3.23427310  -1.71474300
  -0.00126490   0.15294265  -0.36461890  -2.21479500  -2.50961900  -1.53952500   0.73195483
   0.00003735   0.00303576   1.24565140   1.26468490   0.90355150   0.47417261  -0.21928200
    2
 -24.61603000  -2.29839000
* d-type functions
    9    7
        133.76344000
         39.85558000
         14.84229100
          6.10432040
          2.63346540
          1.12542050
          0.46283239
          0.17348366
          0.06939346
   0.00201130  -0.00170840   0.00267915  -0.00350970   0.00500764  -0.00978680   0.03112036
   0.01567022  -0.01348740   0.02069035  -0.02789880   0.04252775  -0.05798750   0.02518943
   0.06409818  -0.05530630   0.08933007  -0.12151440   0.18629101  -0.41563810   1.57690960
   0.17410773  -0.15557910   0.24607470  -0.35382810   0.58827463  -0.69261280  -2.66321100
   0.30417346  -0.24828580   0.32935168  -0.24063580  -0.36414350   2.21532210   2.43995690
   0.35270248  -0.18192950  -0.08949310   0.70354360  -1.06252000  -2.50207900  -1.61070900
   0.29737317   0.20530572  -0.60076090   0.30735513   1.84031180   1.78558440   0.85610532
   0.14783720   0.42426317  -0.22570520  -1.33457600  -1.56111000  -0.97869690  -0.39665100
   0.03441840   0.46409351   0.83600384   0.98704959   0.72785840   0.37709614   0.14207307
    1
  -0.38285000
* f-type functions
    4    4
          4.93352430
          1.51618020
          0.46595541
          0.18638216
   0.15254933  -0.31745370   0.58952224  -0.94330290
   0.50262587  -0.53486400   0.05061644   1.15783050
   0.49770206   0.28395092  -0.98811800  -1.04956200
   0.16669833   0.62401464   1.00642820   0.62350044
    0

/Fe.ANO-S.Pierloot.17s12p9d4f.8s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
IRON (17s,12p,9d,4f) -> [8s,7p,7d,4f]
Options
OrbitalEnergies
EndOptions
    26.0   3
* s-type functions
   17    8
     906706.97000000
     135836.13000000
      30913.75500000
       8754.31480000
       2854.60620000
       1029.39650000
        400.23829000
        164.71075000
         70.01751500
         26.39349400
         12.57502700
          5.85031060
          1.97628520
          0.78703843
          0.11246274
          0.04124385
          0.01649754
   0.00006099  -0.00001820   0.00000662  -0.00000150   0.00000133  -0.00000370   0.00000581  -0.00001070
   0.00047373  -0.00014160   0.00005171  -0.00001170   0.00001023  -0.00002760   0.00004469  -0.00011340
   0.00248319  -0.00074230   0.00026962  -0.00006080   0.00005435  -0.00015590   0.00023801  -0.00036320
   0.01035568  -0.00312180   0.00114327  -0.00025820   0.00022488  -0.00059290   0.00098183  -0.00282660
   0.03634182  -0.01111960   0.00404029  -0.00091030   0.00082019  -0.00240610   0.00359647  -0.00417770
   0.10707468  -0.03442550   0.01272507  -0.00287770   0.00248390  -0.00635440   0.01084965  -0.03637310
   0.24999725  -0.08911170   0.03279986  -0.00739220   0.00674713  -0.02054180   0.02972880  -0.01696240
   0.39477472  -0.18126350   0.07020152  -0.01595650   0.01348615  -0.03196730   0.05931574  -0.26933600
   0.30300892  -0.20376370   0.08013125  -0.01810410   0.01767758  -0.06360280   0.07960669   0.18774572
   0.05322214   0.15452989  -0.06310990   0.01400365  -0.01796520   0.09843930  -0.07895040  -1.12698200
  -0.01191230   0.62043525  -0.42892730   0.10476136  -0.07995260   0.11734868  -0.43586560   5.01237840
   0.00136286   0.37378090  -0.29685080   0.07156953  -0.08959300   0.47061122  -0.39233600  -6.50881200
  -0.00094000   0.02177677   0.68529300  -0.21042750   0.26304511  -1.56641500   2.65306520   4.48864020
   0.00065732  -0.00712450   0.57917981  -0.28962520   0.17698708   0.97365353  -2.74877900  -2.13052600
  -0.00010310   0.00059638   0.02712350   0.61528615  -1.04593100   1.49712810   2.35270930   0.75785163
   0.00008302  -0.00050060  -0.01266650   0.41019784  -0.01733680  -3.03603400  -2.73342500  -0.65398960
  -0.00003080   0.00018404   0.00489881   0.13874197   1.15963310   1.83047780   1.31143940   0.26312569
    4
 -26.117279e1 -31.71379000  -3.95726000  -0.23013000
* p-type functions
   12    7
       5020.97050000
       1189.87480000
        385.60324000
        146.36388000
         61.28163400
         27.21176100
         12.54573800
          5.86037440
          2.61941880
          1.12812370
          0.45272171
          0.18108869
   0.00037505  -0.00012940   0.00003795  -0.00010470   0.00014877  -0.00038380   0.00025247
   0.00325518  -0.00112220   0.00037647  -0.00081970   0.00132294  -0.00080170  -0.01046410
   0.01759003  -0.00614760   0.00180021  -0.00498610   0.00708291  -0.01860640   0.01213653
   0.06834385  -0.02430920   0.00822264  -0.01770380   0.02889995  -0.01586640  -0.24998860
   0.19110177  -0.07119560   0.02043133  -0.05895200   0.08267285  -0.24848430   0.24581957
   0.35918008  -0.14035890   0.05067734  -0.09838710   0.16999134   0.05202681  -2.53418400
   0.38460706  -0.15924600   0.03490195  -0.16581270   0.25532598  -1.43575500   5.38489650
   0.15778189   0.06847733   0.00923192   0.14694801  -0.25668900   4.21569920  -5.31912600
   0.00773995   0.44534958  -0.24522540   0.48415513  -1.86215200  -4.92182600   3.42479140
  -0.00583360   0.48752147  -0.03722510   0.55456161   3.33675760   3.41684760  -1.76542900
  -0.00214760   0.15002478  -0.31280370  -2.09350800  -2.53097500  -1.66853600   0.75778184
   0.00002606   0.00301701   1.21562040   1.24696350   0.93970914   0.52244867  -0.22837040
    2
 -27.19588000  -2.54507000
* d-type functions
    9    7
        145.81692000
         43.47402200
         16.21083300
          6.68189340
          2.88005260
          1.22479720
          0.49861638
          0.18429552
          0.07371821
   0.00211406  -0.00213030   0.00283356  -0.00377790   0.00490158  -0.01036100   0.03141906
   0.01651630  -0.01675630   0.02208498  -0.03089550   0.04361849  -0.04539820   0.00810963
   0.06766020  -0.06939660   0.09535278  -0.13201890   0.18381686  -0.42821520   1.59773220
   0.18172248  -0.19232180   0.26462165  -0.40283320   0.64494633  -0.58418530  -2.67100900
   0.31012418  -0.29849780   0.31341311  -0.15163390  -0.68166160   2.08908270   2.43919110
   0.35083535  -0.15768630  -0.23451380   0.87652200  -0.59542620  -2.49731100  -1.62148400
   0.29129592   0.30807574  -0.61165860  -0.14385640   1.57411140   1.90916350   0.88092516
   0.14624385   0.48638278   0.10431111  -1.01107200  -1.61135000  -1.15058900  -0.42679980
   0.02970120   0.28072431   0.71315798   0.97799449   0.86755691   0.48594439   0.16074965
    1
  -0.40639000
* f-type functions
    4    4
          5.61618920
          1.74145400
          0.53998574
          0.21599430
   0.15428661  -0.34762900   0.63814024  -0.90624970
   0.50949360  -0.53705190  -0.06902450   1.16595170
   0.49265380   0.35959901  -0.88788130  -1.12656600
   0.15886920   0.55752474   0.99551807   0.70394437
    0

/Co.ANO-S.Pierloot.17s12p9d4f.7s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
COBALT (17s,12p,9d,4f) -> [7s,7p,7d,4f]
Options
OrbitalEnergies
EndOptions
    27.0   3
* s-type functions
   17    7
     976441.49000000
     146283.40000000
      33291.37700000
       9427.62970000
       3074.17060000
       1108.59370000
        431.06577000
        177.43445000
         75.45392500
         28.37069100
         13.54927600
          6.32005240
          2.15965750
          0.85749674
          0.12099791
          0.04376480
          0.01750592
   0.00005381  -0.00002580   0.00002355  -0.00000150   0.00000131  -0.00000400   0.00000590
   0.00041796  -0.00020070   0.00018328  -0.00001170   0.00001009  -0.00002990   0.00004623
   0.00219070  -0.00105320   0.00095971  -0.00006100   0.00005350  -0.00016810   0.00024009
   0.00912998  -0.00439890   0.00403401  -0.00025910   0.00022175  -0.00064550   0.00102430
   0.03199716  -0.01553560   0.01428443  -0.00091380   0.00080717  -0.00258780   0.00359583
   0.09387234  -0.04643950   0.04380641  -0.00288740   0.00245194  -0.00694820   0.01145955
   0.21694270  -0.11265390   0.11032044  -0.00742610   0.00664178  -0.02203470   0.02932339
   0.33242720  -0.19491070   0.21464037  -0.01601040   0.01334947  -0.03538110   0.06443413
   0.23894252  -0.17808060   0.22586868  -0.01814000   0.01729786  -0.06703170   0.07229344
   0.08908404   0.05701117  -0.14956090   0.01497317  -0.01816830   0.10325761  -0.05357720
   0.12006167   0.16590660  -0.73445400   0.10556287  -0.08055870   0.14868502  -0.54412130
   0.07549996   0.07543827  -0.45217360   0.06827727  -0.08339080   0.46862859  -0.22146900
   0.07527980   0.46035259   0.51183101  -0.21006230   0.25352241  -1.66316300   2.47141380
   0.05698730   0.36409753   0.43986537  -0.28197790   0.17502379   1.07871790  -2.63356000
   0.00271598   0.01726529   0.01963956   0.61057652  -1.01654800   1.38205530   2.34529640
  -0.00128240  -0.00830930  -0.00890620   0.41374973  -0.05654500  -2.88743700  -2.79110600
   0.00050538   0.00320279   0.00357443   0.13817803   1.17663400   1.75721950   1.36633730
    4
 -28.285035e1 -34.62979000  -4.29857000  -0.23266000
* p-type functions
   12    7
       5468.58430000
       1295.93270000
        420.01172000
        159.47474000
         66.80670300
         29.69482100
         13.70911400
          6.40892070
          2.87080150
          1.23727530
          0.49602526
          0.19841011
   0.00037219  -0.00013110   0.00003900  -0.00010800   0.00016211  -0.00037620   0.00005552
   0.00323240  -0.00113820   0.00038549  -0.00085250   0.00128047  -0.00132660  -0.00959530
   0.01749318  -0.00624290   0.00185418  -0.00515370   0.00776599  -0.01847040   0.00120803
   0.06811422  -0.02474960   0.00845208  -0.01849190   0.02791889  -0.02875470  -0.23054280
   0.19095622  -0.07266260   0.02118967  -0.06116240   0.09257079  -0.24309130   0.09062323
   0.35951596  -0.14370200   0.05232976  -0.10393800   0.15603308  -0.06680190  -2.22316300
   0.38386233  -0.16153750   0.03656127  -0.17213140   0.32490944  -1.12677700   5.16853250
   0.15685101   0.07220997   0.00664268   0.15348643  -0.44672310   3.90832180  -5.37980600
   0.00908275   0.44858684  -0.25264180   0.54886877  -1.62147000  -4.81142100   3.63164360
  -0.00405020   0.48404945  -0.03803950   0.42831139   3.20087930   3.45569590  -1.93677700
  -0.00160690   0.14768866  -0.28935250  -2.00325900  -2.52540200  -1.73287900   0.84822402
   0.00004451   0.00298173   1.20091350   1.22724870   0.95815594   0.55111994  -0.25791090
    2
 -29.88594000  -2.79621000
* d-type functions
    9    7
        159.62855000
         47.62350700
         17.78842500
          7.34877390
          3.16799470
          1.34410040
          0.54402906
          0.19934594
          0.07973837
   0.00217672  -0.00228640   0.00285240  -0.00386240   0.00521521  -0.01079190   0.02752891
   0.01707973  -0.01807600   0.02245120  -0.03251020   0.04576101  -0.04053800   0.02901964
   0.07019299  -0.07525590   0.09675494  -0.13673650   0.20238372  -0.46234740   1.56347330
   0.18711842  -0.20719230   0.26948111  -0.42891310   0.67023442  -0.45331550  -2.66535300
   0.31432834  -0.30879290   0.30382671  -0.09832020  -0.86289510   1.94154860   2.46987220
   0.35012068  -0.12917890  -0.28132580   0.91019361  -0.32534720  -2.44948600  -1.66712800
   0.28731309   0.33730026  -0.57604590  -0.27263760   1.38343420   1.96702400   0.92178060
   0.14161664   0.46917057   0.14495827  -0.90140790  -1.55882500  -1.25234600  -0.45775570
   0.02708533   0.26218358   0.69803189   0.93836681   0.87962453   0.55119810   0.17658971
    1
  -0.43394000
* f-type functions
    4    4
          6.36800780
          1.99274090
          0.62358848
          0.24943539
   0.16078666  -0.36774430   0.66446681  -0.88490290
   0.51879214  -0.52406030  -0.13858000   1.17542450
   0.48145191   0.39894847  -0.82877520  -1.17316900
   0.15247452   0.52682076   0.98373449   0.74711345
    0

/Ni.ANO-S.Pierloot.17s12p9d4f.7s7p7d4f.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
NICKEL (17s,12p,9d,4f) -> [7s,7p,7d,4f]
Options
OrbitalEnergies
EndOptions
    28.0   3
* s-type functions
   17    7
    1048516.60000000
     157081.28000000
      35748.78600000
      10123.53900000
       3301.10350000
       1190.45020000
        462.93093000
        190.58943000
         81.07763100
         30.41230500
         14.55088500
          6.80134800
          2.34832200
          0.92972800
          0.12949200
          0.04623100
          0.01849240
   0.00005723  -0.00002860   0.00000687  -0.00000150   0.00000130  -0.00000420   0.00000564
   0.00044450  -0.00022270   0.00005366  -0.00001170   0.00001005  -0.00003140   0.00004424
   0.00233003  -0.00116740   0.00027985  -0.00006080   0.00005331  -0.00017640   0.00022896
   0.00971168  -0.00489560   0.00118651  -0.00025820   0.00022091  -0.00067640   0.00098112
   0.03405384  -0.01734190   0.00419502  -0.00091170   0.00080454  -0.00271690   0.00342439
   0.10002090  -0.05278280   0.01321519  -0.00287900   0.00244328  -0.00727880   0.01099010
   0.23187433  -0.13193910   0.03410978  -0.00742070   0.00662581  -0.02316240   0.02785542
   0.35809132  -0.24881700   0.07299970  -0.01598280   0.01330916  -0.03705060   0.06205515
   0.26236997  -0.25320700   0.08282685  -0.01813120   0.01722040  -0.07046810   0.06757342
   0.08019811   0.15740327  -0.07315500   0.01601082  -0.01895010   0.11174096  -0.04740950
   0.09457882   0.61782909  -0.44963180   0.10611790  -0.08074370   0.15456563  -0.52605680
   0.06241829   0.35065304  -0.27837050   0.06555158  -0.08032490   0.49361733  -0.22861490
   0.00290144   0.02240032   0.69847981  -0.21139940   0.25143465  -1.76429200   2.41879980
  -0.00008770  -0.00433460   0.56855062  -0.27445160   0.16868945   1.18073280  -2.57927000
  -0.00000260   0.00056568   0.02541647   0.61294937  -0.99802150   1.26966640   2.35038030
   0.00000339  -0.00044550  -0.01192400   0.40818300  -0.07359240  -2.75083500  -2.85291400
  -0.00000160   0.00016680   0.00471185   0.14082512   1.18178310   1.69407150   1.42004160
    4
 -30.539483e1 -37.67074000  -4.65409000  -0.23576000
* p-type functions
   12    7
       5933.62550000
       1406.11900000
        455.75999000
        173.09765000
         72.54892100
         32.27677000
         14.91925500
          6.97923400
          3.13179100
          1.35040100
          0.54082600
          0.21633040
   0.00037167  -0.00012710   0.00004117  -0.00011030   0.00016602  -0.00034550   0.00033117
   0.00322970  -0.00110430   0.00040229  -0.00087820   0.00124307  -0.00087610  -0.01042520
   0.01750398  -0.00606730   0.00196202  -0.00527400   0.00796042  -0.01679690   0.01615829
   0.06829583  -0.02412820   0.00884889  -0.01915130   0.02717787  -0.01797670  -0.25082130
   0.19196068  -0.07112900   0.02260243  -0.06289820   0.09628406  -0.22357910   0.32245532
   0.36201606  -0.14132570   0.05482285  -0.10861070   0.14716653   0.01223864  -2.69890000
   0.38552196  -0.15772770   0.04016450  -0.17538340   0.36474513  -1.34899100   5.58285360
   0.15481577   0.07805793   0.00136871   0.16190470  -0.55570830   4.15837910  -5.50728900
   0.00355468   0.45148357  -0.26158750   0.59037543  -1.47594700  -5.03328000   3.56679520
  -0.00965610   0.48077266  -0.04989970   0.33070585   3.12064780   3.62477010  -1.84769100
  -0.00330890   0.14560009  -0.23920030  -1.93495700  -2.53351800  -1.83296800   0.79855722
   0.00001201   0.00296830   1.17053840   1.22708210   0.97914508   0.58761391  -0.24247080
    2
 -32.69900000  -3.05979000
* d-type functions
    9    7
        174.16516000
         51.99263200
         19.45170000
          8.05210400
          3.47190700
          1.47035700
          0.59233100
          0.21544200
          0.08617680
   0.00222769  -0.00248230   0.00283240  -0.00395100   0.00544550  -0.01125750   0.03036908
   0.01755001  -0.01968610   0.02243367  -0.03344890   0.04499177  -0.03405430   0.00747112
   0.07234672  -0.08240840   0.09677841  -0.14016990   0.20940120  -0.46669530   1.59115370
   0.19160536  -0.22578710   0.27164942  -0.45174010   0.68265537  -0.40137820  -2.68580300
   0.31760951  -0.32578380   0.28294319  -0.04566560  -0.98205300   1.86726930   2.47823410
   0.34861133  -0.10152840  -0.33144840   0.92852625  -0.12862490  -2.41888500  -1.67171800
   0.28322993   0.37922782  -0.53355240  -0.38885750   1.23864370   1.99956040   0.92870370
   0.14007639   0.45423706   0.20897341  -0.79190710  -1.52544300  -1.32270600  -0.46804210
   0.02618769   0.21751231   0.67641046   0.90881491   0.89905364   0.60135268   0.18388591
    1
  -0.45730000
* f-type functions
    4    4
          7.16382230
          2.25468690
          0.70962297
          0.28384919
   0.16263193  -0.37502300   0.67735408  -0.87625770
   0.52134208  -0.52123180  -0.17045530   1.18028020
   0.47728424   0.41628119  -0.80055020  -1.19502400
   0.15086338   0.51250484   0.97636731   0.76848514
    0

/Cu.ANO-S.Pierloot.17s12p9d4f.8s8p8d4f.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
COPPER (17s,12p,9d,4f) -> [8s,8p,8d,4f]
Options
OrbitalEnergies
EndOptions
    29.0   3
* s-type functions
   17    8
    1123002.30000000
     168240.34000000
      38288.39900000
      10842.72800000
       3535.62920000
       1275.04720000
        495.86540000
        204.18880000
         86.89450400
         32.52275800
         15.58175400
          7.29476960
          2.54244720
          1.00384190
          0.13797997
          0.04865692
          0.01946277
   0.00006145  -0.00001850   0.00000705  -0.00000140   0.00000136  -0.00000550   0.00000572  -0.00001130
   0.00047732  -0.00014380   0.00005511  -0.00001120   0.00001051  -0.00004230   0.00004737  -0.00011020
   0.00250209  -0.00075360   0.00028739  -0.00005820   0.00005554  -0.00022860   0.00022648  -0.00042630
   0.01043364  -0.00317090   0.00121845  -0.00024710   0.00023143  -0.00092590   0.00108032  -0.00263810
   0.03661524  -0.01129120   0.00430811  -0.00087210   0.00083690  -0.00346700   0.00326397  -0.00555470
   0.10784993  -0.03500660   0.01357098  -0.00275590   0.00256607  -0.01021860   0.01264290  -0.03320690
   0.25159030  -0.09063370   0.03502560  -0.00710180   0.00687721  -0.02872200   0.02451422  -0.03218260
   0.39576143  -0.18464250   0.07489909  -0.01531470   0.01406429  -0.05556020   0.07857854  -0.23698350
   0.30130490  -0.20446480   0.08456814  -0.01728400   0.01758367  -0.07805400   0.03677268   0.07449374
   0.05143264   0.17558774  -0.07838320   0.01605306  -0.01930650   0.09701011   0.06446571  -0.69614530
  -0.01297960   0.62576702  -0.46097030   0.10234308  -0.08876300   0.37894124  -0.93774940   4.41401400
   0.00145565   0.34722206  -0.26889380   0.05912520  -0.07450830   0.35788394   0.49587775  -6.36805500
  -0.00131750   0.02453754   0.70398153  -0.19899380   0.25437536  -2.07736100   1.56901980   4.76961720
   0.00040266  -0.00171250   0.56298608  -0.26034870   0.17091768   1.59393040  -2.06687600  -2.35811100
  -0.00010880   0.00059860   0.02539416   0.56784084  -0.97055380   0.81169065   2.43531490   0.94306720
   0.00008330  -0.00043810  -0.01192740   0.39319447  -0.17661470  -2.14397200  -3.21107100  -0.89364630
  -0.00003190   0.00016680   0.00479230   0.20573843   1.21615040   1.37087600   1.66341180   0.39273807
    4
 -32.879173e1 -40.81804000  -5.01126000  -0.23795000
* p-type functions
   12    8
       6416.12750000
       1520.44190000
        492.85084000
        187.23370000
         78.50875700
         34.95782300
         16.17625400
          7.57136960
          3.40245480
          1.46755370
          0.58714218
          0.23485687
   0.00036896  -0.00013030   0.00004471  -0.00011380   0.00018237  -0.00032530   0.00000244  -0.00339750
   0.00320768  -0.00113240   0.00043029  -0.00089350   0.00109709  -0.00181290   0.00898063   0.01591938
   0.01740606  -0.00622710   0.00213568  -0.00543080   0.00864253  -0.01646830  -0.00013870  -0.17934500
   0.06803207  -0.02480970   0.00948720  -0.01952330   0.02380024  -0.04047820   0.22243205   0.38592444
   0.19160374  -0.07323880   0.02479139  -0.06494200   0.10676942  -0.21945440  -0.04793220  -2.97021900
   0.36171945  -0.14575690   0.05867270  -0.11033450   0.11140162  -0.18831420   2.13605900   5.55463410
   0.38405261  -0.16118170   0.04636856  -0.19184640   0.48954141  -0.82373940  -5.14702500  -5.60053400
   0.15431239   0.08061974  -0.00513320   0.17279588  -0.83028790   3.59998430   5.53329300   3.90479310
   0.00679142   0.45375578  -0.28404380   0.67982709  -1.13361800  -4.74363400  -3.89281600  -2.14694900
  -0.00592930   0.47788917  -0.05376130   0.14689112   2.91488490   3.58758840   2.16430780   1.02713120
  -0.00218510   0.14400215  -0.17689550  -1.79955900  -2.51515600  -1.88946100  -0.98212090  -0.42819460
   0.00003863   0.00295708   1.12927630   1.21181120   1.00385590   0.62162297   0.30498691   0.12934403
    2
 -35.61699000  -3.32415000
* d-type functions
    9    8
        189.35533000
         56.55984700
         21.19206100
          8.78823970
          3.79006700
          1.60266530
          0.64303656
          0.23235539
          0.09294216
   0.00227330  -0.00277760   0.00324621  -0.00421310   0.00683953  -0.01240830   0.02723530  -0.12671820
   0.01797865  -0.02214960   0.02670598  -0.03759620   0.04685376  -0.01905510   0.02384702   1.66245380
   0.07430220  -0.09306470   0.11236422  -0.15316530   0.27431678  -0.53305160   1.54105520  -2.01994400
   0.19566510  -0.25404870   0.33091949  -0.51986790   0.68111750  -0.06094990  -2.67964600   1.59202900
   0.32061863  -0.35290080   0.25810885   0.19261153  -1.39276900   1.39348280   2.55771870  -1.01942000
   0.34827259  -0.05798330  -0.54374760   0.89045226   0.65486766  -2.16454300  -1.80501600   0.55960394
   0.28083487   0.44487091  -0.40166180  -0.81532620   0.55015061   2.08503760   1.06637400  -0.27270450
   0.13664795   0.43791429   0.47853170  -0.28704870  -1.25243500  -1.63627100  -0.58707130   0.12667155
   0.01997332   0.11930492   0.44054684   0.78748585   0.94289303   0.86239427   0.25219747  -0.04861420
    1
  -0.49074000
* f-type functions
    4    4
          8.05372360
          2.54267940
          0.80276139
          0.32110456
   0.17533646  -0.42239880   0.73582890  -0.80472120
   0.54971430  -0.49110420  -0.35319490   1.14415470
   0.46465349   0.54684146  -0.59746520  -1.26764800
   0.10902639   0.39739510   0.93063805   0.89151877
    0

/Zn.ANO-S.Pierloot.17s12p9d4f.8s8p8d4f.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
ZINC (17s,12p,9d,4f) -> [8s,8p,8d,4f]
Options
OrbitalEnergies
EndOptions
    30.0   3
* s-type functions
   17    8
    1199478.90000000
     179697.65000000
      40895.87800000
      11581.13500000
       3776.42260000
       1361.90750000
        529.68448000
        218.15748000
         92.87265400
         34.68115100
         16.63109200
          7.79516440
          2.74039730
          1.07889200
          0.14607167
          0.05092587
          0.02037035
   0.00006267  -0.00001460   0.00000743  -0.00000160   0.00000245  -0.00000630   0.00000448  -0.00001060
   0.00048678  -0.00011370   0.00005799  -0.00001250   0.00001848  -0.00004810   0.00004502  -0.00010320
   0.00255165  -0.00059600   0.00030261  -0.00006550   0.00010119  -0.00026220   0.00015848  -0.00038090
   0.01064174  -0.00251400   0.00128196  -0.00027740   0.00040187  -0.00104820   0.00110328  -0.00249870
   0.03735473  -0.00898470   0.00453753  -0.00098240   0.00154494  -0.00399670   0.00194942  -0.00485710
   0.11012060  -0.02822120   0.01427753  -0.00309200   0.00438317  -0.01146970   0.01394063  -0.03125710
   0.25734045  -0.07478730   0.03691731  -0.00801600   0.01299152  -0.03357610   0.01011545  -0.02821060
   0.40682800  -0.15966570   0.07872166  -0.01715770   0.02307669  -0.06109920   0.09984902  -0.22158490
   0.31270353  -0.18424080   0.08879690  -0.01958540   0.03683240  -0.09461790  -0.05313690   0.08733899
   0.03937555   0.18432803  -0.08700360   0.01972101  -0.05493210   0.13324176   0.36680411  -0.79178020
  -0.05200530   0.61882730  -0.47822770   0.11447061  -0.11875240   0.38772220  -1.68213500   4.46723210
  -0.01944820   0.33452359  -0.26746430   0.06610483  -0.21033520   0.51718597   1.85504790  -6.32902100
  -0.00328120   0.03489871   0.71776818  -0.23289590   0.72642821  -2.79256600  -0.42307150   4.68680860
   0.00012360   0.00732322   0.55395916  -0.28476730  -0.14553450   2.59567600  -0.48189210  -2.30965200
  -0.00015090   0.00081395   0.01882248   0.75475765  -1.73030100  -1.06267000   1.57292510   1.12945940
   0.00011300  -0.00055050  -0.01006900   0.38709902   1.84185730   0.19842280  -3.13121800  -1.45311600
  -0.00004310   0.00020553   0.00363279  -0.00319770  -0.12765450   0.45227064   2.29538690   0.87970717
    4
 -35.330398e1 -44.36188000  -5.63777000  -0.29249000
* p-type functions
   12    8
       6916.44680000
       1638.98520000
        531.31141000
        201.89326000
         84.69062000
         37.74000000
         17.48101200
          8.18572850
          3.68275960
          1.58856190
          0.63498701
          0.25399480
   0.00036542  -0.00013640   0.00004168  -0.00011310   0.00016873  -0.00032650   0.00031811  -0.00372190
   0.00317841  -0.00118710   0.00040423  -0.00090660   0.00123231  -0.00094430  -0.01013010   0.02208148
   0.01726576  -0.00653010   0.00199444  -0.00542820   0.00812088  -0.01590890   0.01540498  -0.20124650
   0.06758790  -0.02605660   0.00894394  -0.01990890   0.02710067  -0.01990630  -0.24473690   0.51808113
   0.19066798  -0.07692710   0.02323058  -0.06522800   0.09932074  -0.21149860   0.31657648  -3.20402700
   0.36022207  -0.15322520   0.05572170  -0.11432220   0.14610387  -0.01812920  -2.70376200   5.53534520
   0.38135196  -0.16780650   0.04190615  -0.18298090   0.39578772  -1.27820100   5.62179130  -5.21391400
   0.15455233   0.08198239  -0.00420040   0.17931907  -0.68297500   4.09989390  -5.58306200   3.45988250
   0.01339065   0.45859667  -0.26130150   0.64296385  -1.28459900  -5.06317700   3.63739150  -1.85190500
   0.00117390   0.47692707  -0.05824880   0.19693560   3.00784480   3.70831180  -1.88589000   0.87235670
  -0.00006450   0.13711820  -0.19997610  -1.83456800  -2.54104900  -1.90724200   0.81573703  -0.36058280
   0.00007511   0.00173292   1.14742260   1.20619660   1.00823450   0.62001697  -0.24854290   0.10878738
    2
 -38.92494000  -3.83931000
* d-type functions
    9    8
        205.67236000
         61.46797900
         23.06583400
          9.58183270
          4.13457190
          1.74719120
          0.69928790
          0.25157190
          0.10062876
   0.00234859  -0.00318030   0.00321031  -0.00445120   0.00768777  -0.01238820   0.02793582  -0.12765210
   0.01865181  -0.02539250   0.02657904  -0.03844490   0.04587156  -0.01197900   0.01993754   1.66647760
   0.07731841  -0.10803420   0.11285597  -0.16494070   0.31419388  -0.53109890   1.54054710  -2.02546900
   0.20286979  -0.29395270   0.34537213  -0.54675760   0.65729323   0.08009792  -2.68178000   1.59462480
   0.32943303  -0.37923580   0.17465275   0.30857452  -1.60016600   1.10854370   2.56503020  -1.01708200
   0.35469539   0.03693332  -0.62106620   0.85877315   1.12997430  -1.91429600  -1.82077800   0.55529710
   0.27292675   0.52844394  -0.25353550  -1.04689000   0.04881971   2.01920710   1.09644330  -0.27025840
   0.11252993   0.35331522   0.62916272   0.08026821  -0.95485190  -1.79023400  -0.63753250   0.12767939
   0.00657270   0.03868395   0.31970343   0.62933797   0.89203165   1.06524080   0.29776031  -0.05074970
    1
  -0.78256000
* f-type functions
    4    4
          9.01552060
          2.85340530
          0.90310055
          0.36124022
   0.17854304  -0.38922480   0.70569210  -0.84876230
   0.54595473  -0.49883020  -0.25358970   1.17275690
   0.45911172   0.49085819  -0.71430050  -1.23448400
   0.12087716   0.46411602   0.95935485   0.82550871
    0

/Ga.ANO-S.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
GALLIUM (17s,15p,9d) -> [9s,9p,5d]
Options
OrbitalEnergies
EndOptions
    31.0   2
* s-type functions
   17    9
     468114.70000000
      67631.20100000
      19432.17800000
       6630.41550000
       2423.36020000
        916.69354000
        353.63986000
        138.11156000
         54.38177600
         21.53599200
          8.56418400
          3.41636500
          1.36611300
          0.54730400
          0.21959800
          0.08821800
          0.03547600
   0.00022079  -0.00008970   0.00003773  -0.00000640   0.00000618  -0.00000890   0.00001246  -0.00002760   0.00007121
   0.00154746  -0.00063080   0.00026470  -0.00004460   0.00004314  -0.00006120   0.00008551  -0.00021640   0.00040030
   0.00542675  -0.00220840   0.00093325  -0.00015830   0.00015380  -0.00022550   0.00031447  -0.00061250   0.00207606
   0.01890022  -0.00780800   0.00328279  -0.00055310   0.00053339  -0.00074550   0.00104382  -0.00291420   0.00399934
   0.05932955  -0.02484550   0.01063777  -0.00181360   0.00176395  -0.00260560   0.00363303  -0.00664830   0.02608691
   0.16352156  -0.07301670   0.03157877  -0.00536500   0.00517174  -0.00719560   0.01009965  -0.02935540   0.03834300
   0.34829921  -0.17715310   0.08152310  -0.01422640   0.01386369  -0.02065520   0.02885661  -0.04997020   0.22425846
   0.38211826  -0.27710640   0.13825324  -0.02450100   0.02355298  -0.03182080   0.04508171  -0.15988200   0.10323738
   0.11468546  -0.02348860   0.01436526  -0.00331790   0.00384040  -0.01154510   0.01460301   0.13278987   0.27436915
   0.06495193   0.61926406  -0.54382070   0.11721059  -0.11697780   0.19020823  -0.27637570   0.30689188  -3.46621600
   0.04512617   0.38402705  -0.47084860   0.10937769  -0.10252220   0.09887829  -0.13488780   1.29735020   6.48945280
   0.00149181   0.07669963   0.66076912  -0.20791890   0.20155668  -0.19410000   0.38849527  -5.03483600  -6.53741400
   0.00649741   0.10164445   0.62398982  -0.33650710   0.41501904  -1.10305300   1.78260490   7.15888490   4.80711440
  -0.00135320  -0.00500140   0.05014155  -0.07057610  -0.02525040   1.67113710  -5.25135800  -6.26185200  -3.00915900
   0.00095943   0.00712768   0.00394894   0.58894520  -1.49439000   0.76459179   6.52396930   4.15676680   1.68930930
  -0.00045770  -0.00344820  -0.00229300   0.53553452   0.53177227  -3.01590900  -4.88180000  -2.14255400  -0.79464160
   0.00013321   0.00101204   0.00075265   0.07501134   0.90211677   1.98194820   1.87882440   0.65652686   0.23016080
    4
 -37.881805e1 -48.16849000  -6.39460000  -0.42446000
* p-type functions
   15    9
       5732.16650000
       1398.11260000
        512.64832000
        208.14235000
         88.02515100
         37.99319400
         16.59065400
          7.29764800
          3.22559700
          1.43058200
          0.63604600
          0.28331500
          0.12637700
          0.05643600
          0.02522500
   0.00057911  -0.00022840   0.00003467  -0.00004040   0.00004698  -0.00007970   0.00009617  -0.00017180   0.00066062
   0.00428529  -0.00169950   0.00025748  -0.00030160   0.00033496  -0.00051110   0.00078961  -0.00220060   0.00170992
   0.01823950  -0.00729060   0.00110957  -0.00129020   0.00151463  -0.00261630   0.00302861  -0.00479550   0.02449086
   0.06902220  -0.02825530   0.00429907  -0.00503600   0.00557565  -0.00844990   0.01315805  -0.03767160   0.03179009
   0.19989591  -0.08511090   0.01306413  -0.01519210   0.01779035  -0.03064420   0.03583874  -0.06013060   0.30286694
   0.39589766  -0.17991190   0.02776937  -0.03259880   0.03573769  -0.05323030   0.08880631  -0.27319170   0.12324975
   0.38296075  -0.16589260   0.02557201  -0.02962820   0.03831012  -0.07835590   0.06353811   0.08676636   0.64044841
   0.10873642   0.18883889  -0.03712030   0.04220842  -0.05716230   0.13597445  -0.10240230  -0.09489200  -3.39920500
   0.01222073   0.51509328  -0.09651330   0.11747027  -0.10981930   0.09587670  -0.43071890   2.38713360   5.01624710
   0.00600678   0.37921899  -0.08812530   0.10662841  -0.21815480   0.74007852  -0.49020230  -4.91986700  -4.49281300
   0.00119911   0.08109375   0.01808525   0.01406959   0.12122910  -1.58991600   3.28861370   5.22291660   3.21641510
   0.00001474   0.00270974   0.21281776  -0.59384270   0.99981770  -0.22621740  -5.18782800  -4.16051900  -2.08189000
   0.00003401   0.00083907   0.42115394  -0.24475670  -0.15983890   2.68233710   5.00717110   2.80637530   1.23575280
  -0.00001490  -0.00009950   0.27732835  -0.06788510  -1.79426600  -2.93833800  -3.27514600  -1.50111900  -0.61438200
   0.00000477   0.00005254   0.26049963   0.96082458   1.46855610   1.27939720   1.15368020   0.47640477   0.18902317
    3
 -42.49412000  -4.48235000  -0.20849000
* d-type functions
    9    5
        210.95348000
         64.41654200
         24.83859900
         10.15281700
          4.24793500
          1.79818800
          0.76628000
          0.32790500
          0.14070700
   0.00274777  -0.00071020   0.00099954  -0.00049800   0.00573037
   0.02005518  -0.00551720   0.00752593  -0.01393250  -0.00923120
   0.08194720  -0.02125680   0.02990993  -0.01422880   0.16791324
   0.22593043  -0.06321570   0.08428069  -0.17251950  -0.14381690
   0.35864811  -0.08923330   0.13548259   0.00883847   1.61839350
   0.35351387  -0.11420400   0.14663089  -0.99901010  -2.76289900
   0.22462318   0.00122266   0.12003935   2.53845760   2.05476810
   0.07016622   0.21440919  -1.59389700  -2.20477400  -1.04447500
   0.00717104   0.82416296   1.29057890   0.88240553   0.34535535
    1
  -1.19332000

/Ge.ANO-S.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
GERMANIUM (17s,15p,9d) -> [9s,9p,6d]
Options
OrbitalEnergies
EndOptions
    32.0   2
* s-type functions
   17    9
     513412.49000000
      73761.08200000
      21286.89200000
       7313.55060000
       2694.24260000
       1027.75910000
        399.94561000
        157.58682000
         62.61020200
         25.02042500
         10.04107400
          4.04243000
          1.63141400
          0.65965700
          0.26713900
          0.10831700
          0.04396500
   0.00021274  -0.00008910   0.00003738  -0.00000690   0.00000689  -0.00000980   0.00001311  -0.00002840   0.00007335
   0.00149785  -0.00062910   0.00026321  -0.00004830   0.00004815  -0.00006710   0.00009148  -0.00022570   0.00039380
   0.00518667  -0.00217890   0.00091737  -0.00016940   0.00017047  -0.00024640   0.00032447  -0.00061910   0.00219270
   0.01793559  -0.00762330   0.00319687  -0.00058610   0.00058174  -0.00079710   0.00110543  -0.00300200   0.00356101
   0.05575969  -0.02407260   0.01026859  -0.00190640   0.00192240  -0.00280340   0.00366244  -0.00652990   0.02737161
   0.15358976  -0.07017230   0.03027958  -0.00559750   0.00555006  -0.00756460   0.01057467  -0.02990260   0.03167021
   0.33138935  -0.17137180   0.07853463  -0.01492290   0.01509347  -0.02221440   0.02890943  -0.04894060   0.24043311
   0.38670503  -0.27674660   0.13806501  -0.02662710   0.02626037  -0.03477110   0.05058462  -0.16999740   0.07810973
   0.13150080  -0.06918920   0.04070418  -0.00905770   0.01032703  -0.02169650   0.01900994   0.11966418   0.44411236
   0.06697210   0.57607044  -0.49778140   0.11675514  -0.12243590   0.19889593  -0.25605610   0.26768042  -3.81309100
   0.05670348   0.43267337  -0.54993770   0.14064258  -0.13397120   0.13736167  -0.25355080   1.54353600   6.80804450
   0.00218508   0.07932641   0.57676817  -0.19661830   0.18918525  -0.16638010   0.54902406  -5.39934600  -6.74138500
   0.00845453   0.11463625   0.69311897  -0.39946040   0.53469907  -1.36096100   1.64554890   7.50688460   4.94677800
  -0.00160280  -0.00268660   0.07070214  -0.08102750  -0.09666210   2.16442200  -5.17384300  -6.62282900  -3.11538900
   0.00123170   0.00759866   0.00377600   0.63585475  -1.61647700   0.17970404   6.65808540   4.49921340   1.76388020
  -0.00058960  -0.00370230  -0.00228810   0.51485187   0.77584644  -2.66194400  -5.17554400  -2.37835700  -0.83523320
   0.00017142   0.00109130   0.00081059   0.06717857   0.76941015   1.91846360   2.05810340   0.74358512   0.24247053
    4
 -40.524403e1 -52.15019000  -7.19090000  -0.55331000
* p-type functions
   15    9
       6550.12870000
       1597.02020000
        587.61049000
        239.63393000
        101.83075000
         44.17184100
         19.38734300
          8.57200700
          3.80867800
          1.69806900
          0.75896100
          0.33985700
          0.15240500
          0.06842100
          0.03074500
   0.00051641  -0.00020910   0.00003896  -0.00003980   0.00005016  -0.00008290   0.00010683  -0.00017560   0.00063372
   0.00382496  -0.00155390   0.00028911  -0.00029510   0.00034871  -0.00052780   0.00088667  -0.00215380   0.00169361
   0.01625153  -0.00666570   0.00124514  -0.00127270   0.00162274  -0.00272480   0.00334978  -0.00499450   0.02352350
   0.06183112  -0.02587260   0.00483566  -0.00493500   0.00581147  -0.00877080   0.01495395  -0.03710320   0.03129356
   0.18264555  -0.07954330   0.01499547  -0.01532960   0.01947153  -0.03267910   0.04111012  -0.06543150   0.29641547
   0.37745110  -0.17458400   0.03314675  -0.03385090   0.03943615  -0.05910540   0.10662969  -0.27916940   0.16762345
   0.39889668  -0.18409500   0.03506720  -0.03610820   0.05053285  -0.09301870   0.07749030   0.04563320   0.61540731
   0.13374129   0.14377698  -0.03651820   0.03783736  -0.05968060   0.14002645  -0.11492450  -0.01473510  -3.41673200
   0.01545132   0.50718692  -0.11969000   0.12466518  -0.11996700   0.12993582  -0.55798590   2.30450280   5.12660290
   0.00888941   0.40994761  -0.11700740   0.13193191  -0.28980140   0.76272301  -0.18776140  -4.93241000  -4.69563400
   0.00114895   0.09367184   0.01922562  -0.00985600   0.22457427  -1.84264800   2.91810660   5.46857870   3.40557890
   0.00038766   0.00272107   0.28509076  -0.62746930   1.16515160   0.33104368  -5.00218500  -4.54539200  -2.21180000
  -0.00017290   0.00111478   0.45927777  -0.26944540  -0.79518340   2.23601810   5.11871040   3.17235490   1.31455220
   0.00008695  -0.00020320   0.28170110   0.29989231  -1.19369300  -2.93532000  -3.54851100  -1.74806200  -0.65459000
  -0.00002640   0.00007636   0.12373650   0.75042835   1.33299980   1.43742390   1.32505460   0.56919614   0.20182483
    3
 -46.23602000  -5.16148000  -0.28729000
* d-type functions
    9    5
        244.75713000
         74.71671600
         29.07745200
         12.02427700
          5.09456600
          2.18488300
          0.94354400
          0.40924100
          0.17801300
   0.00246769  -0.00068810   0.00088233  -0.00014650   0.00531252
   0.01837413  -0.00542740   0.00683743  -0.01243890  -0.01424380
   0.07580657  -0.02123060   0.02719196  -0.00389730   0.15842184
   0.21514963  -0.06467680   0.08108645  -0.16772810  -0.14198300
   0.35674050  -0.09768000   0.13765051   0.02124434   1.67821360
   0.36305155  -0.12231760   0.16192422  -1.06721300  -2.85418100
   0.22611346  -0.00673030   0.08147838   2.64984650   2.13430970
   0.06369419   0.29131270  -1.57203000  -2.33720000  -1.08238400
   0.00626097   0.76129077   1.33686150   0.94958524   0.35498466
    1
  -1.63475000

/As.ANO-S.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
ARSENIC (17s,15p,9d) -> [9s,9p,6d]
Options
OrbitalEnergies
EndOptions
    33.0   2
* s-type functions
   17    9
     566875.27000000
      81319.07500000
      23570.85800000
       8145.68990000
       3020.14750000
       1159.85140000
        454.46921000
        180.32733000
         72.15314900
         29.03987100
         11.73776600
          4.75953700
          1.93469300
          0.78795000
          0.32140800
          0.13126800
          0.05366800
   0.00020296  -0.00008610   0.00003590  -0.00000720   0.00000713  -0.00001030   0.00001317  -0.00002920   0.00007520
   0.00142976  -0.00060760   0.00025278  -0.00005030   0.00004970  -0.00007020   0.00009197  -0.00023450   0.00038299
   0.00489810  -0.00208570   0.00087249  -0.00017480   0.00017498  -0.00025660   0.00032287  -0.00061910   0.00229896
   0.01685274  -0.00723700   0.00301869  -0.00060020   0.00058929  -0.00081860   0.00109277  -0.00310130   0.00308781
   0.05201895  -0.02274080   0.00963277  -0.00193930   0.00194799  -0.00288170   0.00359410  -0.00636410   0.02871590
   0.14368741  -0.06601420   0.02831027  -0.00567260   0.00556040  -0.00768340   0.01034610  -0.03063510   0.02558548
   0.31497391  -0.16304070   0.07396927  -0.01522150   0.01534656  -0.02290470   0.02845364  -0.04780220   0.25430127
   0.39217752  -0.27340870   0.13515051  -0.02819710   0.02744414  -0.03699440   0.05187448  -0.18181400   0.05757096
   0.15110734  -0.11137080   0.06434121  -0.01498980   0.01670189  -0.03120640   0.02952087   0.10689378   0.60598964
   0.06433589   0.52958738  -0.44326110   0.11167210  -0.11805790   0.19562927  -0.23870890   0.21951813  -4.12854100
   0.06541718   0.48428439  -0.61377460   0.16948643  -0.15914520   0.18050605  -0.31337230   1.81570450   7.06563870
   0.00303928   0.08238325   0.48191430  -0.17424740   0.15779656  -0.13290160   0.51190610  -5.76633200  -6.87486800
   0.00932769   0.12008913   0.75698131  -0.45472350   0.61302239  -1.53966600   1.83373590   7.75711450   5.01991100
  -0.00164400   0.00079778   0.09672850  -0.10267870  -0.09091930   2.37326980  -5.39831800  -6.76052500  -3.16470100
   0.00137255   0.00742309   0.00303073   0.66642773  -1.69766900   0.01836764   6.88450470   4.57435380   1.79565010
  -0.00065860  -0.00363750  -0.00192140   0.50801138   0.85494505  -2.58683400  -5.37331200  -2.41016300  -0.85026540
   0.00019134   0.00107870   0.00076999   0.06456990   0.73810089   1.90674950   2.14894740   0.74939609   0.24592800
    4
  -4.325858e2 -56.30982000  -8.02962000  -0.68589000
* p-type functions
   15    9
       7323.16730000
       1790.41870000
        661.74735000
        271.20663000
        115.83947000
         50.51111500
         22.28668000
          9.90624000
          4.42495600
          1.98337500
          0.89122700
          0.40122500
          0.18089000
          0.08164600
          0.03688500
   0.00047561  -0.00019690   0.00004141  -0.00003530   0.00005512  -0.00008230   0.00010704  -0.00017110   0.00062027
   0.00350535  -0.00145380   0.00030506  -0.00026020   0.00038004  -0.00051700   0.00088352  -0.00214780   0.00175953
   0.01483336  -0.00621880   0.00131171  -0.00111690   0.00176842  -0.00268580   0.00333244  -0.00476200   0.02293946
   0.05650420  -0.02410140   0.00508090  -0.00433490   0.00631422  -0.00856710   0.01486946  -0.03695090   0.03205212
   0.16920752  -0.07513890   0.01600063  -0.01363230   0.02151037  -0.03263180   0.04163625  -0.06456430   0.29379335
   0.36091932  -0.16963340   0.03635452  -0.03104660   0.04487526  -0.06062500   0.11035992  -0.28758830   0.19939782
   0.40886256  -0.19676080   0.04258706  -0.03635610   0.06198377  -0.10163520   0.09155739   0.02681609   0.61869524
   0.15600183   0.10585183  -0.03264350   0.02789112  -0.05942460   0.13085313  -0.10756010  -0.02689290  -3.46702700
   0.01881103   0.49687654  -0.13437770   0.11825328  -0.14621340   0.15145529  -0.59243680   2.38627100   5.20636660
   0.01114795   0.43564024  -0.14274630   0.12608235  -0.32803580   0.74920079  -0.19361580  -5.05558600  -4.79961400
   0.00118334   0.10502834   0.02398513   0.00601399   0.31169970  -1.80945400   2.98276340   5.63071250   3.50275580
   0.00068037   0.00292970   0.32948097  -0.58988590   1.11229650   0.29029826  -5.12215700  -4.69364900  -2.28363300
  -0.00033610   0.00124841   0.46992299  -0.23094900  -0.75334160   2.32484030   5.22336600   3.26566870   1.35945830
   0.00016669  -0.00029710   0.24735085   0.21176561  -1.22513200  -3.04974600  -3.57577400  -1.78823600  -0.67604270
  -0.00005060   0.00010210   0.09755815   0.84012370   1.30067830   1.48979660   1.30833170   0.57746485   0.20747854
    3
 -50.15375000  -5.88068000  -0.36946000
* d-type functions
    9    5
        278.75717000
         85.08078100
         33.35470800
         13.92075800
          5.95717900
          2.58139500
          1.12661200
          0.49389700
          0.21716600
   0.00227463  -0.00065270   0.00080643  -0.00015230   0.00450086
   0.01718587  -0.00524310   0.00621466   0.01168293  -0.02811670
   0.07146928  -0.02060100   0.02535561  -0.00557500   0.13253628
   0.20721457  -0.06436990   0.07654012   0.16569917  -0.25181010
   0.35522274  -0.10117680   0.14152051  -0.04814770   1.90575030
   0.37056225  -0.12855100   0.16177215   1.15666170  -3.04298300
   0.22623647  -0.00627690   0.08719676  -2.76552300   2.24414500
   0.05860114   0.31876083  -1.59151800   2.43663940  -1.12608700
   0.00565757   0.73696154   1.37100810  -0.98868650   0.36478009
    1
  -2.11262000

/Se.ANO-S.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
SELENIUM (17s,15p,9d) -> [9s,9p,6d]
Options
OrbitalEnergies
EndOptions
    34.0   2
* s-type functions
   17    9
     637874.92000000
      91490.64100000
      26605.14600000
       9231.91070000
       3438.05100000
       1326.41810000
        522.17790000
        208.17940000
         83.69724400
         33.84873700
         13.74782700
          5.60171300
          2.28813100
          0.93644900
          0.38385100
          0.15753900
          0.06472400
   0.00018882  -0.00008010   0.00003419  -0.00000720   0.00000723  -0.00001030   0.00001286  -0.00002880   0.00007549
   0.00132965  -0.00056390   0.00024053  -0.00005030   0.00005026  -0.00007000   0.00008953  -0.00023660   0.00036104
   0.00452045  -0.00192460   0.00082448  -0.00017340   0.00017630  -0.00025740   0.00031327  -0.00058680   0.00236907
   0.01552050  -0.00664070   0.00284071  -0.00059290   0.00058835  -0.00080080   0.00105005  -0.00315150   0.00252029
   0.04772364  -0.02083430   0.00902806  -0.00190780   0.00194811  -0.00287730   0.00346174  -0.00585350   0.02976037
   0.13279545  -0.06047790   0.02655236  -0.00558370   0.00552852  -0.00747150   0.00990002  -0.03111520   0.01911273
   0.29716981  -0.15175580   0.07006436  -0.01511950   0.01550198  -0.02312920   0.02769523  -0.04408790   0.26595174
   0.39748417  -0.26582210   0.13353925  -0.02921770   0.02870609  -0.03772390   0.05227135  -0.19443280   0.03549544
   0.17555713  -0.15122200   0.08784713  -0.02111440   0.02352690  -0.04261010   0.04111412   0.09958489   0.78784739
   0.05997324   0.46913668  -0.38703240   0.10201723  -0.11089500   0.18925596  -0.21860340   0.12329592  -4.44409900
   0.07183478   0.52959690  -0.67166290   0.19527902  -0.18602980   0.20625013  -0.35964430   2.16286800   7.25776190
   0.00495131   0.09603793   0.37050889  -0.14028750   0.11880554  -0.04230520   0.42920309  -6.15981200  -6.89112900
   0.01004534   0.13054938   0.81432645  -0.50221260   0.68778065  -1.78555900   2.06232900   7.95611240   4.96728230
  -0.00138350   0.00744523   0.13041495  -0.13775400  -0.02978080   2.65850600  -5.60819700  -6.80613700  -3.11226200
   0.00139077   0.00654469   0.00138303   0.68723577  -1.89396800  -0.24952930   7.05198820   4.57363130   1.76104860
  -0.00066900  -0.00323040  -0.00099800   0.51121109   1.05781480  -2.42870000  -5.54355400  -2.40966400  -0.83251520
   0.00019467   0.00097237   0.00058130   0.06532659   0.63813946   1.87859220   2.25238350   0.75170886   0.24030778
    4
 -46.086751e1 -60.66916000  -8.93244000  -0.83750000
* p-type functions
   15    9
       7790.48740000
       1893.88980000
        699.84320000
        287.15130000
        122.85884000
         53.67781700
         23.73445000
         10.57330900
          4.73377500
          2.12676600
          0.95793100
          0.43229000
          0.19536700
          0.08839500
          0.04003200
   0.00047837  -0.00020230   0.00004609  -0.00004120   0.00006195  -0.00008730   0.00010351  -0.00018080   0.00061290
   0.00355210  -0.00150660   0.00034254  -0.00030350   0.00042320  -0.00058890   0.00098811  -0.00207550   0.00185493
   0.01499333  -0.00642300   0.00146731  -0.00131590   0.00200581  -0.00283850   0.00313297  -0.00523740   0.02263498
   0.05698847  -0.02486880   0.00568317  -0.00503510   0.00700022  -0.00975720   0.01666504  -0.03563040   0.03383248
   0.17009632  -0.07723010   0.01782843  -0.01599440   0.02432341  -0.03457860   0.03965308  -0.07014780   0.29358729
   0.36157488  -0.17406470   0.04050566  -0.03586670   0.04945329  -0.06949700   0.12482230  -0.27407690   0.19916494
   0.40674565  -0.19933150   0.04675968  -0.04256820   0.07028038  -0.10011710   0.06257507  -0.00054060   0.59700248
   0.15444419   0.11130409  -0.03778060   0.03623511  -0.07609640   0.13139694  -0.05507780   0.08521535  -3.45978000
   0.02039281   0.50774628  -0.15221810   0.13523393  -0.15716430   0.22966618  -0.80670840   2.17178230   5.29270120
   0.01217451   0.43120270  -0.15880550   0.16037590  -0.40208520   0.67189120   0.39000700  -4.94497100  -4.98581700
   0.00122290   0.09181134   0.06112624  -0.05815030   0.59657475  -2.16047900   2.16978000   5.80766560   3.72972920
   0.00065403   0.00322654   0.38248280  -0.70348070   0.99292677   1.29158930  -4.58448400  -5.09182700  -2.49452500
  -0.00032880   0.00052451   0.44832622  -0.13318850  -1.31152900   1.27809420   5.22871880   3.71301540   1.52105820
   0.00016448   0.00013820   0.22023622   0.49150229  -0.50782560  -2.61876800  -3.91528700  -2.12312800  -0.77188880
  -0.00004970  -0.00000440   0.06966540   0.58755181   1.08784630   1.52011510   1.54475380   0.71166253   0.24054735
    3
 -54.26928000  -6.66187000  -0.40299000
* d-type functions
    9    5
        312.31838000
         95.34388000
         37.61541100
         15.82279600
          6.82870600
          2.98512500
          1.31452500
          0.58151900
          0.25803900
   0.00214681  -0.00062070   0.00075575  -0.00026030   0.00424329
   0.01637689  -0.00505360   0.00597593   0.01149165  -0.03162330
   0.06847314  -0.01988490   0.02404817  -0.00921880   0.12566140
   0.20154100  -0.06328190   0.07559616   0.16744915  -0.26492310
   0.35423312  -0.10243280   0.14235402  -0.05213480   1.96699170
   0.37643562  -0.13160980   0.17475581   1.18593020  -3.13756000
   0.22515194  -0.00578400   0.06791035  -2.83201700   2.34109620
   0.05416647   0.32719966  -1.59120200   2.51860690  -1.18559300
   0.00521300   0.72936780   1.38453050  -1.02830200   0.38432729
    1
  -2.64972000

/Br.ANO-S.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
BROMINE (17s,15p,9d) -> [9s,9p,6d]
Options
OrbitalEnergies
EndOptions
    35.0   2
* s-type functions
   17    9
     726398.09000000
     104397.37000000
      30433.46200000
      10587.65900000
       3953.33110000
       1529.26870000
        603.64283000
        241.30208000
         97.27440400
         39.44533600
         16.06402000
          6.56309900
          2.68805100
          1.10308800
          0.45337500
          0.18657500
          0.07686000
   0.00017178  -0.00007450   0.00003235  -0.00000700   0.00000715  -0.00000990   0.00001250  -0.00002800   0.00007465
   0.00120695  -0.00052310   0.00022699  -0.00004860   0.00004950  -0.00006620   0.00008626  -0.00023510   0.00033662
   0.00408286  -0.00177980   0.00077451  -0.00016700   0.00017333  -0.00024640   0.00030383  -0.00054800   0.00239109
   0.01402132  -0.00612120   0.00266440  -0.00057030   0.00057515  -0.00074600   0.00100033  -0.00316360   0.00202747
   0.04306166  -0.01921280   0.00845045  -0.00183050   0.00190960  -0.00275440   0.00335409  -0.00532200   0.03021038
   0.12106007  -0.05589940   0.02495022  -0.00538030   0.00541264  -0.00695550   0.00943369  -0.03138100   0.01389412
   0.27702660  -0.14246880   0.06655876  -0.01471860   0.01541925  -0.02249160   0.02726831  -0.04043920   0.27310803
   0.39766198  -0.25984910   0.13230398  -0.02970700   0.02965814  -0.03693150   0.05238938  -0.20596700   0.02437234
   0.20124051  -0.18761120   0.10968715  -0.02679830   0.03011788  -0.05252050   0.05422871   0.08970384   0.94485222
   0.06111923   0.40046534  -0.32967910   0.08931551  -0.10049450   0.17473534  -0.20212100   0.02604439  -4.69605100
   0.08253896   0.56436765  -0.71752270   0.21571073  -0.21008570   0.21859267  -0.39159080   2.49076670   7.35842690
   0.00897909   0.11656019   0.24962720  -0.09831410   0.07186230   0.06952823   0.30445916  -6.48360200  -6.82833700
   0.01154817   0.14288156   0.86077452  -0.54010080   0.75535126  -1.97493000   2.36188000   8.05189360   4.86184860
  -0.00070710   0.01737558   0.16991921  -0.18131650   0.04288634   2.77487710  -5.87154800  -6.74814700  -3.02691700
   0.00132443   0.00488550  -0.00090380   0.70032290  -2.07163600  -0.30666060   7.18682560   4.49060560   1.70678410
  -0.00063910  -0.00242740   0.00040351   0.52055942   1.22003000  -2.41698200  -5.61337200  -2.35919500  -0.80495590
   0.00018715   0.00075578   0.00025571   0.06829549   0.55775136   1.89791160   2.28963280   0.73688996   0.23186565
    4
 -49.005997e1 -65.20008000  -9.87188000  -0.99263000
* p-type functions
   15    9
       8403.95310000
       2045.48760000
        758.03053000
        312.04749000
        133.97148000
         58.73984900
         26.06572400
         11.65378600
          5.23646000
          2.36118500
          1.06740400
          0.48345700
          0.21929300
          0.09958500
          0.04526500
   0.00046552  -0.00020190   0.00004878  -0.00004710   0.00006567  -0.00009480   0.00009808  -0.00018470   0.00061209
   0.00344657  -0.00149880   0.00036154  -0.00034260   0.00043866  -0.00066630   0.00105671  -0.00201330   0.00185793
   0.01448760  -0.00636270   0.00154208  -0.00149630   0.00212041  -0.00303870   0.00283882  -0.00538830   0.02244420
   0.05497741  -0.02458370   0.00596297  -0.00564790   0.00720896  -0.01100890   0.01782377  -0.03440110   0.03364321
   0.16467531  -0.07658070   0.01877038  -0.01822000   0.02576808  -0.03728890   0.03681488  -0.07268880   0.29569803
   0.35401911  -0.17444770   0.04315088  -0.04082420   0.05168330  -0.08038680   0.13648227  -0.26652940   0.19718748
   0.40889330  -0.20650830   0.05155680  -0.05122090   0.07849861  -0.10685040   0.04128120  -0.02792510   0.61841056
   0.16390226   0.09642479  -0.03674970   0.04076137  -0.08338370   0.12944724   0.00040876   0.15055815  -3.51332100
   0.02387166   0.50763697  -0.16516110   0.15468719  -0.16172960   0.31791600  -1.00114700   2.05303710   5.40054500
   0.01450093   0.44024688  -0.17575960   0.20456982  -0.46035100   0.62110311   0.91873232  -4.87601500  -5.15112300
   0.00145392   0.09105334   0.08337046  -0.14132850   0.79636922  -2.50465000   1.34384700   5.94312410   3.91970690
   0.00077524   0.00385376   0.40615221  -0.77536800   0.83943767   2.21678300  -3.91351600  -5.44104900  -2.67704000
  -0.00039010   0.00039586   0.43618749   0.00839657  -1.57732900   0.19657112   5.07205420   4.16312210   1.67248700
   0.00019884   0.00040310   0.20984350   0.57202129  -0.05751720  -1.96627900  -4.16638700  -2.50061600  -0.86989270
  -0.00005940  -0.00004740   0.05198536   0.45567604   0.93186903   1.36863340   1.76720180   0.87586212   0.27671479
    3
 -58.55431000  -7.47821000  -0.45703000
* d-type functions
    9    5
        346.90938000
        105.80051000
         41.95139100
         17.76240300
          7.72068400
          3.40023700
          1.50875700
          0.67261300
          0.30079300
   0.00204694  -0.00059850   0.00070312  -0.00032820   0.00392103
   0.01576190  -0.00493190   0.00586860   0.01114682  -0.03475920
   0.06621436  -0.01944090   0.02262035  -0.01181310   0.11538079
   0.19722095  -0.06271170   0.07575085   0.16516036  -0.28359940
   0.35363595  -0.10409000   0.14022494  -0.04930160   2.03388580
   0.38126361  -0.13464640   0.19577494   1.20168080  -3.23303900
   0.22345427  -0.00516880   0.03124856  -2.88519100   2.43846760
   0.05042297   0.33992578  -1.57287400   2.59718460  -1.24818000
   0.00490447   0.71786505   1.39196460  -1.07019900   0.40626142
    1
  -3.22020000

/Kr.ANO-S.Pierloot.17s15p9d.9s9p5d.
K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos. Theor. Chim. Acta 90 (1995) 87-114. doi:10.1007/bf01113842
KRYPTON (17s,15p,9d) -> [9s,10p,6d]
Options
OrbitalEnergies
EndOptions
    36.0   2
* s-type functions
   17    9
     828278.58000000
     119486.50000000
      34893.66800000
      12154.74200000
       4543.32120000
       1759.20070000
        695.03767000
        278.08060000
        112.19649000
         45.53446700
         18.55912500
          7.58869300
          3.11062300
          1.27752400
          0.52549000
          0.21642400
          0.08922700
   0.00016368  -0.00002070   0.00005157  -0.00000660   0.00000746  -0.00001110   0.00001165  -0.00002630   0.00007297
   0.00114565  -0.00014460   0.00036009  -0.00004630   0.00005127  -0.00007370   0.00008325  -0.00022650   0.00031173
   0.00386708  -0.00049220   0.00122720  -0.00015850   0.00018043  -0.00027800   0.00027160  -0.00049180   0.00237349
   0.01330395  -0.00169560   0.00421476  -0.00054160   0.00059255  -0.00082350   0.00099645  -0.00309600   0.00162225
   0.04094842  -0.00538600   0.01338546  -0.00173720   0.00199156  -0.00311720   0.00294375  -0.00464350   0.03017029
   0.11662683  -0.01607770   0.03959590  -0.00513880   0.00560256  -0.00771050   0.00956298  -0.03094290   0.00994192
   0.27448613  -0.04383910   0.10654618  -0.01420100   0.01635990  -0.02590010   0.02413900  -0.03570180   0.27545891
   0.42659945  -0.09271410   0.21598919  -0.02981230   0.03220218  -0.04308490   0.05823191  -0.21236900   0.02107461
   0.25395001  -0.09369480   0.20168215  -0.03146830   0.03901534  -0.07197350   0.04592242   0.08246608   1.07228860
   0.01510395   0.21882300  -0.38017640   0.07635148  -0.09748520   0.19193614  -0.14048940  -0.06989720  -4.87905700
   0.00444893   0.64290167  -0.70612180   0.22966244  -0.24054550   0.27436635  -0.55954920   2.73098180   7.38589360
  -0.00306490  -0.15649450  -0.11645680  -0.05566850   0.01389379   0.19033797   0.70802380  -6.67454800  -6.72169600
   0.00193013  -0.90663160  -0.00907940  -0.56960650   0.91203266  -2.71169100   1.47401050   8.16516450   4.73856320
  -0.00121250  -0.21032540   0.00518870  -0.22058170   0.03623454   4.31340840  -4.69598900  -6.95423800  -2.93682300
   0.00069205   0.00256219  -0.00338750   0.70436869  -2.38895500  -2.32230400   6.51227120   4.83916730   1.65268770
  -0.00032580  -0.00172570   0.00173567   0.53679099   1.72139850  -0.81832670  -5.79618700  -2.72995400  -0.77874400
   0.00009346   0.00003381  -0.00050070   0.06727018   0.25249436   1.31560010   2.66140350   0.92793488   0.22425306
    4
 -52.016529e1 -69.90320000 -10.84949000  -1.15288000
* p-type functions
   15    9
       9103.61670000
       2215.50320000
        823.06485000
        339.87683000
        146.41291000
         64.42024400
         28.68890800
         12.87318700
          5.80557300
          2.62745300
          1.19217000
          0.54197100
          0.24675000
          0.11247100
          0.05131300
   0.00018517  -0.00045480   0.00005042  -0.00006540   0.00009576  -0.00010560   0.00018982  -0.00020320   0.00057019
   0.00137364  -0.00336420   0.00037339  -0.00046150   0.00063562  -0.00111790   0.00198719  -0.00047550   0.00203602
   0.00581482  -0.01409310   0.00158673  -0.00207830   0.00308746  -0.00305090   0.00556866  -0.00758830   0.02059070
   0.02245674  -0.05343160   0.00612764  -0.00756350   0.01040898  -0.01876650   0.03381273  -0.00788920   0.03650276
   0.07043453  -0.16086550   0.01937199  -0.02537000   0.03782157  -0.03968770   0.07570473  -0.09755680   0.28014415
   0.16304142  -0.35063720   0.04512596  -0.05552080   0.07671838  -0.14526060   0.26529044  -0.04698110   0.22043009
   0.20081644  -0.41762000   0.05607006  -0.07692840   0.11946800  -0.05677080   0.05481192  -0.29204670   0.51055334
  -0.08404760  -0.17227870  -0.03391930   0.06029607  -0.13458700  -0.00371350  -0.19982280   1.15937520  -3.29338800
  -0.50574390  -0.01180840  -0.17580650   0.20445935  -0.26374260   1.06381310  -1.99024500  -1.32291400   5.27842240
  -0.45188330  -0.00276940  -0.19191340   0.34813970  -0.73870320  -0.84580730   4.77780940   0.52394527  -5.32746100
  -0.09264840   0.00116378   0.09908986  -0.38817700   2.24904930  -1.64692800  -5.73446800   0.73071310   4.44339600
  -0.00405610  -0.00077490   0.42383784  -1.05613800  -1.17106500   3.98479330   4.92216390  -2.19718100  -3.55705800
   0.00019516   0.00045540   0.43377597   0.61384022  -1.08247200  -4.09722300  -3.10712800   3.67853310   2.87647610
  -0.00038040  -0.00022050   0.20497249   0.57201893   1.19881530   2.04082930   1.06631660  -4.21061800  -2.11313300
   0.00012387   0.00006633   0.02203791   0.07340049   0.02404730  -0.12304470   0.06125542   2.46418370   0.96416896
    3
 -63.00992000  -8.33152000  -0.52412000
* d-type functions
    9    5
        381.23678000
        116.40438000
         46.38696800
         19.75766800
          8.64252400
          3.83114100
          1.71127600
          0.76802800
          0.34578900
   0.00197587  -0.00058670   0.00064405  -0.00038060   0.00317842
   0.01527563  -0.00485870   0.00590293   0.01054552  -0.04426040
   0.06439629  -0.01919600   0.02079822  -0.01403090   0.08823185
   0.19365384  -0.06249700   0.07747959   0.15811294  -0.36358660
   0.35312903  -0.10628300   0.13452117  -0.04027640   2.19486960
   0.38531613  -0.13793830   0.23191253   1.20540520  -3.38515500
   0.22161224  -0.00435640  -0.03599680  -2.92720400   2.56662730
   0.04752303   0.35553905  -1.52518400   2.68014560  -1.33004700
   0.00473164   0.70354187   1.38798800  -1.12070000   0.43631405
    1
  -3.82526000
