! FDMNES subroutines
! The f0 calculation part comes from B. Ravel

subroutine clempar1(Z,norb,nprin,nazim,nconf,nterm,nexp,esp,con)

  use declarations
  implicit none
  
  integer, parameter:: norbm = 11
  integer, parameter:: ntrm = 11

  integer:: Z, norb

  integer, dimension(norbm):: nazim, nconf, nprin, nterm
  integer, dimension(norbm,ntrm):: nexp

  real(kind=db), dimension(norbm,ntrm):: esp, con

  select case(Z)

    case( 1)
      norb =  1
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 1; nterm( 1) = 1
      nexp( 1, 1) = 1; esp( 1, 1) = 1.00000; con( 1, 1) = 1.00000
    case( 2)
      norb =  1
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 5
      nexp( 1, 1) = 1; esp( 1, 1) = 1.41714; con( 1, 1) =  .76838
      nexp( 1, 2) = 1; esp( 1, 2) = 2.37682; con( 1, 2) =  .22346
      nexp( 1, 3) = 1; esp( 1, 3) = 4.39628; con( 1, 3) =  .04082
      nexp( 1, 4) = 1; esp( 1, 4) = 6.52699; con( 1, 4) = -.00994
      nexp( 1, 5) = 1; esp( 1, 5) = 7.94252; con( 1, 5) =  .00230
    case( 3)
      norb =  2
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 6
      nexp( 1, 1) = 1; esp( 1, 1) = 2.47673; con( 1, 1) =  .89786
      nexp( 1, 2) = 1; esp( 1, 2) = 4.69873; con( 1, 2) =  .11131
      nexp( 1, 3) = 2; esp( 1, 3) =  .38350; con( 1, 3) = -.00008
      nexp( 1, 4) = 2; esp( 1, 4) =  .66055; con( 1, 4) =  .00112
      nexp( 1, 5) = 2; esp( 1, 5) = 1.07000; con( 1, 5) = -.00216
      nexp( 1, 6) = 2; esp( 1, 6) = 1.63200; con( 1, 6) =  .00884
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 1; nterm( 2) = 6
      nexp( 2, 1) = 1; esp( 2, 1) = 2.47673; con( 2, 1) = -.14629
      nexp( 2, 2) = 1; esp( 2, 2) = 4.69873; con( 2, 2) = -.01516
      nexp( 2, 3) = 2; esp( 2, 3) =  .38350; con( 2, 3) =  .00377
      nexp( 2, 4) = 2; esp( 2, 4) =  .66055; con( 2, 4) =  .98053
      nexp( 2, 5) = 2; esp( 2, 5) = 1.07000; con( 2, 5) =  .10971
      nexp( 2, 6) = 2; esp( 2, 6) = 1.63200; con( 2, 6) = -.11021
    case( 4)
      norb =  2
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 6
      nexp( 1, 1) = 1; esp( 1, 1) = 3.47116; con( 1, 1) =  .91796
      nexp( 1, 2) = 1; esp( 1, 2) = 6.36861; con( 1, 2) =  .08724
      nexp( 1, 3) = 2; esp( 1, 3) =  .77820; con( 1, 3) =  .00108
      nexp( 1, 4) = 2; esp( 1, 4) =  .94067; con( 1, 4) = -.00199
      nexp( 1, 5) = 2; esp( 1, 5) = 1.48725; con( 1, 5) =  .00176
      nexp( 1, 6) = 2; esp( 1, 6) = 2.71830; con( 1, 6) =  .00628
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 6
      nexp( 2, 1) = 1; esp( 2, 1) = 3.47116; con( 2, 1) = -.17092
      nexp( 2, 2) = 1; esp( 2, 2) = 6.36861; con( 2, 2) = -.01455
      nexp( 2, 3) = 2; esp( 2, 3) =  .77820; con( 2, 3) =  .21186
      nexp( 2, 4) = 2; esp( 2, 4) =  .94067; con( 2, 4) =  .62499
      nexp( 2, 5) = 2; esp( 2, 5) = 1.48725; con( 2, 5) =  .26662
      nexp( 2, 6) = 2; esp( 2, 6) = 2.71830; con( 2, 6) = -.09919
    case( 5)
      norb =  3
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 6
      nexp( 1, 1) = 1; esp( 1, 1) = 4.44561; con( 1, 1) =  .92705
      nexp( 1, 2) = 1; esp( 1, 2) = 7.91796; con( 1, 2) =  .07780
      nexp( 1, 3) = 2; esp( 1, 3) =  .86709; con( 1, 3) =  .00088
      nexp( 1, 4) = 2; esp( 1, 4) = 1.21924; con( 1, 4) = -.00200
      nexp( 1, 5) = 2; esp( 1, 5) = 2.07264; con( 1, 5) =  .00433
      nexp( 1, 6) = 2; esp( 1, 6) = 3.44332; con( 1, 6) =  .00270
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 6
      nexp( 2, 1) = 1; esp( 2, 1) = 4.44561; con( 2, 1) = -.19484
      nexp( 2, 2) = 1; esp( 2, 2) = 7.91796; con( 2, 2) = -.01254
      nexp( 2, 3) = 2; esp( 2, 3) =  .86709; con( 2, 3) =  .06941
      nexp( 2, 4) = 2; esp( 2, 4) = 1.21924; con( 2, 4) =  .75234
      nexp( 2, 5) = 2; esp( 2, 5) = 2.07264; con( 2, 5) =  .31856
      nexp( 2, 6) = 2; esp( 2, 6) = 3.44332; con( 2, 6) = -.12642
      nprin( 3) = 2; nazim( 3) = 1; nconf( 3) = 1; nterm( 3) = 4
      nexp( 3, 1) = 2; esp( 3, 1) =  .87481; con( 3, 1) =  .53622
      nexp( 3, 2) = 2; esp( 3, 2) = 1.36992; con( 3, 2) =  .40340
      nexp( 3, 3) = 2; esp( 3, 3) = 2.32262; con( 3, 3) =  .11653
      nexp( 3, 4) = 2; esp( 3, 4) = 5.59481; con( 3, 4) =  .00821
    case( 6)
      norb =  3
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 6
      nexp( 1, 1) = 1; esp( 1, 1) = 5.43599; con( 1, 1) =  .93262
      nexp( 1, 2) = 1; esp( 1, 2) = 9.48256; con( 1, 2) =  .06931
      nexp( 1, 3) = 2; esp( 1, 3) = 1.05749; con( 1, 3) =  .00083
      nexp( 1, 4) = 2; esp( 1, 4) = 1.52427; con( 1, 4) = -.00176
      nexp( 1, 5) = 2; esp( 1, 5) = 2.68435; con( 1, 5) =  .00559
      nexp( 1, 6) = 2; esp( 1, 6) = 4.20096; con( 1, 6) =  .00382
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 6
      nexp( 2, 1) = 1; esp( 2, 1) = 5.43599; con( 2, 1) = -.20814
      nexp( 2, 2) = 1; esp( 2, 2) = 9.48256; con( 2, 2) = -.01071
      nexp( 2, 3) = 2; esp( 2, 3) = 1.05749; con( 2, 3) =  .08099
      nexp( 2, 4) = 2; esp( 2, 4) = 1.52427; con( 2, 4) =  .75045
      nexp( 2, 5) = 2; esp( 2, 5) = 2.68435; con( 2, 5) =  .33549
      nexp( 2, 6) = 2; esp( 2, 6) = 4.20096; con( 2, 6) = -.14765
      nprin( 3) = 2; nazim( 3) = 1; nconf( 3) = 2; nterm( 3) = 4
      nexp( 3, 1) = 2; esp( 3, 1) =  .98073; con( 3, 1) =  .28241
      nexp( 3, 2) = 2; esp( 3, 2) = 1.44361; con( 3, 2) =  .54697
      nexp( 3, 3) = 2; esp( 3, 3) = 2.60051; con( 3, 3) =  .23195
      nexp( 3, 4) = 2; esp( 3, 4) = 6.51003; con( 3, 4) =  .01025
    case( 7)
      norb =  3
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 6
      nexp( 1, 1) = 1; esp( 1, 1) = 6.45739; con( 1, 1) =  .93780
      nexp( 1, 2) = 1; esp( 1, 2) =11.17200; con( 1, 2) =  .05849
      nexp( 1, 3) = 2; esp( 1, 3) = 1.36405; con( 1, 3) =  .00093
      nexp( 1, 4) = 2; esp( 1, 4) = 1.89734; con( 1, 4) = -.00170
      nexp( 1, 5) = 2; esp( 1, 5) = 3.25291; con( 1, 5) =  .00574
      nexp( 1, 6) = 2; esp( 1, 6) = 5.08238; con( 1, 6) =  .00957
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 6
      nexp( 2, 1) = 1; esp( 2, 1) = 6.45739; con( 2, 1) = -.21677
      nexp( 2, 2) = 1; esp( 2, 2) =11.17200; con( 2, 2) = -.00846
      nexp( 2, 3) = 2; esp( 2, 3) = 1.36405; con( 2, 3) =  .17991
      nexp( 2, 4) = 2; esp( 2, 4) = 1.89734; con( 2, 4) =  .67416
      nexp( 2, 5) = 2; esp( 2, 5) = 3.25291; con( 2, 5) =  .31297
      nexp( 2, 6) = 2; esp( 2, 6) = 5.08238; con( 2, 6) = -.14497
      nprin( 3) = 2; nazim( 3) = 1; nconf( 3) = 3; nterm( 3) = 4
      nexp( 3, 1) = 2; esp( 3, 1) = 1.16068; con( 3, 1) =  .26639
      nexp( 3, 2) = 2; esp( 3, 2) = 1.70472; con( 3, 2) =  .52319
      nexp( 3, 3) = 2; esp( 3, 3) = 3.03935; con( 3, 3) =  .27353
      nexp( 3, 4) = 2; esp( 3, 4) = 7.17482; con( 3, 4) =  .01292
    case( 8)
      norb =  3
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 6
      nexp( 1, 1) = 1; esp( 1, 1) = 7.61413; con( 1, 1) =  .94516
      nexp( 1, 2) = 1; esp( 1, 2) =13.75740; con( 1, 2) =  .03391
      nexp( 1, 3) = 2; esp( 1, 3) = 1.69824; con( 1, 3) = -.00034
      nexp( 1, 4) = 2; esp( 1, 4) = 2.48022; con( 1, 4) =  .00241
      nexp( 1, 5) = 2; esp( 1, 5) = 4.31196; con( 1, 5) = -.00486
      nexp( 1, 6) = 2; esp( 1, 6) = 5.86596; con( 1, 6) =  .03681
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 6
      nexp( 2, 1) = 1; esp( 2, 1) = 7.61413; con( 2, 1) = -.22157
      nexp( 2, 2) = 1; esp( 2, 2) =13.75740; con( 2, 2) = -.00476
      nexp( 2, 3) = 2; esp( 2, 3) = 1.69824; con( 2, 3) =  .34844
      nexp( 2, 4) = 2; esp( 2, 4) = 2.48022; con( 2, 4) =  .60807
      nexp( 2, 5) = 2; esp( 2, 5) = 4.31196; con( 2, 5) =  .25365
      nexp( 2, 6) = 2; esp( 2, 6) = 5.86596; con( 2, 6) = -.19183
      nprin( 3) = 2; nazim( 3) = 1; nconf( 3) = 4; nterm( 3) = 4
      nexp( 3, 1) = 2; esp( 3, 1) = 1.14394; con( 3, 1) =  .16922
      nexp( 3, 2) = 2; esp( 3, 2) = 1.81730; con( 3, 2) =  .57974
      nexp( 3, 3) = 2; esp( 3, 3) = 3.44988; con( 3, 3) =  .32352
      nexp( 3, 4) = 2; esp( 3, 4) = 7.56484; con( 3, 4) =  .01660
    case( 9)
      norb =  3
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 6
      nexp( 1, 1) = 1; esp( 1, 1) = 8.55760; con( 1, 1) =  .94710
      nexp( 1, 2) = 1; esp( 1, 2) =14.97660; con( 1, 2) =  .03718
      nexp( 1, 3) = 2; esp( 1, 3) = 1.82142; con( 1, 3) =  .00013
      nexp( 1, 4) = 2; esp( 1, 4) = 2.67295; con( 1, 4) =  .00093
      nexp( 1, 5) = 2; esp( 1, 5) = 4.90066; con( 1, 5) =  .00068
      nexp( 1, 6) = 2; esp( 1, 6) = 6.57362; con( 1, 6) =  .02602
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 6
      nexp( 2, 1) = 1; esp( 2, 1) = 8.55760; con( 2, 1) = -.22694
      nexp( 2, 2) = 1; esp( 2, 2) =14.97660; con( 2, 2) = -.00530
      nexp( 2, 3) = 2; esp( 2, 3) = 1.82142; con( 2, 3) =  .23918
      nexp( 2, 4) = 2; esp( 2, 4) = 2.67295; con( 2, 4) =  .68592
      nexp( 2, 5) = 2; esp( 2, 5) = 4.90066; con( 2, 5) =  .31489
      nexp( 2, 6) = 2; esp( 2, 6) = 6.57362; con( 2, 6) = -.21822
      nprin( 3) = 2; nazim( 3) = 1; nconf( 3) = 5; nterm( 3) = 4
      nexp( 3, 1) = 2; esp( 3, 1) = 1.26570; con( 3, 1) =  .17830
      nexp( 3, 2) = 2; esp( 3, 2) = 2.05803; con( 3, 2) =  .56185
      nexp( 3, 3) = 2; esp( 3, 3) = 3.92853; con( 3, 3) =  .33658
      nexp( 3, 4) = 2; esp( 3, 4) = 8.20412; con( 3, 4) =  .01903
    case(10)
      norb =  3
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 6
      nexp( 1, 1) = 1; esp( 1, 1) = 9.48486; con( 1, 1) =  .93717
      nexp( 1, 2) = 1; esp( 1, 2) =15.56590; con( 1, 2) =  .04899
      nexp( 1, 3) = 2; esp( 1, 3) = 1.96184; con( 1, 3) =  .00058
      nexp( 1, 4) = 2; esp( 1, 4) = 2.86423; con( 1, 4) = -.00064
      nexp( 1, 5) = 2; esp( 1, 5) = 4.82530; con( 1, 5) =  .00551
      nexp( 1, 6) = 2; esp( 1, 6) = 7.79242; con( 1, 6) =  .01999
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 6
      nexp( 2, 1) = 1; esp( 2, 1) = 9.48486; con( 2, 1) = -.23093
      nexp( 2, 2) = 1; esp( 2, 2) =15.56590; con( 2, 2) = -.00635
      nexp( 2, 3) = 2; esp( 2, 3) = 1.96184; con( 2, 3) =  .18620
      nexp( 2, 4) = 2; esp( 2, 4) = 2.86423; con( 2, 4) =  .66899
      nexp( 2, 5) = 2; esp( 2, 5) = 4.82530; con( 2, 5) =  .30910
      nexp( 2, 6) = 2; esp( 2, 6) = 7.79242; con( 2, 6) = -.13871
      nprin( 3) = 2; nazim( 3) = 1; nconf( 3) = 6; nterm( 3) = 4
      nexp( 3, 1) = 2; esp( 3, 1) = 1.45208; con( 3, 1) =  .21799
      nexp( 3, 2) = 2; esp( 3, 2) = 2.38168; con( 3, 2) =  .53338
      nexp( 3, 3) = 2; esp( 3, 3) = 4.48489; con( 3, 3) =  .32933
      nexp( 3, 4) = 2; esp( 3, 4) = 9.13464; con( 3, 4) =  .01872
    case(11)
      norb =  4
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 8
      nexp( 1, 1) = 1; esp( 1, 1) =11.01230; con( 1, 1) =  .96179
      nexp( 1, 2) = 3; esp( 1, 2) =12.66010; con( 1, 2) =  .04052
      nexp( 1, 3) = 3; esp( 1, 3) = 8.36156; con( 1, 3) =  .01919
      nexp( 1, 4) = 3; esp( 1, 4) = 5.73805; con( 1, 4) = -.00298
      nexp( 1, 5) = 3; esp( 1, 5) = 3.61287; con( 1, 5) =  .00191
      nexp( 1, 6) = 3; esp( 1, 6) = 2.25096; con( 1, 6) = -.00049
      nexp( 1, 7) = 3; esp( 1, 7) = 1.11597; con( 1, 7) =  .00016
      nexp( 1, 8) = 3; esp( 1, 8) =  .71028; con( 1, 8) = -.00007
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 8
      nexp( 2, 1) = 1; esp( 2, 1) =11.01230; con( 2, 1) = -.23474
      nexp( 2, 2) = 3; esp( 2, 2) =12.66010; con( 2, 2) = -.00606
      nexp( 2, 3) = 3; esp( 2, 3) = 8.36156; con( 2, 3) =  .11154
      nexp( 2, 4) = 3; esp( 2, 4) = 5.73805; con( 2, 4) =  .43179
      nexp( 2, 5) = 3; esp( 2, 5) = 3.61287; con( 2, 5) =  .51701
      nexp( 2, 6) = 3; esp( 2, 6) = 2.25096; con( 2, 6) =  .04747
      nexp( 2, 7) = 3; esp( 2, 7) = 1.11597; con( 2, 7) = -.00324
      nexp( 2, 8) = 3; esp( 2, 8) =  .71028; con( 2, 8) =  .00124
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 1; nterm( 3) = 8
      nexp( 3, 1) = 1; esp( 3, 1) =11.01230; con( 3, 1) =  .03527
      nexp( 3, 2) = 3; esp( 3, 2) =12.66010; con( 3, 2) =  .00121
      nexp( 3, 3) = 3; esp( 3, 3) = 8.36156; con( 3, 3) = -.01889
      nexp( 3, 4) = 3; esp( 3, 4) = 5.73805; con( 3, 4) = -.06808
      nexp( 3, 5) = 3; esp( 3, 5) = 3.61287; con( 3, 5) = -.09232
      nexp( 3, 6) = 3; esp( 3, 6) = 2.25096; con( 3, 6) =  .00076
      nexp( 3, 7) = 3; esp( 3, 7) = 1.11597; con( 3, 7) =  .40764
      nexp( 3, 8) = 3; esp( 3, 8) =  .71028; con( 3, 8) =  .64467
      nprin( 4) = 2; nazim( 4) = 1; nconf( 4) = 6; nterm( 4) = 5
      nexp( 4, 1) = 2; esp( 4, 1) = 5.54977; con( 4, 1) =  .46417
      nexp( 4, 2) = 4; esp( 4, 2) = 8.66846; con( 4, 2) =  .03622
      nexp( 4, 3) = 4; esp( 4, 3) = 5.43460; con( 4, 3) =  .29282
      nexp( 4, 4) = 4; esp( 4, 4) = 3.55503; con( 4, 4) =  .31635
      nexp( 4, 5) = 4; esp( 4, 5) = 2.31671; con( 4, 5) =  .07543
    case(12)
      norb =  4
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 8
      nexp( 1, 1) = 1; esp( 1, 1) =12.01140; con( 1, 1) =  .96430
      nexp( 1, 2) = 3; esp( 1, 2) =13.91620; con( 1, 2) =  .03548
      nexp( 1, 3) = 3; esp( 1, 3) = 9.48612; con( 1, 3) =  .02033
      nexp( 1, 4) = 3; esp( 1, 4) = 6.72188; con( 1, 4) = -.00252
      nexp( 1, 5) = 3; esp( 1, 5) = 4.24466; con( 1, 5) =  .00162
      nexp( 1, 6) = 3; esp( 1, 6) = 2.53466; con( 1, 6) = -.00038
      nexp( 1, 7) = 3; esp( 1, 7) = 1.46920; con( 1, 7) =  .00015
      nexp( 1, 8) = 3; esp( 1, 8) =  .89084; con( 1, 8) = -.00004
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 8
      nexp( 2, 1) = 1; esp( 2, 1) =12.01140; con( 2, 1) = -.24357
      nexp( 2, 2) = 3; esp( 2, 2) =13.91620; con( 2, 2) = -.00485
      nexp( 2, 3) = 3; esp( 2, 3) = 9.48612; con( 2, 3) =  .08002
      nexp( 2, 4) = 3; esp( 2, 4) = 6.72188; con( 2, 4) =  .39902
      nexp( 2, 5) = 3; esp( 2, 5) = 4.24466; con( 2, 5) =  .57358
      nexp( 2, 6) = 3; esp( 2, 6) = 2.53466; con( 2, 6) =  .05156
      nexp( 2, 7) = 3; esp( 2, 7) = 1.46920; con( 2, 7) = -.00703
      nexp( 2, 8) = 3; esp( 2, 8) =  .89084; con( 2, 8) =  .00161
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 8
      nexp( 3, 1) = 1; esp( 3, 1) =12.01140; con( 3, 1) =  .04691
      nexp( 3, 2) = 3; esp( 3, 2) =13.91620; con( 3, 2) =  .00144
      nexp( 3, 3) = 3; esp( 3, 3) = 9.48612; con( 3, 3) = -.01850
      nexp( 3, 4) = 3; esp( 3, 4) = 6.72188; con( 3, 4) = -.07964
      nexp( 3, 5) = 3; esp( 3, 5) = 4.24466; con( 3, 5) = -.13478
      nexp( 3, 6) = 3; esp( 3, 6) = 2.53466; con( 3, 6) = -.01906
      nexp( 3, 7) = 3; esp( 3, 7) = 1.46920; con( 3, 7) =  .48239
      nexp( 3, 8) = 3; esp( 3, 8) =  .89084; con( 3, 8) =  .60221
      nprin( 4) = 2; nazim( 4) = 1; nconf( 4) = 6; nterm( 4) = 5
      nexp( 4, 1) = 2; esp( 4, 1) = 5.92580; con( 4, 1) =  .52391
      nexp( 4, 2) = 4; esp( 4, 2) = 7.98979; con( 4, 2) =  .07012
      nexp( 4, 3) = 4; esp( 4, 3) = 5.32964; con( 4, 3) =  .31965
      nexp( 4, 4) = 4; esp( 4, 4) = 3.71678; con( 4, 4) =  .20860
      nexp( 4, 5) = 4; esp( 4, 5) = 2.59986; con( 4, 5) =  .03888
    case(13)
      norb =  5
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 8
      nexp( 1, 1) = 1; esp( 1, 1) =13.01270; con( 1, 1) =  .96628
      nexp( 1, 2) = 3; esp( 1, 2) =15.15090; con( 1, 2) =  .03266
      nexp( 1, 3) = 3; esp( 1, 3) =10.19020; con( 1, 3) =  .02155
      nexp( 1, 4) = 3; esp( 1, 4) = 7.25565; con( 1, 4) = -.00439
      nexp( 1, 5) = 3; esp( 1, 5) = 4.70291; con( 1, 5) =  .00247
      nexp( 1, 6) = 3; esp( 1, 6) = 2.96182; con( 1, 6) = -.00081
      nexp( 1, 7) = 3; esp( 1, 7) = 1.77250; con( 1, 7) =  .00030
      nexp( 1, 8) = 3; esp( 1, 8) = 1.09108; con( 1, 8) = -.00008
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 8
      nexp( 2, 1) = 1; esp( 2, 1) =13.01270; con( 2, 1) = -.25110
      nexp( 2, 2) = 3; esp( 2, 2) =15.15090; con( 2, 2) = -.00424
      nexp( 2, 3) = 3; esp( 2, 3) =10.19020; con( 2, 3) =  .09248
      nexp( 2, 4) = 3; esp( 2, 4) = 7.25565; con( 2, 4) =  .40331
      nexp( 2, 5) = 3; esp( 2, 5) = 4.70291; con( 2, 5) =  .56148
      nexp( 2, 6) = 3; esp( 2, 6) = 2.96182; con( 2, 6) =  .03902
      nexp( 2, 7) = 3; esp( 2, 7) = 1.77250; con( 2, 7) = -.00231
      nexp( 2, 8) = 3; esp( 2, 8) = 1.09108; con( 2, 8) =  .00037
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 8
      nexp( 3, 1) = 1; esp( 3, 1) =13.01270; con( 3, 1) =  .05795
      nexp( 3, 2) = 3; esp( 3, 2) =15.15090; con( 3, 2) =  .00149
      nexp( 3, 3) = 3; esp( 3, 3) =10.19020; con( 3, 3) = -.02529
      nexp( 3, 4) = 3; esp( 3, 4) = 7.25565; con( 3, 4) = -.09664
      nexp( 3, 5) = 3; esp( 3, 5) = 4.70291; con( 3, 5) = -.16426
      nexp( 3, 6) = 3; esp( 3, 6) = 2.96182; con( 3, 6) = -.03278
      nexp( 3, 7) = 3; esp( 3, 7) = 1.77250; con( 3, 7) =  .57610
      nexp( 3, 8) = 3; esp( 3, 8) = 1.09108; con( 3, 8) =  .52921
      nprin( 4) = 2; nazim( 4) = 1; nconf( 4) = 6; nterm( 4) = 8
      nexp( 4, 1) = 2; esp( 4, 1) = 6.51941; con( 4, 1) =  .53767
      nexp( 4, 2) = 4; esp( 4, 2) =10.48190; con( 4, 2) =  .01909
      nexp( 4, 3) = 4; esp( 4, 3) = 8.08430; con( 4, 3) =  .06545
      nexp( 4, 4) = 4; esp( 4, 4) = 5.85779; con( 4, 4) =  .32423
      nexp( 4, 5) = 4; esp( 4, 5) = 3.99863; con( 4, 5) =  .19557
      nexp( 4, 6) = 4; esp( 4, 6) = 2.01453; con( 4, 6) =  .00829
      nexp( 4, 7) = 4; esp( 4, 7) = 1.25016; con( 4, 7) = -.00235
      nexp( 4, 8) = 4; esp( 4, 8) =  .87219; con( 4, 8) =  .00101
      nprin( 5) = 3; nazim( 5) = 1; nconf( 5) = 1; nterm( 5) = 8
      nexp( 5, 1) = 2; esp( 5, 1) = 6.51941; con( 5, 1) = -.09633
      nexp( 5, 2) = 4; esp( 5, 2) =10.48190; con( 5, 2) = -.00661
      nexp( 5, 3) = 4; esp( 5, 3) = 8.08430; con( 5, 3) = -.00128
      nexp( 5, 4) = 4; esp( 5, 4) = 5.85779; con( 5, 4) = -.06987
      nexp( 5, 5) = 4; esp( 5, 5) = 3.99863; con( 5, 5) =  .01653
      nexp( 5, 6) = 4; esp( 5, 6) = 2.01453; con( 5, 6) =  .35563
      nexp( 5, 7) = 4; esp( 5, 7) = 1.25016; con( 5, 7) =  .45241
      nexp( 5, 8) = 4; esp( 5, 8) =  .87219; con( 5, 8) =  .29407
    case(14)
      norb =  5
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 8
      nexp( 1, 1) = 1; esp( 1, 1) =14.01420; con( 1, 1) =  .96800
      nexp( 1, 2) = 3; esp( 1, 2) =16.39320; con( 1, 2) =  .03033
      nexp( 1, 3) = 3; esp( 1, 3) =10.87950; con( 1, 3) =  .02248
      nexp( 1, 4) = 3; esp( 1, 4) = 7.72709; con( 1, 4) = -.00617
      nexp( 1, 5) = 3; esp( 1, 5) = 5.16500; con( 1, 5) =  .00326
      nexp( 1, 6) = 3; esp( 1, 6) = 2.97451; con( 1, 6) = -.00143
      nexp( 1, 7) = 3; esp( 1, 7) = 2.14316; con( 1, 7) =  .00081
      nexp( 1, 8) = 3; esp( 1, 8) = 1.31306; con( 1, 8) = -.00016
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 8
      nexp( 2, 1) = 1; esp( 2, 1) =14.01420; con( 2, 1) = -.25755
      nexp( 2, 2) = 3; esp( 2, 2) =16.39320; con( 2, 2) = -.00446
      nexp( 2, 3) = 3; esp( 2, 3) =10.87950; con( 2, 3) =  .11153
      nexp( 2, 4) = 3; esp( 2, 4) = 7.72709; con( 2, 4) =  .40339
      nexp( 2, 5) = 3; esp( 2, 5) = 5.16500; con( 2, 5) =  .55032
      nexp( 2, 6) = 3; esp( 2, 6) = 2.97451; con( 2, 6) =  .03381
      nexp( 2, 7) = 3; esp( 2, 7) = 2.14316; con( 2, 7) = -.00815
      nexp( 2, 8) = 3; esp( 2, 8) = 1.31306; con( 2, 8) =  .00126
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 8
      nexp( 3, 1) = 1; esp( 3, 1) =14.01420; con( 3, 1) =  .06595
      nexp( 3, 2) = 3; esp( 3, 2) =16.39320; con( 3, 2) =  .00185
      nexp( 3, 3) = 3; esp( 3, 3) =10.87950; con( 3, 3) = -.03461
      nexp( 3, 4) = 3; esp( 3, 4) = 7.72709; con( 3, 4) = -.10378
      nexp( 3, 5) = 3; esp( 3, 5) = 5.16500; con( 3, 5) = -.19229
      nexp( 3, 6) = 3; esp( 3, 6) = 2.97451; con( 3, 6) = -.06561
      nexp( 3, 7) = 3; esp( 3, 7) = 2.14316; con( 3, 7) =  .59732
      nexp( 3, 8) = 3; esp( 3, 8) = 1.31306; con( 3, 8) =  .55390
      nprin( 4) = 2; nazim( 4) = 1; nconf( 4) = 6; nterm( 4) = 8
      nexp( 4, 1) = 2; esp( 4, 1) = 7.14360; con( 4, 1) =  .54290
      nexp( 4, 2) = 4; esp( 4, 2) =16.25720; con( 4, 2) =  .00234
      nexp( 4, 3) = 4; esp( 4, 3) =10.79720; con( 4, 3) =  .04228
      nexp( 4, 4) = 4; esp( 4, 4) = 6.89724; con( 4, 4) =  .32155
      nexp( 4, 5) = 4; esp( 4, 5) = 4.66598; con( 4, 5) =  .22474
      nexp( 4, 6) = 4; esp( 4, 6) = 2.32046; con( 4, 6) =  .00732
      nexp( 4, 7) = 4; esp( 4, 7) = 1.33470; con( 4, 7) = -.00105
      nexp( 4, 8) = 4; esp( 4, 8) =  .79318; con( 4, 8) =  .00041
      nprin( 5) = 3; nazim( 5) = 1; nconf( 5) = 2; nterm( 5) = 8
      nexp( 5, 1) = 2; esp( 5, 1) = 7.14360; con( 5, 1) = -.11535
      nexp( 5, 2) = 4; esp( 5, 2) =16.25720; con( 5, 2) = -.00189
      nexp( 5, 3) = 4; esp( 5, 3) =10.79720; con( 5, 3) = -.00473
      nexp( 5, 4) = 4; esp( 5, 4) = 6.89724; con( 5, 4) = -.07552
      nexp( 5, 5) = 4; esp( 5, 5) = 4.66598; con( 5, 5) =  .01041
      nexp( 5, 6) = 4; esp( 5, 6) = 2.32046; con( 5, 6) =  .46075
      nexp( 5, 7) = 4; esp( 5, 7) = 1.33470; con( 5, 7) =  .57665
      nexp( 5, 8) = 4; esp( 5, 8) =  .79318; con( 5, 8) =  .06274
    case(15)
      norb =  5
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 8
      nexp( 1, 1) = 1; esp( 1, 1) =15.01120; con( 1, 1) =  .96992
      nexp( 1, 2) = 3; esp( 1, 2) =17.31520; con( 1, 2) =  .02944
      nexp( 1, 3) = 3; esp( 1, 3) =11.77300; con( 1, 3) =  .01933
      nexp( 1, 4) = 3; esp( 1, 4) = 8.66300; con( 1, 4) = -.00403
      nexp( 1, 5) = 3; esp( 1, 5) = 5.90778; con( 1, 5) =  .00196
      nexp( 1, 6) = 3; esp( 1, 6) = 3.69253; con( 1, 6) = -.00051
      nexp( 1, 7) = 3; esp( 1, 7) = 2.47379; con( 1, 7) =  .00016
      nexp( 1, 8) = 3; esp( 1, 8) = 1.51103; con( 1, 8) = -.00004
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 8
      nexp( 2, 1) = 1; esp( 2, 1) =15.01120; con( 2, 1) = -.26326
      nexp( 2, 2) = 3; esp( 2, 2) =17.31520; con( 2, 2) = -.00434
      nexp( 2, 3) = 3; esp( 2, 3) =11.77300; con( 2, 3) =  .10333
      nexp( 2, 4) = 3; esp( 2, 4) = 8.66300; con( 2, 4) =  .34612
      nexp( 2, 5) = 3; esp( 2, 5) = 5.90778; con( 2, 5) =  .58778
      nexp( 2, 6) = 3; esp( 2, 6) = 3.69253; con( 2, 6) =  .06043
      nexp( 2, 7) = 3; esp( 2, 7) = 2.47379; con( 2, 7) = -.00901
      nexp( 2, 8) = 3; esp( 2, 8) = 1.51103; con( 2, 8) =  .00193
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 8
      nexp( 3, 1) = 1; esp( 3, 1) =15.01120; con( 3, 1) =  .07230
      nexp( 3, 2) = 3; esp( 3, 2) =17.31520; con( 3, 2) =  .00186
      nexp( 3, 3) = 3; esp( 3, 3) =11.77300; con( 3, 3) = -.03447
      nexp( 3, 4) = 3; esp( 3, 4) = 8.66300; con( 3, 4) = -.09503
      nexp( 3, 5) = 3; esp( 3, 5) = 5.90778; con( 3, 5) = -.21241
      nexp( 3, 6) = 3; esp( 3, 6) = 3.69253; con( 3, 6) = -.09001
      nexp( 3, 7) = 3; esp( 3, 7) = 2.47379; con( 3, 7) =  .60361
      nexp( 3, 8) = 3; esp( 3, 8) = 1.51103; con( 3, 8) =  .56185
      nprin( 4) = 2; nazim( 4) = 1; nconf( 4) = 6; nterm( 4) = 8
      nexp( 4, 1) = 2; esp( 4, 1) = 7.60940; con( 4, 1) =  .57352
      nexp( 4, 2) = 4; esp( 4, 2) =13.97590; con( 4, 2) =  .00664
      nexp( 4, 3) = 4; esp( 4, 3) =11.89390; con( 4, 3) =  .02478
      nexp( 4, 4) = 4; esp( 4, 4) = 7.55531; con( 4, 4) =  .30460
      nexp( 4, 5) = 4; esp( 4, 5) = 5.17707; con( 4, 5) =  .21442
      nexp( 4, 6) = 4; esp( 4, 6) = 2.62934; con( 4, 6) =  .00552
      nexp( 4, 7) = 4; esp( 4, 7) = 1.50494; con( 4, 7) = -.00045
      nexp( 4, 8) = 4; esp( 4, 8) =  .77783; con( 4, 8) =  .00011
      nprin( 5) = 3; nazim( 5) = 1; nconf( 5) = 3; nterm( 5) = 8
      nexp( 5, 1) = 2; esp( 5, 1) = 7.60940; con( 5, 1) = -.13569
      nexp( 5, 2) = 4; esp( 5, 2) =13.97590; con( 5, 2) = -.00813
      nexp( 5, 3) = 4; esp( 5, 3) =11.89390; con( 5, 3) =  .00586
      nexp( 5, 4) = 4; esp( 5, 4) = 7.55531; con( 5, 4) = -.08424
      nexp( 5, 5) = 4; esp( 5, 5) = 5.17707; con( 5, 5) =  .02002
      nexp( 5, 6) = 4; esp( 5, 6) = 2.62934; con( 5, 6) =  .51314
      nexp( 5, 7) = 4; esp( 5, 7) = 1.50494; con( 5, 7) =  .55176
      nexp( 5, 8) = 4; esp( 5, 8) =  .77783; con( 5, 8) =  .02781
    case(16)
      norb =  5
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 8
      nexp( 1, 1) = 1; esp( 1, 1) =16.01400; con( 1, 1) =  .97114
      nexp( 1, 2) = 3; esp( 1, 2) =18.96800; con( 1, 2) =  .02429
      nexp( 1, 3) = 3; esp( 1, 3) =13.07410; con( 1, 3) =  .02358
      nexp( 1, 4) = 3; esp( 1, 4) = 9.75154; con( 1, 4) = -.00533
      nexp( 1, 5) = 3; esp( 1, 5) = 6.46979; con( 1, 5) =  .00249
      nexp( 1, 6) = 3; esp( 1, 6) = 3.77961; con( 1, 6) = -.00109
      nexp( 1, 7) = 3; esp( 1, 7) = 2.86995; con( 1, 7) =  .00060
      nexp( 1, 8) = 3; esp( 1, 8) = 1.71311; con( 1, 8) = -.00010
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 8
      nexp( 2, 1) = 1; esp( 2, 1) =16.01400; con( 2, 1) = -.26821
      nexp( 2, 2) = 3; esp( 2, 2) =18.96800; con( 2, 2) = -.00289
      nexp( 2, 3) = 3; esp( 2, 3) =13.07410; con( 2, 3) =  .06531
      nexp( 2, 4) = 3; esp( 2, 4) = 9.75154; con( 2, 4) =  .34835
      nexp( 2, 5) = 3; esp( 2, 5) = 6.46979; con( 2, 5) =  .62960
      nexp( 2, 6) = 3; esp( 2, 6) = 3.77961; con( 2, 6) =  .05768
      nexp( 2, 7) = 3; esp( 2, 7) = 2.86995; con( 2, 7) = -.01492
      nexp( 2, 8) = 3; esp( 2, 8) = 1.71311; con( 2, 8) =  .00199
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 8
      nexp( 3, 1) = 1; esp( 3, 1) =16.01400; con( 3, 1) =  .07797
      nexp( 3, 2) = 3; esp( 3, 2) =18.96800; con( 3, 2) =  .00157
      nexp( 3, 3) = 3; esp( 3, 3) =13.07410; con( 3, 3) = -.02483
      nexp( 3, 4) = 3; esp( 3, 4) = 9.75154; con( 3, 4) = -.10102
      nexp( 3, 5) = 3; esp( 3, 5) = 6.46979; con( 3, 5) = -.24289
      nexp( 3, 6) = 3; esp( 3, 6) = 3.77961; con( 3, 6) = -.16836
      nexp( 3, 7) = 3; esp( 3, 7) = 2.86995; con( 3, 7) =  .67747
      nexp( 3, 8) = 3; esp( 3, 8) = 1.71311; con( 3, 8) =  .57499
      nprin( 4) = 2; nazim( 4) = 1; nconf( 4) = 6; nterm( 4) = 8
      nexp( 4, 1) = 2; esp( 4, 1) = 8.06921; con( 4, 1) =  .60189
      nexp( 4, 2) = 4; esp( 4, 2) =12.84920; con( 4, 2) =  .03330
      nexp( 4, 3) = 4; esp( 4, 3) =11.58840; con( 4, 3) = -.00380
      nexp( 4, 4) = 4; esp( 4, 4) = 7.95447; con( 4, 4) =  .30971
      nexp( 4, 5) = 4; esp( 4, 5) = 5.50966; con( 4, 5) =  .17511
      nexp( 4, 6) = 4; esp( 4, 6) = 2.87841; con( 4, 6) =  .00376
      nexp( 4, 7) = 4; esp( 4, 7) = 1.60671; con( 4, 7) =  .00097
      nexp( 4, 8) = 4; esp( 4, 8) =  .86354; con( 4, 8) = -.00001
      nprin( 5) = 3; nazim( 5) = 1; nconf( 5) = 4; nterm( 5) = 8
      nexp( 5, 1) = 2; esp( 5, 1) = 8.06921; con( 5, 1) = -.15258
      nexp( 5, 2) = 4; esp( 5, 2) =12.84920; con( 5, 2) = -.02915
      nexp( 5, 3) = 4; esp( 5, 3) =11.58840; con( 5, 3) =  .03506
      nexp( 5, 4) = 4; esp( 5, 4) = 7.95447; con( 5, 4) = -.10730
      nexp( 5, 5) = 4; esp( 5, 5) = 5.50966; con( 5, 5) =  .05645
      nexp( 5, 6) = 4; esp( 5, 6) = 2.87841; con( 5, 6) =  .55255
      nexp( 5, 7) = 4; esp( 5, 7) = 1.60671; con( 5, 7) =  .50726
      nexp( 5, 8) = 4; esp( 5, 8) =  .86354; con( 5, 8) =  .02856
    case(17)
      norb =  5
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 8
      nexp( 1, 1) = 1; esp( 1, 1) =17.00140; con( 1, 1) =  .97335
      nexp( 1, 2) = 3; esp( 1, 2) =19.26490; con( 1, 2) =  .02682
      nexp( 1, 3) = 3; esp( 1, 3) =13.45290; con( 1, 3) =  .01612
      nexp( 1, 4) = 3; esp( 1, 4) =10.04290; con( 1, 4) = -.00266
      nexp( 1, 5) = 3; esp( 1, 5) = 6.93920; con( 1, 5) =  .00129
      nexp( 1, 6) = 3; esp( 1, 6) = 4.43640; con( 1, 6) = -.00029
      nexp( 1, 7) = 3; esp( 1, 7) = 2.90570; con( 1, 7) =  .00005
      nexp( 1, 8) = 3; esp( 1, 8) = 1.81900; con( 1, 8) = -.00002
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 8
      nexp( 2, 1) = 1; esp( 2, 1) =17.00140; con( 2, 1) = -.27278
      nexp( 2, 2) = 3; esp( 2, 2) =19.26490; con( 2, 2) = -.00266
      nexp( 2, 3) = 3; esp( 2, 3) =13.45290; con( 2, 3) =  .09766
      nexp( 2, 4) = 3; esp( 2, 4) =10.04290; con( 2, 4) =  .34603
      nexp( 2, 5) = 3; esp( 2, 5) = 6.93920; con( 2, 5) =  .59594
      nexp( 2, 6) = 3; esp( 2, 6) = 4.43640; con( 2, 6) =  .04978
      nexp( 2, 7) = 3; esp( 2, 7) = 2.90570; con( 2, 7) = -.00324
      nexp( 2, 8) = 3; esp( 2, 8) = 1.81900; con( 2, 8) =  .00121
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 8
      nexp( 3, 1) = 1; esp( 3, 1) =17.00140; con( 3, 1) =  .08249
      nexp( 3, 2) = 3; esp( 3, 2) =19.26490; con( 3, 2) =  .00237
      nexp( 3, 3) = 3; esp( 3, 3) =13.45290; con( 3, 3) = -.04193
      nexp( 3, 4) = 3; esp( 3, 4) =10.04290; con( 3, 4) = -.08968
      nexp( 3, 5) = 3; esp( 3, 5) = 6.93920; con( 3, 5) = -.27243
      nexp( 3, 6) = 3; esp( 3, 6) = 4.43640; con( 3, 6) = -.03736
      nexp( 3, 7) = 3; esp( 3, 7) = 2.90570; con( 3, 7) =  .67062
      nexp( 3, 8) = 3; esp( 3, 8) = 1.81900; con( 3, 8) =  .47342
      nprin( 4) = 2; nazim( 4) = 1; nconf( 4) = 6; nterm( 4) = 8
      nexp( 4, 1) = 2; esp( 4, 1) = 8.50000; con( 4, 1) =  .63254
      nexp( 4, 2) = 4; esp( 4, 2) =15.01240; con( 4, 2) =  .00287
      nexp( 4, 3) = 4; esp( 4, 3) =12.32570; con( 4, 3) =  .03393
      nexp( 4, 4) = 4; esp( 4, 4) = 8.37240; con( 4, 4) =  .27156
      nexp( 4, 5) = 4; esp( 4, 5) = 6.10920; con( 4, 5) =  .16389
      nexp( 4, 6) = 4; esp( 4, 6) = 3.19310; con( 4, 6) =  .00707
      nexp( 4, 7) = 4; esp( 4, 7) = 1.78630; con( 4, 7) = -.00034
      nexp( 4, 8) = 4; esp( 4, 8) =  .92930; con( 4, 8) =  .00036
      nprin( 5) = 3; nazim( 5) = 1; nconf( 5) = 5; nterm( 5) = 8
      nexp( 5, 1) = 2; esp( 5, 1) = 8.50000; con( 5, 1) = -.16954
      nexp( 5, 2) = 4; esp( 5, 2) =15.01240; con( 5, 2) = -.00982
      nexp( 5, 3) = 4; esp( 5, 3) =12.32570; con( 5, 3) =  .01280
      nexp( 5, 4) = 4; esp( 5, 4) = 8.37240; con( 5, 4) = -.10925
      nexp( 5, 5) = 4; esp( 5, 5) = 6.10920; con( 5, 5) =  .07066
      nexp( 5, 6) = 4; esp( 5, 6) = 3.19310; con( 5, 6) =  .56909
      nexp( 5, 7) = 4; esp( 5, 7) = 1.78630; con( 5, 7) =  .49144
      nexp( 5, 8) = 4; esp( 5, 8) =  .92930; con( 5, 8) =  .02336
    case(18)
      norb =  5
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 8
      nexp( 1, 1) = 1; esp( 1, 1) =18.01640; con( 1, 1) =  .97349
      nexp( 1, 2) = 3; esp( 1, 2) =22.04650; con( 1, 2) =  .01684
      nexp( 1, 3) = 3; esp( 1, 3) =16.08250; con( 1, 3) =  .02422
      nexp( 1, 4) = 3; esp( 1, 4) =11.63570; con( 1, 4) = -.00114
      nexp( 1, 5) = 3; esp( 1, 5) = 7.70365; con( 1, 5) =  .00123
      nexp( 1, 6) = 3; esp( 1, 6) = 4.87338; con( 1, 6) = -.00039
      nexp( 1, 7) = 3; esp( 1, 7) = 3.32987; con( 1, 7) =  .00010
      nexp( 1, 8) = 3; esp( 1, 8) = 2.02791; con( 1, 8) = -.00003
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 8
      nexp( 2, 1) = 1; esp( 2, 1) =18.01640; con( 2, 1) =  .27635
      nexp( 2, 2) = 3; esp( 2, 2) =22.04650; con( 2, 2) =  .00289
      nexp( 2, 3) = 3; esp( 2, 3) =16.08250; con( 2, 3) = -.03241
      nexp( 2, 4) = 3; esp( 2, 4) =11.63570; con( 2, 4) = -.33229
      nexp( 2, 5) = 3; esp( 2, 5) = 7.70365; con( 2, 5) = -.65828
      nexp( 2, 6) = 3; esp( 2, 6) = 4.87338; con( 2, 6) = -.06834
      nexp( 2, 7) = 3; esp( 2, 7) = 3.32987; con( 2, 7) =  .00623
      nexp( 2, 8) = 3; esp( 2, 8) = 2.02791; con( 2, 8) = -.00174
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 8
      nexp( 3, 1) = 1; esp( 3, 1) =18.01640; con( 3, 1) =  .08634
      nexp( 3, 2) = 3; esp( 3, 2) =22.04650; con( 3, 2) =  .00186
      nexp( 3, 3) = 3; esp( 3, 3) =16.08250; con( 3, 3) = -.01540
      nexp( 3, 4) = 3; esp( 3, 4) =11.63570; con( 3, 4) = -.10236
      nexp( 3, 5) = 3; esp( 3, 5) = 7.70365; con( 3, 5) = -.27614
      nexp( 3, 6) = 3; esp( 3, 6) = 4.87338; con( 3, 6) = -.11879
      nexp( 3, 7) = 3; esp( 3, 7) = 3.32987; con( 3, 7) =  .68436
      nexp( 3, 8) = 3; esp( 3, 8) = 2.02791; con( 3, 8) =  .52050
      nprin( 4) = 2; nazim( 4) = 1; nconf( 4) = 6; nterm( 4) = 8
      nexp( 4, 1) = 2; esp( 4, 1) = 9.05477; con( 4, 1) =  .64116
      nexp( 4, 2) = 4; esp( 4, 2) =15.54410; con( 4, 2) =  .00865
      nexp( 4, 3) = 4; esp( 4, 3) =12.39970; con( 4, 3) =  .04186
      nexp( 4, 4) = 4; esp( 4, 4) = 8.56120; con( 4, 4) =  .31735
      nexp( 4, 5) = 4; esp( 4, 5) = 5.94658; con( 4, 5) =  .09642
      nexp( 4, 6) = 4; esp( 4, 6) = 3.42459; con( 4, 6) =  .00003
      nexp( 4, 7) = 4; esp( 4, 7) = 1.96709; con( 4, 7) =  .00055
      nexp( 4, 8) = 4; esp( 4, 8) = 1.06717; con( 4, 8) = -.00013
      nprin( 5) = 3; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 8
      nexp( 5, 1) = 2; esp( 5, 1) = 9.05477; con( 5, 1) = -.17850
      nexp( 5, 2) = 4; esp( 5, 2) =15.54410; con( 5, 2) = -.00812
      nexp( 5, 3) = 4; esp( 5, 3) =12.39970; con( 5, 3) =  .00520
      nexp( 5, 4) = 4; esp( 5, 4) = 8.56120; con( 5, 4) = -.10986
      nexp( 5, 5) = 4; esp( 5, 5) = 5.94658; con( 5, 5) =  .10994
      nexp( 5, 6) = 4; esp( 5, 6) = 3.42459; con( 5, 6) =  .56149
      nexp( 5, 7) = 4; esp( 5, 7) = 1.96709; con( 5, 7) =  .46314
      nexp( 5, 8) = 4; esp( 5, 8) = 1.06717; con( 5, 8) =  .02951
    case(19)
      norb =  6
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =19.13500; con( 1, 1) = -.93619
      nexp( 1, 2) = 1; esp( 1, 2) =31.52500; con( 1, 2) = -.01385
      nexp( 1, 3) = 2; esp( 1, 3) =16.49860; con( 1, 3) = -.06342
      nexp( 1, 4) = 2; esp( 1, 4) = 7.67410; con( 1, 4) = -.00014
      nexp( 1, 5) = 3; esp( 1, 5) = 6.68508; con( 1, 5) = -.00139
      nexp( 1, 6) = 3; esp( 1, 6) = 4.04102; con( 1, 6) =  .00189
      nexp( 1, 7) = 3; esp( 1, 7) = 2.66919; con( 1, 7) = -.00212
      nexp( 1, 8) = 4; esp( 1, 8) = 2.59794; con( 1, 8) =  .00118
      nexp( 1, 9) = 4; esp( 1, 9) =  .56203; con( 1, 9) = -.00005
      nexp( 1,10) = 4; esp( 1,10) = 1.29017; con( 1,10) = -.00015
      nexp( 1,11) = 4; esp( 1,11) =  .76641; con( 1,11) =  .00011
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =19.13500; con( 2, 1) =  .27612
      nexp( 2, 2) = 1; esp( 2, 2) =31.52500; con( 2, 2) =  .00055
      nexp( 2, 3) = 2; esp( 2, 3) =16.49860; con( 2, 3) =  .14725
      nexp( 2, 4) = 2; esp( 2, 4) = 7.67410; con( 2, 4) = -.95199
      nexp( 2, 5) = 3; esp( 2, 5) = 6.68508; con( 2, 5) = -.19289
      nexp( 2, 6) = 3; esp( 2, 6) = 4.04102; con( 2, 6) = -.00059
      nexp( 2, 7) = 3; esp( 2, 7) = 2.66919; con( 2, 7) = -.00704
      nexp( 2, 8) = 4; esp( 2, 8) = 2.59794; con( 2, 8) =  .00327
      nexp( 2, 9) = 4; esp( 2, 9) =  .56203; con( 2, 9) = -.00016
      nexp( 2,10) = 4; esp( 2,10) = 1.29017; con( 2,10) = -.00045
      nexp( 2,11) = 4; esp( 2,11) =  .76641; con( 2,11) =  .00033
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =19.13500; con( 3, 1) =  .09267
      nexp( 3, 2) = 1; esp( 3, 2) =31.52500; con( 3, 2) = -.00066
      nexp( 3, 3) = 2; esp( 3, 3) =16.49860; con( 3, 3) =  .04980
      nexp( 3, 4) = 2; esp( 3, 4) = 7.67410; con( 3, 4) = -.33547
      nexp( 3, 5) = 3; esp( 3, 5) = 6.68508; con( 3, 5) = -.21345
      nexp( 3, 6) = 3; esp( 3, 6) = 4.04102; con( 3, 6) =  .43855
      nexp( 3, 7) = 3; esp( 3, 7) = 2.66919; con( 3, 7) =  .65200
      nexp( 3, 8) = 4; esp( 3, 8) = 2.59794; con( 3, 8) =  .09749
      nexp( 3, 9) = 4; esp( 3, 9) =  .56203; con( 3, 9) =  .00560
      nexp( 3,10) = 4; esp( 3,10) = 1.29017; con( 3,10) =  .01932
      nexp( 3,11) = 4; esp( 3,11) =  .76641; con( 3,11) = -.01161
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 1; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =19.13500; con( 4, 1) = -.01825
      nexp( 4, 2) = 1; esp( 4, 2) =31.52500; con( 4, 2) =  .00031
      nexp( 4, 3) = 2; esp( 4, 3) =16.49860; con( 4, 3) = -.00899
      nexp( 4, 4) = 2; esp( 4, 4) = 7.67410; con( 4, 4) =  .06350
      nexp( 4, 5) = 3; esp( 4, 5) = 6.68508; con( 4, 5) =  .05015
      nexp( 4, 6) = 3; esp( 4, 6) = 4.04102; con( 4, 6) = -.11346
      nexp( 4, 7) = 3; esp( 4, 7) = 2.66919; con( 4, 7) = -.11474
      nexp( 4, 8) = 4; esp( 4, 8) = 2.59794; con( 4, 8) = -.03065
      nexp( 4, 9) = 4; esp( 4, 9) =  .56203; con( 4, 9) =  .05190
      nexp( 4,10) = 4; esp( 4,10) = 1.29017; con( 4,10) =  .33431
      nexp( 4,11) = 4; esp( 4,11) =  .76641; con( 4,11) =  .70417
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) = 8.64187; con( 5, 1) =  .66743
      nexp( 5, 2) = 2; esp( 5, 2) =15.19360; con( 5, 2) =  .04207
      nexp( 5, 3) = 3; esp( 5, 3) = 6.91359; con( 5, 3) =  .34752
      nexp( 5, 4) = 3; esp( 5, 4) = 3.26163; con( 5, 4) =  .01398
      nexp( 5, 5) = 3; esp( 5, 5) = 2.00984; con( 5, 5) = -.00944
      nexp( 5, 6) = 3; esp( 5, 6) = 1.68876; con( 5, 6) =  .00526
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) = 8.64187; con( 6, 1) = -.20797
      nexp( 6, 2) = 2; esp( 6, 2) =15.19360; con( 6, 2) = -.01176
      nexp( 6, 3) = 3; esp( 6, 3) = 6.91359; con( 6, 3) = -.12744
      nexp( 6, 4) = 3; esp( 6, 4) = 3.26163; con( 6, 4) =  .56718
      nexp( 6, 5) = 3; esp( 6, 5) = 2.00984; con( 6, 5) =  .45273
      nexp( 6, 6) = 3; esp( 6, 6) = 1.68876; con( 6, 6) =  .09340
    case(20)
      norb =  6
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =19.97310; con( 1, 1) = -.94194
      nexp( 1, 2) = 1; esp( 1, 2) =32.15000; con( 1, 2) = -.01803
      nexp( 1, 3) = 2; esp( 1, 3) =17.23940; con( 1, 3) = -.05072
      nexp( 1, 4) = 2; esp( 1, 4) = 8.40361; con( 1, 4) = -.00216
      nexp( 1, 5) = 3; esp( 1, 5) = 7.46907; con( 1, 5) =  .00051
      nexp( 1, 6) = 3; esp( 1, 6) = 3.95936; con( 1, 6) = -.00010
      nexp( 1, 7) = 3; esp( 1, 7) = 3.01657; con( 1, 7) =  .00017
      nexp( 1, 8) = 4; esp( 1, 8) = 3.09105; con( 1, 8) = -.00006
      nexp( 1, 9) = 4; esp( 1, 9) = 1.62884; con( 1, 9) =  .00000
      nexp( 1,10) = 4; esp( 1,10) = 1.01203; con( 1,10) =  .00000
      nexp( 1,11) = 4; esp( 1,11) =  .66733; con( 1,11) =  .00000
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =19.97310; con( 2, 1) = -.28216
      nexp( 2, 2) = 1; esp( 2, 2) =32.15000; con( 2, 2) = -.00093
      nexp( 2, 3) = 2; esp( 2, 3) =17.23940; con( 2, 3) = -.15034
      nexp( 2, 4) = 2; esp( 2, 4) = 8.40361; con( 2, 4) =  .89604
      nexp( 2, 5) = 3; esp( 2, 5) = 7.46907; con( 2, 5) =  .25659
      nexp( 2, 6) = 3; esp( 2, 6) = 3.95936; con( 2, 6) =  .00978
      nexp( 2, 7) = 3; esp( 2, 7) = 3.01657; con( 2, 7) =  .00087
      nexp( 2, 8) = 4; esp( 2, 8) = 3.09105; con( 2, 8) = -.00173
      nexp( 2, 9) = 4; esp( 2, 9) = 1.62884; con( 2, 9) =  .00051
      nexp( 2,10) = 4; esp( 2,10) = 1.01203; con( 2,10) = -.00029
      nexp( 2,11) = 4; esp( 2,11) =  .66733; con( 2,11) =  .00010
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =19.97310; con( 3, 1) = -.09896
      nexp( 3, 2) = 1; esp( 3, 2) =32.15000; con( 3, 2) =  .00053
      nexp( 3, 3) = 2; esp( 3, 3) =17.23940; con( 3, 3) = -.05334
      nexp( 3, 4) = 2; esp( 3, 4) = 8.40361; con( 3, 4) =  .32943
      nexp( 3, 5) = 3; esp( 3, 5) = 7.46907; con( 3, 5) =  .22440
      nexp( 3, 6) = 3; esp( 3, 6) = 3.95936; con( 3, 6) = -.70524
      nexp( 3, 7) = 3; esp( 3, 7) = 3.01657; con( 3, 7) = -.12144
      nexp( 3, 8) = 4; esp( 3, 8) = 3.09105; con( 3, 8) = -.35525
      nexp( 3, 9) = 4; esp( 3, 9) = 1.62884; con( 3, 9) = -.01549
      nexp( 3,10) = 4; esp( 3,10) = 1.01203; con( 3,10) =  .00566
      nexp( 3,11) = 4; esp( 3,11) =  .66733; con( 3,11) = -.00179
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =19.97310; con( 4, 1) = -.02394
      nexp( 4, 2) = 1; esp( 4, 2) =32.15000; con( 4, 2) =  .00028
      nexp( 4, 3) = 2; esp( 4, 3) =17.23940; con( 4, 3) = -.01223
      nexp( 4, 4) = 2; esp( 4, 4) = 8.40361; con( 4, 4) =  .07777
      nexp( 4, 5) = 3; esp( 4, 5) = 7.46907; con( 4, 5) =  .06258
      nexp( 4, 6) = 3; esp( 4, 6) = 3.95936; con( 4, 6) = -.24085
      nexp( 4, 7) = 3; esp( 4, 7) = 3.01657; con( 4, 7) =  .05280
      nexp( 4, 8) = 4; esp( 4, 8) = 3.09105; con( 4, 8) = -.15243
      nexp( 4, 9) = 4; esp( 4, 9) = 1.62884; con( 4, 9) =  .32699
      nexp( 4,10) = 4; esp( 4,10) = 1.01203; con( 4,10) =  .66264
      nexp( 4,11) = 4; esp( 4,11) =  .66733; con( 4,11) =  .13150
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) = 9.12915; con( 5, 1) =  .67837
      nexp( 5, 2) = 2; esp( 5, 2) =15.99470; con( 5, 2) =  .04233
      nexp( 5, 3) = 3; esp( 5, 3) = 7.37779; con( 5, 3) =  .33353
      nexp( 5, 4) = 3; esp( 5, 4) = 3.62974; con( 5, 4) =  .01241
      nexp( 5, 5) = 3; esp( 5, 5) = 2.34862; con( 5, 5) = -.00454
      nexp( 5, 6) = 3; esp( 5, 6) = 1.64038; con( 5, 6) =  .00132
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) = 9.12915; con( 6, 1) = -.22553
      nexp( 6, 2) = 2; esp( 6, 2) =15.99470; con( 6, 2) = -.01276
      nexp( 6, 3) = 3; esp( 6, 3) = 7.37779; con( 6, 3) = -.13716
      nexp( 6, 4) = 3; esp( 6, 4) = 3.62974; con( 6, 4) =  .54465
      nexp( 6, 5) = 3; esp( 6, 5) = 2.34862; con( 6, 5) =  .52593
      nexp( 6, 6) = 3; esp( 6, 6) = 1.64038; con( 6, 6) =  .04492
    case(21)
      norb =  7
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =33.43000; con( 1, 1) = -.02013
      nexp( 1, 2) = 1; esp( 1, 2) =20.88130; con( 1, 2) = -.94537
      nexp( 1, 3) = 2; esp( 1, 3) =18.18780; con( 1, 3) = -.04302
      nexp( 1, 4) = 2; esp( 1, 4) = 8.42800; con( 1, 4) = -.00472
      nexp( 1, 5) = 3; esp( 1, 5) = 7.45380; con( 1, 5) =  .00331
      nexp( 1, 6) = 3; esp( 1, 6) = 4.78240; con( 1, 6) = -.00239
      nexp( 1, 7) = 3; esp( 1, 7) = 3.24065; con( 1, 7) =  .00177
      nexp( 1, 8) = 4; esp( 1, 8) = 2.65023; con( 1, 8) = -.00078
      nexp( 1, 9) = 4; esp( 1, 9) = 1.47432; con( 1, 9) =  .00041
      nexp( 1,10) = 4; esp( 1,10) = 1.06625; con( 1,10) = -.00034
      nexp( 1,11) = 4; esp( 1,11) =  .79396; con( 1,11) =  .00012
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =33.43000; con( 2, 1) = -.00114
      nexp( 2, 2) = 1; esp( 2, 2) =20.88130; con( 2, 2) = -.28660
      nexp( 2, 3) = 2; esp( 2, 3) =18.18780; con( 2, 3) = -.14705
      nexp( 2, 4) = 2; esp( 2, 4) = 8.42800; con( 2, 4) = 1.01171
      nexp( 2, 5) = 3; esp( 2, 5) = 7.45380; con( 2, 5) =  .12731
      nexp( 2, 6) = 3; esp( 2, 6) = 4.78240; con( 2, 6) =  .01004
      nexp( 2, 7) = 3; esp( 2, 7) = 3.24065; con( 2, 7) = -.00016
      nexp( 2, 8) = 4; esp( 2, 8) = 2.65023; con( 2, 8) =  .00040
      nexp( 2, 9) = 4; esp( 2, 9) = 1.47432; con( 2, 9) = -.00003
      nexp( 2,10) = 4; esp( 2,10) = 1.06625; con( 2,10) =  .00004
      nexp( 2,11) = 4; esp( 2,11) =  .79396; con( 2,11) =  .00001
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =33.43000; con( 3, 1) = -.00011
      nexp( 3, 2) = 1; esp( 3, 2) =20.88130; con( 3, 2) = -.10055
      nexp( 3, 3) = 2; esp( 3, 3) =18.18780; con( 3, 3) = -.05537
      nexp( 3, 4) = 2; esp( 3, 4) = 8.42800; con( 3, 4) =  .38472
      nexp( 3, 5) = 3; esp( 3, 5) = 7.45380; con( 3, 5) =  .21487
      nexp( 3, 6) = 3; esp( 3, 6) = 4.78240; con( 3, 6) = -.39743
      nexp( 3, 7) = 3; esp( 3, 7) = 3.24065; con( 3, 7) = -.73852
      nexp( 3, 8) = 4; esp( 3, 8) = 2.65023; con( 3, 8) = -.08548
      nexp( 3, 9) = 4; esp( 3, 9) = 1.47432; con( 3, 9) = -.00356
      nexp( 3,10) = 4; esp( 3,10) = 1.06625; con( 3,10) =  .00277
      nexp( 3,11) = 4; esp( 3,11) =  .79396; con( 3,11) = -.00046
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 1; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =33.43000; con( 4, 1) = -.00013
      nexp( 4, 2) = 1; esp( 4, 2) =20.88130; con( 4, 2) = -.02178
      nexp( 4, 3) = 2; esp( 4, 3) =18.18780; con( 4, 3) = -.01254
      nexp( 4, 4) = 2; esp( 4, 4) = 8.42800; con( 4, 4) =  .08561
      nexp( 4, 5) = 3; esp( 4, 5) = 7.45380; con( 4, 5) =  .05105
      nexp( 4, 6) = 3; esp( 4, 6) = 4.78240; con( 4, 6) = -.09233
      nexp( 4, 7) = 3; esp( 4, 7) = 3.24065; con( 4, 7) = -.20685
      nexp( 4, 8) = 4; esp( 4, 8) = 2.65023; con( 4, 8) =  .03083
      nexp( 4, 9) = 4; esp( 4, 9) = 1.47432; con( 4, 9) =  .37107
      nexp( 4,10) = 4; esp( 4,10) = 1.06625; con( 4,10) =  .35736
      nexp( 4,11) = 4; esp( 4,11) =  .79396; con( 4,11) =  .34952
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) =16.63600; con( 5, 1) =  .04468
      nexp( 5, 2) = 2; esp( 5, 2) = 9.58828; con( 5, 2) =  .68927
      nexp( 5, 3) = 3; esp( 5, 3) = 7.84586; con( 5, 3) =  .31591
      nexp( 5, 4) = 3; esp( 5, 4) = 4.19594; con( 5, 4) =  .01334
      nexp( 5, 5) = 3; esp( 5, 5) = 2.91102; con( 5, 5) = -.00350
      nexp( 5, 6) = 3; esp( 5, 6) = 2.03624; con( 5, 6) =  .00090
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) =16.63600; con( 6, 1) = -.01420
      nexp( 6, 2) = 2; esp( 6, 2) = 9.58828; con( 6, 2) = -.23164
      nexp( 6, 3) = 3; esp( 6, 3) = 7.84586; con( 6, 3) = -.14293
      nexp( 6, 4) = 3; esp( 6, 4) = 4.19594; con( 6, 4) =  .39187
      nexp( 6, 5) = 3; esp( 6, 5) = 2.91102; con( 6, 5) =  .51763
      nexp( 6, 6) = 3; esp( 6, 6) = 2.03624; con( 6, 6) =  .22030
      nprin( 7) = 3; nazim( 7) = 2; nconf( 7) = 2; nterm( 7) = 5
      nexp( 7, 1) = 3; esp( 7, 1) = 9.82074; con( 7, 1) =  .01277
      nexp( 7, 2) = 3; esp( 7, 2) = 5.12071; con( 7, 2) =  .08923
      nexp( 7, 3) = 3; esp( 7, 3) = 3.44801; con( 7, 3) =  .23086
      nexp( 7, 4) = 3; esp( 7, 4) = 1.96214; con( 7, 4) =  .44607
      nexp( 7, 5) = 3; esp( 7, 5) =  .97339; con( 7, 5) =  .43395
    case(22)
      norb =  7
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =34.96880; con( 1, 1) = -.01974
      nexp( 1, 2) = 1; esp( 1, 2) =21.84800; con( 1, 2) = -.94889
      nexp( 1, 3) = 2; esp( 1, 3) =18.92010; con( 1, 3) = -.03922
      nexp( 1, 4) = 2; esp( 1, 4) = 9.20495; con( 1, 4) = -.00452
      nexp( 1, 5) = 3; esp( 1, 5) = 8.32964; con( 1, 5) =  .00268
      nexp( 1, 6) = 3; esp( 1, 6) = 4.88574; con( 1, 6) = -.00170
      nexp( 1, 7) = 3; esp( 1, 7) = 3.41764; con( 1, 7) =  .00140
      nexp( 1, 8) = 4; esp( 1, 8) = 2.76107; con( 1, 8) = -.00056
      nexp( 1, 9) = 4; esp( 1, 9) = 1.51883; con( 1, 9) =  .00023
      nexp( 1,10) = 4; esp( 1,10) =  .98469; con( 1,10) = -.00019
      nexp( 1,11) = 4; esp( 1,11) =  .75129; con( 1,11) =  .00009
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =34.96880; con( 2, 1) =  .00092
      nexp( 2, 2) = 1; esp( 2, 2) =21.84800; con( 2, 2) =  .29029
      nexp( 2, 3) = 2; esp( 2, 3) =18.92010; con( 2, 3) =  .15367
      nexp( 2, 4) = 2; esp( 2, 4) = 9.20495; con( 2, 4) = -.94644
      nexp( 2, 5) = 3; esp( 2, 5) = 8.32964; con( 2, 5) = -.20462
      nexp( 2, 6) = 3; esp( 2, 6) = 4.88574; con( 2, 6) = -.01393
      nexp( 2, 7) = 3; esp( 2, 7) = 3.41764; con( 2, 7) =  .00191
      nexp( 2, 8) = 4; esp( 2, 8) = 2.76107; con( 2, 8) = -.00064
      nexp( 2, 9) = 4; esp( 2, 9) = 1.51883; con( 2, 9) = -.00001
      nexp( 2,10) = 4; esp( 2,10) =  .98469; con( 2,10) = -.00003
      nexp( 2,11) = 4; esp( 2,11) =  .75129; con( 2,11) = -.00002
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =34.96880; con( 3, 1) =  .00039
      nexp( 3, 2) = 1; esp( 3, 2) =21.84800; con( 3, 2) = -.10425
      nexp( 3, 3) = 2; esp( 3, 3) =18.92010; con( 3, 3) = -.05676
      nexp( 3, 4) = 2; esp( 3, 4) = 9.20495; con( 3, 4) =  .35898
      nexp( 3, 5) = 3; esp( 3, 5) = 8.32964; con( 3, 5) =  .22790
      nexp( 3, 6) = 3; esp( 3, 6) = 4.88574; con( 3, 6) = -.41824
      nexp( 3, 7) = 3; esp( 3, 7) = 3.41764; con( 3, 7) = -.70058
      nexp( 3, 8) = 4; esp( 3, 8) = 2.76107; con( 3, 8) = -.08081
      nexp( 3, 9) = 4; esp( 3, 9) = 1.51883; con( 3, 9) = -.00030
      nexp( 3,10) = 4; esp( 3,10) =  .98469; con( 3,10) =  .00055
      nexp( 3,11) = 4; esp( 3,11) =  .75129; con( 3,11) =  .00011
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 1; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =34.96880; con( 4, 1) = -.00002
      nexp( 4, 2) = 1; esp( 4, 2) =21.84800; con( 4, 2) = -.02239
      nexp( 4, 3) = 2; esp( 4, 3) =18.92010; con( 4, 3) = -.01272
      nexp( 4, 4) = 2; esp( 4, 4) = 9.20495; con( 4, 4) =  .07908
      nexp( 4, 5) = 3; esp( 4, 5) = 8.32964; con( 4, 5) =  .05313
      nexp( 4, 6) = 3; esp( 4, 6) = 4.88574; con( 4, 6) = -.09527
      nexp( 4, 7) = 3; esp( 4, 7) = 3.41764; con( 4, 7) = -.20002
      nexp( 4, 8) = 4; esp( 4, 8) = 2.76107; con( 4, 8) =  .04299
      nexp( 4, 9) = 4; esp( 4, 9) = 1.51883; con( 4, 9) =  .44641
      nexp( 4,10) = 4; esp( 4,10) =  .98469; con( 4,10) =  .47936
      nexp( 4,11) = 4; esp( 4,11) =  .75129; con( 4,11) =  .15020
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) =16.98400; con( 5, 1) =  .05092
      nexp( 5, 2) = 2; esp( 5, 2) =10.00440; con( 5, 2) =  .69833
      nexp( 5, 3) = 3; esp( 5, 3) = 8.29486; con( 5, 3) =  .29789
      nexp( 5, 4) = 3; esp( 5, 4) = 4.42269; con( 5, 4) =  .01255
      nexp( 5, 5) = 3; esp( 5, 5) = 2.82341; con( 5, 5) = -.00265
      nexp( 5, 6) = 3; esp( 5, 6) = 1.76950; con( 5, 6) =  .00074
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) =16.98400; con( 6, 1) = -.01662
      nexp( 6, 2) = 2; esp( 6, 2) =10.00440; con( 6, 2) = -.24001
      nexp( 6, 3) = 3; esp( 6, 3) = 8.29486; con( 6, 3) = -.14359
      nexp( 6, 4) = 3; esp( 6, 4) = 4.42269; con( 6, 4) =  .47723
      nexp( 6, 5) = 3; esp( 6, 5) = 2.82341; con( 6, 5) =  .59390
      nexp( 6, 6) = 3; esp( 6, 6) = 1.76950; con( 6, 6) =  .06603
      nprin( 7) = 3; nazim( 7) = 2; nconf( 7) = 3; nterm( 7) = 5
      nexp( 7, 1) = 3; esp( 7, 1) = 9.65902; con( 7, 1) =  .02081
      nexp( 7, 2) = 3; esp( 7, 2) = 4.96238; con( 7, 2) =  .14301
      nexp( 7, 3) = 3; esp( 7, 3) = 3.55660; con( 7, 3) =  .23499
      nexp( 7, 4) = 3; esp( 7, 4) = 2.05023; con( 7, 4) =  .47628
      nexp( 7, 5) = 3; esp( 7, 5) = 1.05347; con( 7, 5) =  .32923
    case(23)
      norb =  7
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =37.02920; con( 1, 1) = -.00964
      nexp( 1, 2) = 1; esp( 1, 2) =23.39970; con( 1, 2) = -.93492
      nexp( 1, 3) = 2; esp( 1, 3) =20.08310; con( 1, 3) = -.07154
      nexp( 1, 4) = 2; esp( 1, 4) = 9.11921; con( 1, 4) =  .00552
      nexp( 1, 5) = 3; esp( 1, 5) = 8.11916; con( 1, 5) = -.00786
      nexp( 1, 6) = 3; esp( 1, 6) = 5.26809; con( 1, 6) =  .01060
      nexp( 1, 7) = 3; esp( 1, 7) = 4.00791; con( 1, 7) = -.00895
      nexp( 1, 8) = 4; esp( 1, 8) = 3.50140; con( 1, 8) =  .00280
      nexp( 1, 9) = 4; esp( 1, 9) = 1.69909; con( 1, 9) = -.00049
      nexp( 1,10) = 4; esp( 1,10) = 1.05325; con( 1,10) =  .00039
      nexp( 1,11) = 4; esp( 1,11) =  .77575; con( 1,11) = -.00018
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =37.02920; con( 2, 1) =  .00077
      nexp( 2, 2) = 1; esp( 2, 2) =23.39970; con( 2, 2) = -.28557
      nexp( 2, 3) = 2; esp( 2, 3) =20.08310; con( 2, 3) = -.16081
      nexp( 2, 4) = 2; esp( 2, 4) = 9.11921; con( 2, 4) = 1.08184
      nexp( 2, 5) = 3; esp( 2, 5) = 8.11916; con( 2, 5) =  .04244
      nexp( 2, 6) = 3; esp( 2, 6) = 5.26809; con( 2, 6) =  .04079
      nexp( 2, 7) = 3; esp( 2, 7) = 4.00791; con( 2, 7) = -.02404
      nexp( 2, 8) = 4; esp( 2, 8) = 3.50140; con( 2, 8) =  .00733
      nexp( 2, 9) = 4; esp( 2, 9) = 1.69909; con( 2, 9) = -.00101
      nexp( 2,10) = 4; esp( 2,10) = 1.05325; con( 2,10) =  .00092
      nexp( 2,11) = 4; esp( 2,11) =  .77575; con( 2,11) = -.00037
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =37.02920; con( 3, 1) = -.00020
      nexp( 3, 2) = 1; esp( 3, 2) =23.39970; con( 3, 2) = -.10148
      nexp( 3, 3) = 2; esp( 3, 3) =20.08310; con( 3, 3) = -.06481
      nexp( 3, 4) = 2; esp( 3, 4) = 9.11921; con( 3, 4) =  .43135
      nexp( 3, 5) = 3; esp( 3, 5) = 8.11916; con( 3, 5) =  .19857
      nexp( 3, 6) = 3; esp( 3, 6) = 5.26809; con( 3, 6) = -.46495
      nexp( 3, 7) = 3; esp( 3, 7) = 4.00791; con( 3, 7) = -.50834
      nexp( 3, 8) = 4; esp( 3, 8) = 3.50140; con( 3, 8) = -.27469
      nexp( 3, 9) = 4; esp( 3, 9) = 1.69909; con( 3, 9) = -.01050
      nexp( 3,10) = 4; esp( 3,10) = 1.05325; con( 3,10) =  .00556
      nexp( 3,11) = 4; esp( 3,11) =  .77575; con( 3,11) = -.00200
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 1; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =37.02920; con( 4, 1) = -.00018
      nexp( 4, 2) = 1; esp( 4, 2) =23.39970; con( 4, 2) = -.02151
      nexp( 4, 3) = 2; esp( 4, 3) =20.08310; con( 4, 3) = -.01447
      nexp( 4, 4) = 2; esp( 4, 4) = 9.11921; con( 4, 4) =  .09457
      nexp( 4, 5) = 3; esp( 4, 5) = 8.11916; con( 4, 5) =  .04533
      nexp( 4, 6) = 3; esp( 4, 6) = 5.26809; con( 4, 6) = -.08789
      nexp( 4, 7) = 3; esp( 4, 7) = 4.00791; con( 4, 7) = -.17766
      nexp( 4, 8) = 4; esp( 4, 8) = 3.50140; con( 4, 8) = -.01527
      nexp( 4, 9) = 4; esp( 4, 9) = 1.69909; con( 4, 9) =  .40874
      nexp( 4,10) = 4; esp( 4,10) = 1.05325; con( 4,10) =  .53716
      nexp( 4,11) = 4; esp( 4,11) =  .77575; con( 4,11) =  .15436
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) =17.14970; con( 5, 1) =  .05986
      nexp( 5, 2) = 2; esp( 5, 2) =10.52830; con( 5, 2) =  .68454
      nexp( 5, 3) = 3; esp( 5, 3) = 8.88560; con( 5, 3) =  .29872
      nexp( 5, 4) = 3; esp( 5, 4) = 4.79752; con( 5, 4) =  .01687
      nexp( 5, 5) = 3; esp( 5, 5) = 3.06851; con( 5, 5) = -.00408
      nexp( 5, 6) = 3; esp( 5, 6) = 1.93057; con( 5, 6) =  .00118
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) =17.14970; con( 6, 1) = -.02038
      nexp( 6, 2) = 2; esp( 6, 2) =10.52830; con( 6, 2) = -.23838
      nexp( 6, 3) = 3; esp( 6, 3) = 8.88560; con( 6, 3) = -.15054
      nexp( 6, 4) = 3; esp( 6, 4) = 4.79752; con( 6, 4) =  .45436
      nexp( 6, 5) = 3; esp( 6, 5) = 3.06851; con( 6, 5) =  .60889
      nexp( 6, 6) = 3; esp( 6, 6) = 1.93057; con( 6, 6) =  .07858
      nprin( 7) = 3; nazim( 7) = 2; nconf( 7) = 4; nterm( 7) = 5
      nexp( 7, 1) = 3; esp( 7, 1) =10.48020; con( 7, 1) =  .02070
      nexp( 7, 2) = 3; esp( 7, 2) = 5.06949; con( 7, 2) =  .23919
      nexp( 7, 3) = 3; esp( 7, 3) = 3.05112; con( 7, 3) =  .31844
      nexp( 7, 4) = 3; esp( 7, 4) = 2.00201; con( 7, 4) =  .34569
      nexp( 7, 5) = 3; esp( 7, 5) = 1.14525; con( 7, 5) =  .27369
    case(24)
      norb =  7
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =35.59110; con( 1, 1) = -.02722
      nexp( 1, 2) = 1; esp( 1, 2) =23.95440; con( 1, 2) = -.93357
      nexp( 1, 3) = 2; esp( 1, 3) =21.65020; con( 1, 3) = -.04720
      nexp( 1, 4) = 2; esp( 1, 4) =10.09060; con( 1, 4) = -.00604
      nexp( 1, 5) = 3; esp( 1, 5) = 9.65415; con( 1, 5) =  .00363
      nexp( 1, 6) = 3; esp( 1, 6) = 5.90457; con( 1, 6) = -.00151
      nexp( 1, 7) = 3; esp( 1, 7) = 4.09494; con( 1, 7) =  .00100
      nexp( 1, 8) = 4; esp( 1, 8) = 3.12628; con( 1, 8) = -.00034
      nexp( 1, 9) = 4; esp( 1, 9) = 1.76632; con( 1, 9) =  .00014
      nexp( 1,10) = 4; esp( 1,10) = 1.07837; con( 1,10) = -.00009
      nexp( 1,11) = 4; esp( 1,11) =  .75455; con( 1,11) =  .00004
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =35.59110; con( 2, 1) = -.00977
      nexp( 2, 2) = 1; esp( 2, 2) =23.95440; con( 2, 2) = -.27707
      nexp( 2, 3) = 2; esp( 2, 3) =21.65020; con( 2, 3) = -.15417
      nexp( 2, 4) = 2; esp( 2, 4) =10.09060; con( 2, 4) =  .93227
      nexp( 2, 5) = 3; esp( 2, 5) = 9.65415; con( 2, 5) =  .19827
      nexp( 2, 6) = 3; esp( 2, 6) = 5.90457; con( 2, 6) =  .02629
      nexp( 2, 7) = 3; esp( 2, 7) = 4.09494; con( 2, 7) = -.00339
      nexp( 2, 8) = 4; esp( 2, 8) = 3.12628; con( 2, 8) =  .00078
      nexp( 2, 9) = 4; esp( 2, 9) = 1.76632; con( 2, 9) =  .00009
      nexp( 2,10) = 4; esp( 2,10) = 1.07837; con( 2,10) =  .00005
      nexp( 2,11) = 4; esp( 2,11) =  .75455; con( 2,11) =  .00006
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =35.59110; con( 3, 1) = -.00127
      nexp( 3, 2) = 1; esp( 3, 2) =23.95440; con( 3, 2) = -.10429
      nexp( 3, 3) = 2; esp( 3, 3) =21.65020; con( 3, 3) = -.05407
      nexp( 3, 4) = 2; esp( 3, 4) =10.09060; con( 3, 4) =  .34969
      nexp( 3, 5) = 3; esp( 3, 5) = 9.65415; con( 3, 5) =  .23940
      nexp( 3, 6) = 3; esp( 3, 6) = 5.90457; con( 3, 6) = -.25716
      nexp( 3, 7) = 3; esp( 3, 7) = 4.09494; con( 3, 7) = -.82284
      nexp( 3, 8) = 4; esp( 3, 8) = 3.12628; con( 3, 8) = -.12469
      nexp( 3, 9) = 4; esp( 3, 9) = 1.76632; con( 3, 9) =  .00348
      nexp( 3,10) = 4; esp( 3,10) = 1.07837; con( 3,10) = -.00196
      nexp( 3,11) = 4; esp( 3,11) =  .75455; con( 3,11) =  .00086
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 1; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =35.59110; con( 4, 1) = -.00018
      nexp( 4, 2) = 1; esp( 4, 2) =23.95440; con( 4, 2) = -.02218
      nexp( 4, 3) = 2; esp( 4, 3) =21.65020; con( 4, 3) = -.01125
      nexp( 4, 4) = 2; esp( 4, 4) =10.09060; con( 4, 4) =  .07371
      nexp( 4, 5) = 3; esp( 4, 5) = 9.65415; con( 4, 5) =  .05676
      nexp( 4, 6) = 3; esp( 4, 6) = 5.90457; con( 4, 6) = -.05977
      nexp( 4, 7) = 3; esp( 4, 7) = 4.09494; con( 4, 7) = -.21516
      nexp( 4, 8) = 4; esp( 4, 8) = 3.12628; con( 4, 8) =  .01657
      nexp( 4, 9) = 4; esp( 4, 9) = 1.76632; con( 4, 9) =  .40517
      nexp( 4,10) = 4; esp( 4,10) = 1.07837; con( 4,10) =  .57019
      nexp( 4,11) = 4; esp( 4,11) =  .75455; con( 4,11) =  .12089
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) =16.08310; con( 5, 1) =  .11416
      nexp( 5, 2) = 2; esp( 5, 2) =10.47530; con( 5, 2) =  .67530
      nexp( 5, 3) = 3; esp( 5, 3) = 9.35810; con( 5, 3) =  .24355
      nexp( 5, 4) = 3; esp( 5, 4) = 5.64044; con( 5, 4) =  .01945
      nexp( 5, 5) = 3; esp( 5, 5) = 3.41092; con( 5, 5) = -.00112
      nexp( 5, 6) = 3; esp( 5, 6) = 1.98103; con( 5, 6) =  .00034
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) =16.08310; con( 6, 1) = -.04558
      nexp( 6, 2) = 2; esp( 6, 2) =10.47530; con( 6, 2) = -.22347
      nexp( 6, 3) = 3; esp( 6, 3) = 9.35810; con( 6, 3) = -.16991
      nexp( 6, 4) = 3; esp( 6, 4) = 5.64044; con( 6, 4) =  .36285
      nexp( 6, 5) = 3; esp( 6, 5) = 3.41092; con( 6, 5) =  .72269
      nexp( 6, 6) = 3; esp( 6, 6) = 1.98103; con( 6, 6) =  .08413
      nprin( 7) = 3; nazim( 7) = 2; nconf( 7) = 5; nterm( 7) = 5
      nexp( 7, 1) = 3; esp( 7, 1) = 9.76336; con( 7, 1) =  .03088
      nexp( 7, 2) = 3; esp( 7, 2) = 5.47299; con( 7, 2) =  .20871
      nexp( 7, 3) = 3; esp( 7, 3) = 3.45917; con( 7, 3) =  .33792
      nexp( 7, 4) = 3; esp( 7, 4) = 2.18964; con( 7, 4) =  .35411
      nexp( 7, 5) = 3; esp( 7, 5) = 1.26443; con( 7, 5) =  .25996
    case(25)
      norb =  7
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =38.03710; con( 1, 1) = -.02069
      nexp( 1, 2) = 1; esp( 1, 2) =24.89280; con( 1, 2) = -.94796
      nexp( 1, 3) = 2; esp( 1, 3) =21.35560; con( 1, 3) = -.04058
      nexp( 1, 4) = 2; esp( 1, 4) =10.79310; con( 1, 4) = -.00077
      nexp( 1, 5) = 3; esp( 1, 5) = 9.86759; con( 1, 5) = -.00023
      nexp( 1, 6) = 3; esp( 1, 6) = 5.79804; con( 1, 6) =  .00049
      nexp( 1, 7) = 3; esp( 1, 7) = 4.19444; con( 1, 7) = -.00037
      nexp( 1, 8) = 4; esp( 1, 8) = 3.46874; con( 1, 8) =  .00014
      nexp( 1, 9) = 4; esp( 1, 9) = 1.78550; con( 1, 9) = -.00004
      nexp( 1,10) = 4; esp( 1,10) = 1.11627; con( 1,10) =  .00003
      nexp( 1,11) = 4; esp( 1,11) =  .82105; con( 1,11) = -.00002
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =38.03710; con( 2, 1) = -.00006
      nexp( 2, 2) = 1; esp( 2, 2) =24.89280; con( 2, 2) = -.29756
      nexp( 2, 3) = 2; esp( 2, 3) =21.35560; con( 2, 3) = -.16741
      nexp( 2, 4) = 2; esp( 2, 4) =10.79310; con( 2, 4) =  .94034
      nexp( 2, 5) = 3; esp( 2, 5) = 9.86759; con( 2, 5) =  .22321
      nexp( 2, 6) = 3; esp( 2, 6) = 5.79804; con( 2, 6) =  .01802
      nexp( 2, 7) = 3; esp( 2, 7) = 4.19444; con( 2, 7) = -.00337
      nexp( 2, 8) = 4; esp( 2, 8) = 3.46874; con( 2, 8) =  .00090
      nexp( 2, 9) = 4; esp( 2, 9) = 1.78550; con( 2, 9) =  .00006
      nexp( 2,10) = 4; esp( 2,10) = 1.11627; con( 2,10) =  .00005
      nexp( 2,11) = 4; esp( 2,11) =  .82105; con( 2,11) =  .00004
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =38.03710; con( 3, 1) =  .00072
      nexp( 3, 2) = 1; esp( 3, 2) =24.89280; con( 3, 2) = -.11008
      nexp( 3, 3) = 2; esp( 3, 3) =21.35560; con( 3, 3) = -.06397
      nexp( 3, 4) = 2; esp( 3, 4) =10.79310; con( 3, 4) =  .36711
      nexp( 3, 5) = 3; esp( 3, 5) = 9.86759; con( 3, 5) =  .24647
      nexp( 3, 6) = 3; esp( 3, 6) = 5.79804; con( 3, 6) = -.40172
      nexp( 3, 7) = 3; esp( 3, 7) = 4.19444; con( 3, 7) = -.67444
      nexp( 3, 8) = 4; esp( 3, 8) = 3.46874; con( 3, 8) = -.13450
      nexp( 3, 9) = 4; esp( 3, 9) = 1.78550; con( 3, 9) = -.00264
      nexp( 3,10) = 4; esp( 3,10) = 1.11627; con( 3,10) =  .00074
      nexp( 3,11) = 4; esp( 3,11) =  .82105; con( 3,11) = -.00030
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 1; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =38.03710; con( 4, 1) = -.00009
      nexp( 4, 2) = 1; esp( 4, 2) =24.89280; con( 4, 2) = -.02201
      nexp( 4, 3) = 2; esp( 4, 3) =21.35560; con( 4, 3) = -.01388
      nexp( 4, 4) = 2; esp( 4, 4) =10.79310; con( 4, 4) =  .07703
      nexp( 4, 5) = 3; esp( 4, 5) = 9.86759; con( 4, 5) =  .05210
      nexp( 4, 6) = 3; esp( 4, 6) = 5.79804; con( 4, 6) = -.07482
      nexp( 4, 7) = 3; esp( 4, 7) = 4.19444; con( 4, 7) = -.20098
      nexp( 4, 8) = 4; esp( 4, 8) = 3.46874; con( 4, 8) =  .03641
      nexp( 4, 9) = 4; esp( 4, 9) = 1.78550; con( 4, 9) =  .42209
      nexp( 4,10) = 4; esp( 4,10) = 1.11627; con( 4,10) =  .48789
      nexp( 4,11) = 4; esp( 4,11) =  .82105; con( 4,11) =  .18163
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) =16.38050; con( 5, 1) =  .14410
      nexp( 5, 2) = 2; esp( 5, 2) = 9.58293; con( 5, 2) =  .86565
      nexp( 5, 3) = 3; esp( 5, 3) = 9.11541; con( 5, 3) = -.00421
      nexp( 5, 4) = 3; esp( 5, 4) = 5.34168; con( 5, 4) =  .03620
      nexp( 5, 5) = 3; esp( 5, 5) = 3.67682; con( 5, 5) = -.01719
      nexp( 5, 6) = 3; esp( 5, 6) = 2.58797; con( 5, 6) =  .00540
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) =16.38050; con( 6, 1) = -.04540
      nexp( 6, 2) = 2; esp( 6, 2) = 9.58293; con( 6, 2) = -.32939
      nexp( 6, 3) = 3; esp( 6, 3) = 9.11541; con( 6, 3) = -.03171
      nexp( 6, 4) = 3; esp( 6, 4) = 5.34168; con( 6, 4) =  .44691
      nexp( 6, 5) = 3; esp( 6, 5) = 3.67682; con( 6, 5) =  .49006
      nexp( 6, 6) = 3; esp( 6, 6) = 2.58797; con( 6, 6) =  .20491
      nprin( 7) = 3; nazim( 7) = 2; nconf( 7) = 6; nterm( 7) = 5
      nexp( 7, 1) = 3; esp( 7, 1) =11.21860; con( 7, 1) =  .02378
      nexp( 7, 2) = 3; esp( 7, 2) = 5.84280; con( 7, 2) =  .23831
      nexp( 7, 3) = 3; esp( 7, 3) = 3.68285; con( 7, 3) =  .29512
      nexp( 7, 4) = 3; esp( 7, 4) = 2.43860; con( 7, 4) =  .36492
      nexp( 7, 5) = 3; esp( 7, 5) = 1.34276; con( 7, 5) =  .27319
    case(26)
      norb =  7
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =39.03330; con( 1, 1) =  .02500
      nexp( 1, 2) = 1; esp( 1, 2) =25.64990; con( 1, 2) =  .95463
      nexp( 1, 3) = 2; esp( 1, 3) =21.49470; con( 1, 3) =  .02697
      nexp( 1, 4) = 2; esp( 1, 4) =11.09700; con( 1, 4) =  .00253
      nexp( 1, 5) = 3; esp( 1, 5) = 9.57638; con( 1, 5) = -.00200
      nexp( 1, 6) = 3; esp( 1, 6) = 7.04409; con( 1, 6) =  .00145
      nexp( 1, 7) = 3; esp( 1, 7) = 4.67338; con( 1, 7) = -.00072
      nexp( 1, 8) = 4; esp( 1, 8) = 3.75688; con( 1, 8) =  .00023
      nexp( 1, 9) = 4; esp( 1, 9) = 1.92542; con( 1, 9) = -.00007
      nexp( 1,10) = 4; esp( 1,10) = 1.16347; con( 1,10) =  .00005
      nexp( 1,11) = 4; esp( 1,11) =  .80510; con( 1,11) = -.00002
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =39.03330; con( 2, 1) =  .00300
      nexp( 2, 2) = 1; esp( 2, 2) =25.64990; con( 2, 2) = -.30930
      nexp( 2, 3) = 2; esp( 2, 3) =21.49470; con( 2, 3) = -.17650
      nexp( 2, 4) = 2; esp( 2, 4) =11.09700; con( 2, 4) = 1.01804
      nexp( 2, 5) = 3; esp( 2, 5) = 9.57638; con( 2, 5) =  .17531
      nexp( 2, 6) = 3; esp( 2, 6) = 7.04409; con( 2, 6) = -.01169
      nexp( 2, 7) = 3; esp( 2, 7) = 4.67338; con( 2, 7) =  .01056
      nexp( 2, 8) = 4; esp( 2, 8) = 3.75688; con( 2, 8) = -.00252
      nexp( 2, 9) = 4; esp( 2, 9) = 1.92542; con( 2, 9) =  .00081
      nexp( 2,10) = 4; esp( 2,10) = 1.16347; con( 2,10) = -.00046
      nexp( 2,11) = 4; esp( 2,11) =  .80510; con( 2,11) =  .00024
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =39.03330; con( 3, 1) =  .00141
      nexp( 3, 2) = 1; esp( 3, 2) =25.64990; con( 3, 2) = -.11439
      nexp( 3, 3) = 2; esp( 3, 3) =21.49470; con( 3, 3) = -.07102
      nexp( 3, 4) = 2; esp( 3, 4) =11.09700; con( 3, 4) =  .40951
      nexp( 3, 5) = 3; esp( 3, 5) = 9.57638; con( 3, 5) =  .30648
      nexp( 3, 6) = 3; esp( 3, 6) = 7.04409; con( 3, 6) = -.33646
      nexp( 3, 7) = 3; esp( 3, 7) = 4.67338; con( 3, 7) = -.79119
      nexp( 3, 8) = 4; esp( 3, 8) = 3.75688; con( 3, 8) = -.17818
      nexp( 3, 9) = 4; esp( 3, 9) = 1.92542; con( 3, 9) = -.00419
      nexp( 3,10) = 4; esp( 3,10) = 1.16347; con( 3,10) =  .00114
      nexp( 3,11) = 4; esp( 3,11) =  .80510; con( 3,11) = -.00052
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 1; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =39.03330; con( 4, 1) =  .00006
      nexp( 4, 2) = 1; esp( 4, 2) =25.64990; con( 4, 2) = -.02200
      nexp( 4, 3) = 2; esp( 4, 3) =21.49470; con( 4, 3) = -.01479
      nexp( 4, 4) = 2; esp( 4, 4) =11.09700; con( 4, 4) =  .08261
      nexp( 4, 5) = 3; esp( 4, 5) = 9.57638; con( 4, 5) =  .06130
      nexp( 4, 6) = 3; esp( 4, 6) = 7.04409; con( 4, 6) = -.05983
      nexp( 4, 7) = 3; esp( 4, 7) = 4.67338; con( 4, 7) = -.20737
      nexp( 4, 8) = 4; esp( 4, 8) = 3.75688; con( 4, 8) =  .00950
      nexp( 4, 9) = 4; esp( 4, 9) = 1.92542; con( 4, 9) =  .38130
      nexp( 4,10) = 4; esp( 4,10) = 1.16347; con( 4,10) =  .55408
      nexp( 4,11) = 4; esp( 4,11) =  .80510; con( 4,11) =  .17020
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) =17.15460; con( 5, 1) =  .12045
      nexp( 5, 2) = 2; esp( 5, 2) =11.49160; con( 5, 2) =  .67287
      nexp( 5, 3) = 3; esp( 5, 3) =10.24270; con( 5, 3) =  .24344
      nexp( 5, 4) = 3; esp( 5, 4) = 5.48104; con( 5, 4) =  .01464
      nexp( 5, 5) = 3; esp( 5, 5) = 3.63388; con( 5, 5) = -.00247
      nexp( 5, 6) = 3; esp( 5, 6) = 2.55735; con( 5, 6) =  .00067
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) =17.15460; con( 6, 1) = -.03800
      nexp( 6, 2) = 2; esp( 6, 2) =11.49160; con( 6, 2) = -.25619
      nexp( 6, 3) = 3; esp( 6, 3) =10.24270; con( 6, 3) = -.12309
      nexp( 6, 4) = 3; esp( 6, 4) = 5.48104; con( 6, 4) =  .52113
      nexp( 6, 5) = 3; esp( 6, 5) = 3.63388; con( 6, 5) =  .48986
      nexp( 6, 6) = 3; esp( 6, 6) = 2.55735; con( 6, 6) =  .13139
      nprin( 7) = 3; nazim( 7) = 2; nconf( 7) = 7; nterm( 7) = 5
      nexp( 7, 1) = 3; esp( 7, 1) =11.54390; con( 7, 1) =  .02601
      nexp( 7, 2) = 3; esp( 7, 2) = 6.18854; con( 7, 2) =  .23679
      nexp( 7, 3) = 3; esp( 7, 3) = 4.02512; con( 7, 3) =  .27992
      nexp( 7, 4) = 3; esp( 7, 4) = 2.62070; con( 7, 4) =  .38759
      nexp( 7, 5) = 3; esp( 7, 5) = 1.41267; con( 7, 5) =  .26599
    case(27)
      norb =  7
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =42.04550; con( 1, 1) = -.02458
      nexp( 1, 2) = 1; esp( 1, 2) =26.37570; con( 1, 2) = -.96785
      nexp( 1, 3) = 2; esp( 1, 3) =22.36780; con( 1, 3) = -.00665
      nexp( 1, 4) = 2; esp( 1, 4) =11.95990; con( 1, 4) = -.01283
      nexp( 1, 5) = 3; esp( 1, 5) =10.73090; con( 1, 5) =  .01016
      nexp( 1, 6) = 3; esp( 1, 6) = 6.38758; con( 1, 6) = -.01334
      nexp( 1, 7) = 3; esp( 1, 7) = 5.29530; con( 1, 7) =  .01148
      nexp( 1, 8) = 4; esp( 1, 8) = 4.29211; con( 1, 8) = -.00218
      nexp( 1, 9) = 4; esp( 1, 9) = 2.07123; con( 1, 9) =  .00040
      nexp( 1,10) = 4; esp( 1,10) = 1.22938; con( 1,10) = -.00026
      nexp( 1,11) = 4; esp( 1,11) =  .82667; con( 1,11) =  .00011
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =42.04550; con( 2, 1) =  .00101
      nexp( 2, 2) = 1; esp( 2, 2) =26.37570; con( 2, 2) = -.31200
      nexp( 2, 3) = 2; esp( 2, 3) =22.36780; con( 2, 3) = -.17503
      nexp( 2, 4) = 2; esp( 2, 4) =11.95990; con( 2, 4) =  .94350
      nexp( 2, 5) = 3; esp( 2, 5) =10.73090; con( 2, 5) =  .24459
      nexp( 2, 6) = 3; esp( 2, 6) = 6.38758; con( 2, 6) =  .00811
      nexp( 2, 7) = 3; esp( 2, 7) = 5.29530; con( 2, 7) =  .00412
      nexp( 2, 8) = 4; esp( 2, 8) = 4.29211; con( 2, 8) = -.00089
      nexp( 2, 9) = 4; esp( 2, 9) = 2.07123; con( 2, 9) =  .00040
      nexp( 2,10) = 4; esp( 2,10) = 1.22938; con( 2,10) = -.00021
      nexp( 2,11) = 4; esp( 2,11) =  .82667; con( 2,11) =  .00012
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =42.04550; con( 3, 1) =  .00068
      nexp( 3, 2) = 1; esp( 3, 2) =26.37570; con( 3, 2) = -.11614
      nexp( 3, 3) = 2; esp( 3, 3) =22.36780; con( 3, 3) = -.07004
      nexp( 3, 4) = 2; esp( 3, 4) =11.95990; con( 3, 4) =  .37803
      nexp( 3, 5) = 3; esp( 3, 5) =10.73090; con( 3, 5) =  .25853
      nexp( 3, 6) = 3; esp( 3, 6) = 6.38758; con( 3, 6) = -.31313
      nexp( 3, 7) = 3; esp( 3, 7) = 5.29530; con( 3, 7) = -.59632
      nexp( 3, 8) = 4; esp( 3, 8) = 4.29211; con( 3, 8) = -.31652
      nexp( 3, 9) = 4; esp( 3, 9) = 2.07123; con( 3, 9) = -.00978
      nexp( 3,10) = 4; esp( 3,10) = 1.22938; con( 3,10) =  .00328
      nexp( 3,11) = 4; esp( 3,11) =  .82667; con( 3,11) = -.00134
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 1; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =42.04550; con( 4, 1) = -.00002
      nexp( 4, 2) = 1; esp( 4, 2) =26.37570; con( 4, 2) = -.02150
      nexp( 4, 3) = 2; esp( 4, 3) =22.36780; con( 4, 3) = -.01391
      nexp( 4, 4) = 2; esp( 4, 4) =11.95990; con( 4, 4) =  .07296
      nexp( 4, 5) = 3; esp( 4, 5) =10.73090; con( 4, 5) =  .04997
      nexp( 4, 6) = 3; esp( 4, 6) = 6.38758; con( 4, 6) = -.03259
      nexp( 4, 7) = 3; esp( 4, 7) = 5.29530; con( 4, 7) = -.18195
      nexp( 4, 8) = 4; esp( 4, 8) = 4.29211; con( 4, 8) = -.02548
      nexp( 4, 9) = 4; esp( 4, 9) = 2.07123; con( 4, 9) =  .34131
      nexp( 4,10) = 4; esp( 4,10) = 1.22938; con( 4,10) =  .57111
      nexp( 4,11) = 4; esp( 4,11) =  .82667; con( 4,11) =  .20483
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) =19.37300; con( 5, 1) =  .08595
      nexp( 5, 2) = 2; esp( 5, 2) =11.15270; con( 5, 2) =  .86614
      nexp( 5, 3) = 3; esp( 5, 3) = 8.58893; con( 5, 3) =  .08134
      nexp( 5, 4) = 3; esp( 5, 4) = 5.97118; con( 5, 4) = -.00018
      nexp( 5, 5) = 3; esp( 5, 5) = 3.82593; con( 5, 5) = -.00007
      nexp( 5, 6) = 3; esp( 5, 6) = 2.63314; con( 5, 6) =  .00071
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) =19.37300; con( 6, 1) = -.02461
      nexp( 6, 2) = 2; esp( 6, 2) =11.15270; con( 6, 2) = -.33858
      nexp( 6, 3) = 3; esp( 6, 3) = 8.58893; con( 6, 3) = -.09442
      nexp( 6, 4) = 3; esp( 6, 4) = 5.97118; con( 6, 4) =  .53832
      nexp( 6, 5) = 3; esp( 6, 5) = 3.82593; con( 6, 5) =  .53219
      nexp( 6, 6) = 3; esp( 6, 6) = 2.63314; con( 6, 6) =  .11623
      nprin( 7) = 3; nazim( 7) = 2; nconf( 7) = 8; nterm( 7) = 5
      nexp( 7, 1) = 3; esp( 7, 1) =12.96590; con( 7, 1) =  .01878
      nexp( 7, 2) = 3; esp( 7, 2) = 6.86293; con( 7, 2) =  .21901
      nexp( 7, 3) = 3; esp( 7, 3) = 4.30923; con( 7, 3) =  .32641
      nexp( 7, 4) = 3; esp( 7, 4) = 2.74770; con( 7, 4) =  .37036
      nexp( 7, 5) = 3; esp( 7, 5) = 1.49723; con( 7, 5) =  .26151
    case(28)
      norb =  7
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =41.39530; con( 1, 1) = -.02771
      nexp( 1, 2) = 1; esp( 1, 2) =27.50200; con( 1, 2) = -.95823
      nexp( 1, 3) = 2; esp( 1, 3) =22.43750; con( 1, 3) = -.01910
      nexp( 1, 4) = 2; esp( 1, 4) =12.52050; con( 1, 4) = -.00309
      nexp( 1, 5) = 3; esp( 1, 5) =10.82530; con( 1, 5) =  .00236
      nexp( 1, 6) = 3; esp( 1, 6) = 6.83997; con( 1, 6) = -.00310
      nexp( 1, 7) = 3; esp( 1, 7) = 5.57363; con( 1, 7) =  .00254
      nexp( 1, 8) = 4; esp( 1, 8) = 4.52162; con( 1, 8) = -.00049
      nexp( 1, 9) = 4; esp( 1, 9) = 2.21327; con( 1, 9) =  .00009
      nexp( 1,10) = 4; esp( 1,10) = 1.27722; con( 1,10) = -.00005
      nexp( 1,11) = 4; esp( 1,11) =  .84488; con( 1,11) =  .00002
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =41.39530; con( 2, 1) =  .00607
      nexp( 2, 2) = 1; esp( 2, 2) =27.50200; con( 2, 2) = -.32019
      nexp( 2, 3) = 2; esp( 2, 3) =22.43750; con( 2, 3) = -.19744
      nexp( 2, 4) = 2; esp( 2, 4) =12.52050; con( 2, 4) =  .98225
      nexp( 2, 5) = 3; esp( 2, 5) =10.82530; con( 2, 5) =  .24000
      nexp( 2, 6) = 3; esp( 2, 6) = 6.83997; con( 2, 6) = -.01707
      nexp( 2, 7) = 3; esp( 2, 7) = 5.57363; con( 2, 7) =  .01990
      nexp( 2, 8) = 4; esp( 2, 8) = 4.52162; con( 2, 8) = -.00299
      nexp( 2, 9) = 4; esp( 2, 9) = 2.21327; con( 2, 9) =  .00061
      nexp( 2,10) = 4; esp( 2,10) = 1.27722; con( 2,10) = -.00033
      nexp( 2,11) = 4; esp( 2,11) =  .84488; con( 2,11) =  .00015
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =41.39530; con( 3, 1) =  .00216
      nexp( 3, 2) = 1; esp( 3, 2) =27.50200; con( 3, 2) = -.11906
      nexp( 3, 3) = 2; esp( 3, 3) =22.43750; con( 3, 3) = -.08251
      nexp( 3, 4) = 2; esp( 3, 4) =12.52050; con( 3, 4) =  .40374
      nexp( 3, 5) = 3; esp( 3, 5) =10.82530; con( 3, 5) =  .27229
      nexp( 3, 6) = 3; esp( 3, 6) = 6.83997; con( 3, 6) = -.33533
      nexp( 3, 7) = 3; esp( 3, 7) = 5.57363; con( 3, 7) = -.58528
      nexp( 3, 8) = 4; esp( 3, 8) = 4.52162; con( 3, 8) = -.33156
      nexp( 3, 9) = 4; esp( 3, 9) = 2.21327; con( 3, 9) = -.01055
      nexp( 3,10) = 4; esp( 3,10) = 1.27722; con( 3,10) =  .00314
      nexp( 3,11) = 4; esp( 3,11) =  .84488; con( 3,11) = -.00128
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 1; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =41.39530; con( 4, 1) =  .00039
      nexp( 4, 2) = 1; esp( 4, 2) =27.50200; con( 4, 2) = -.02149
      nexp( 4, 3) = 2; esp( 4, 3) =22.43750; con( 4, 3) = -.01505
      nexp( 4, 4) = 2; esp( 4, 4) =12.52050; con( 4, 4) =  .07354
      nexp( 4, 5) = 3; esp( 4, 5) =10.82530; con( 4, 5) =  .05440
      nexp( 4, 6) = 3; esp( 4, 6) = 6.83997; con( 4, 6) = -.05768
      nexp( 4, 7) = 3; esp( 4, 7) = 5.57363; con( 4, 7) = -.14534
      nexp( 4, 8) = 4; esp( 4, 8) = 4.52162; con( 4, 8) = -.04181
      nexp( 4, 9) = 4; esp( 4, 9) = 2.21327; con( 4, 9) =  .31587
      nexp( 4,10) = 4; esp( 4,10) = 1.27722; con( 4,10) =  .58993
      nexp( 4,11) = 4; esp( 4,11) =  .84488; con( 4,11) =  .22002
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) =18.54110; con( 5, 1) =  .13236
      nexp( 5, 2) = 2; esp( 5, 2) =11.45370; con( 5, 2) =  .80317
      nexp( 5, 3) = 3; esp( 5, 3) =10.93120; con( 5, 3) =  .07733
      nexp( 5, 4) = 3; esp( 5, 4) = 5.94694; con( 5, 4) =  .03748
      nexp( 5, 5) = 3; esp( 5, 5) = 4.39883; con( 5, 5) = -.02213
      nexp( 5, 6) = 3; esp( 5, 6) = 3.23023; con( 5, 6) =  .00672
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) =18.54110; con( 6, 1) = -.03965
      nexp( 6, 2) = 2; esp( 6, 2) =11.45370; con( 6, 2) = -.32222
      nexp( 6, 3) = 3; esp( 6, 3) =10.93120; con( 6, 3) = -.04933
      nexp( 6, 4) = 3; esp( 6, 4) = 5.94694; con( 6, 4) =  .52515
      nexp( 6, 5) = 3; esp( 6, 5) = 4.39883; con( 6, 5) =  .29124
      nexp( 6, 6) = 3; esp( 6, 6) = 3.23023; con( 6, 6) =  .32070
      nprin( 7) = 3; nazim( 7) = 2; nconf( 7) = 9; nterm( 7) = 5
      nexp( 7, 1) = 3; esp( 7, 1) =11.84520; con( 7, 1) =  .03219
      nexp( 7, 2) = 3; esp( 7, 2) = 6.96821; con( 7, 2) =  .21853
      nexp( 7, 3) = 3; esp( 7, 3) = 4.58757; con( 7, 3) =  .30420
      nexp( 7, 4) = 3; esp( 7, 4) = 2.95021; con( 7, 4) =  .37397
      nexp( 7, 5) = 3; esp( 7, 5) = 1.58997; con( 7, 5) =  .26745
    case(29)
      norb =  7
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =28.48390; con( 1, 1) = -.95789
      nexp( 1, 2) = 1; esp( 1, 2) =42.50560; con( 1, 2) = -.02856
      nexp( 1, 3) = 2; esp( 1, 3) =23.54780; con( 1, 3) = -.01759
      nexp( 1, 4) = 2; esp( 1, 4) =13.26670; con( 1, 4) = -.00457
      nexp( 1, 5) = 3; esp( 1, 5) =11.52060; con( 1, 5) =  .00440
      nexp( 1, 6) = 3; esp( 1, 6) = 8.09772; con( 1, 6) = -.00584
      nexp( 1, 7) = 3; esp( 1, 7) = 6.70827; con( 1, 7) =  .00407
      nexp( 1, 8) = 4; esp( 1, 8) = 5.07948; con( 1, 8) = -.00063
      nexp( 1, 9) = 4; esp( 1, 9) = 3.19095; con( 1, 9) =  .00015
      nexp( 1,10) = 4; esp( 1,10) = 1.53564; con( 1,10) = -.00003
      nexp( 1,11) = 4; esp( 1,11) =  .87051; con( 1,11) =  .00001
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =28.48390; con( 2, 1) = -.31805
      nexp( 2, 2) = 1; esp( 2, 2) =42.50560; con( 2, 2) =  .00412
      nexp( 2, 3) = 2; esp( 2, 3) =23.54780; con( 2, 3) = -.19769
      nexp( 2, 4) = 2; esp( 2, 4) =13.26670; con( 2, 4) =  .93663
      nexp( 2, 5) = 3; esp( 2, 5) =11.52060; con( 2, 5) =  .29775
      nexp( 2, 6) = 3; esp( 2, 6) = 8.09772; con( 2, 6) = -.04582
      nexp( 2, 7) = 3; esp( 2, 7) = 6.70827; con( 2, 7) =  .04007
      nexp( 2, 8) = 4; esp( 2, 8) = 5.07948; con( 2, 8) = -.00460
      nexp( 2, 9) = 4; esp( 2, 9) = 3.19095; con( 2, 9) =  .00127
      nexp( 2,10) = 4; esp( 2,10) = 1.53564; con( 2,10) = -.00028
      nexp( 2,11) = 4; esp( 2,11) =  .87051; con( 2,11) =  .00010
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =28.48390; con( 3, 1) = -.11906
      nexp( 3, 2) = 1; esp( 3, 2) =42.50560; con( 3, 2) =  .00160
      nexp( 3, 3) = 2; esp( 3, 3) =23.54780; con( 3, 3) = -.08169
      nexp( 3, 4) = 2; esp( 3, 4) =13.26670; con( 3, 4) =  .38342
      nexp( 3, 5) = 3; esp( 3, 5) =11.52060; con( 3, 5) =  .28466
      nexp( 3, 6) = 3; esp( 3, 6) = 8.09772; con( 3, 6) =  .04973
      nexp( 3, 7) = 3; esp( 3, 7) = 6.70827; con( 3, 7) = -.83111
      nexp( 3, 8) = 4; esp( 3, 8) = 5.07948; con( 3, 8) = -.44639
      nexp( 3, 9) = 4; esp( 3, 9) = 3.19095; con( 3, 9) = -.03257
      nexp( 3,10) = 4; esp( 3,10) = 1.53564; con( 3,10) =  .00086
      nexp( 3,11) = 4; esp( 3,11) =  .87051; con( 3,11) = -.00037
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 1; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =28.48390; con( 4, 1) = -.02267
      nexp( 4, 2) = 1; esp( 4, 2) =42.50560; con( 4, 2) =  .00143
      nexp( 4, 3) = 2; esp( 4, 3) =23.54780; con( 4, 3) = -.00941
      nexp( 4, 4) = 2; esp( 4, 4) =13.26670; con( 4, 4) =  .05604
      nexp( 4, 5) = 3; esp( 4, 5) =11.52060; con( 4, 5) =  .08953
      nexp( 4, 6) = 3; esp( 4, 6) = 8.09772; con( 4, 6) = -.11580
      nexp( 4, 7) = 3; esp( 4, 7) = 6.70827; con( 4, 7) = -.03951
      nexp( 4, 8) = 4; esp( 4, 8) = 5.07948; con( 4, 8) = -.15751
      nexp( 4, 9) = 4; esp( 4, 9) = 3.19095; con( 4, 9) =  .17463
      nexp( 4,10) = 4; esp( 4,10) = 1.53564; con( 4,10) =  .66426
      nexp( 4,11) = 4; esp( 4,11) =  .87051; con( 4,11) =  .34469
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) =11.88610; con( 5, 1) =  .84302
      nexp( 5, 2) = 2; esp( 5, 2) =19.58060; con( 5, 2) =  .11714
      nexp( 5, 3) = 3; esp( 5, 3) =10.83980; con( 5, 3) =  .04499
      nexp( 5, 4) = 3; esp( 5, 4) = 7.30670; con( 5, 4) =  .03012
      nexp( 5, 5) = 3; esp( 5, 5) = 4.57017; con( 5, 5) = -.00511
      nexp( 5, 6) = 3; esp( 5, 6) = 2.89365; con( 5, 6) =  .00182
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) =11.88610; con( 6, 1) = -.32074
      nexp( 6, 2) = 2; esp( 6, 2) =19.58060; con( 6, 2) = -.04070
      nexp( 6, 3) = 3; esp( 6, 3) =10.83980; con( 6, 3) = -.10529
      nexp( 6, 4) = 3; esp( 6, 4) = 7.30670; con( 6, 4) =  .37164
      nexp( 6, 5) = 3; esp( 6, 5) = 4.57017; con( 6, 5) =  .67096
      nexp( 6, 6) = 3; esp( 6, 6) = 2.89365; con( 6, 6) =  .14959
      nprin( 7) = 3; nazim( 7) = 2; nconf( 7) =10; nterm( 7) = 5
      nexp( 7, 1) = 3; esp( 7, 1) = 5.21851; con( 7, 1) =  .29853
      nexp( 7, 2) = 3; esp( 7, 2) =12.96880; con( 7, 2) =  .02649
      nexp( 7, 3) = 3; esp( 7, 3) = 7.61139; con( 7, 3) =  .18625
      nexp( 7, 4) = 3; esp( 7, 4) = 3.18734; con( 7, 4) =  .42214
      nexp( 7, 5) = 3; esp( 7, 5) = 1.66248; con( 7, 5) =  .26291
  end select

  return
end

!***********************************************************************

subroutine clempar2(Z,norb,nprin,nazim,nconf,nterm,nexp,esp,con)

  use declarations
  implicit none
  
  integer, parameter:: norbm = 11
  integer, parameter:: ntrm = 11

  integer:: norb, Z
  
  integer, dimension(norbm):: nazim, nconf, nprin, nterm
  integer, dimension(norbm,ntrm):: nexp

  real(kind=db), dimension(norbm,ntrm):: esp, con

  select case(Z)

    case(30)
      norb =  7
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =29.48600; con( 1, 1) = -.95504
      nexp( 1, 2) = 1; esp( 1, 2) =43.28590; con( 1, 2) = -.03057
      nexp( 1, 3) = 2; esp( 1, 3) =24.73990; con( 1, 3) = -.01886
      nexp( 1, 4) = 2; esp( 1, 4) =13.15510; con( 1, 4) = -.00384
      nexp( 1, 5) = 3; esp( 1, 5) =12.00720; con( 1, 5) =  .00264
      nexp( 1, 6) = 3; esp( 1, 6) = 7.19899; con( 1, 6) = -.00287
      nexp( 1, 7) = 3; esp( 1, 7) = 5.90512; con( 1, 7) =  .00246
      nexp( 1, 8) = 4; esp( 1, 8) = 4.83215; con( 1, 8) = -.00049
      nexp( 1, 9) = 4; esp( 1, 9) = 2.30295; con( 1, 9) =  .00009
      nexp( 1,10) = 4; esp( 1,10) = 1.39478; con( 1,10) = -.00006
      nexp( 1,11) = 4; esp( 1,11) =  .94264; con( 1,11) =  .00002
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =29.48600; con( 2, 1) = -.31973
      nexp( 2, 2) = 1; esp( 2, 2) =43.28590; con( 2, 2) =  .00458
      nexp( 2, 3) = 2; esp( 2, 3) =24.73990; con( 2, 3) = -.18330
      nexp( 2, 4) = 2; esp( 2, 4) =13.15510; con( 2, 4) = 1.00556
      nexp( 2, 5) = 3; esp( 2, 5) =12.00720; con( 2, 5) =  .17770
      nexp( 2, 6) = 3; esp( 2, 6) = 7.19899; con( 2, 6) =  .03350
      nexp( 2, 7) = 3; esp( 2, 7) = 5.90512; con( 2, 7) = -.01651
      nexp( 2, 8) = 4; esp( 2, 8) = 4.83215; con( 2, 8) =  .00305
      nexp( 2, 9) = 4; esp( 2, 9) = 2.30295; con( 2, 9) = -.00035
      nexp( 2,10) = 4; esp( 2,10) = 1.39478; con( 2,10) =  .00024
      nexp( 2,11) = 4; esp( 2,11) =  .94264; con( 2,11) = -.00010
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =29.48600; con( 3, 1) = -.11970
      nexp( 3, 2) = 1; esp( 3, 2) =43.28590; con( 3, 2) =  .00113
      nexp( 3, 3) = 2; esp( 3, 3) =24.73990; con( 3, 3) = -.07840
      nexp( 3, 4) = 2; esp( 3, 4) =13.15510; con( 3, 4) =  .41934
      nexp( 3, 5) = 3; esp( 3, 5) =12.00720; con( 3, 5) =  .23499
      nexp( 3, 6) = 3; esp( 3, 6) = 7.19899; con( 3, 6) = -.35324
      nexp( 3, 7) = 3; esp( 3, 7) = 5.90512; con( 3, 7) = -.58692
      nexp( 3, 8) = 4; esp( 3, 8) = 4.83215; con( 3, 8) = -.29127
      nexp( 3, 9) = 4; esp( 3, 9) = 2.30295; con( 3, 9) = -.00539
      nexp( 3,10) = 4; esp( 3,10) = 1.39478; con( 3,10) =  .00164
      nexp( 3,11) = 4; esp( 3,11) =  .94264; con( 3,11) = -.00050
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =29.48600; con( 4, 1) = -.02302
      nexp( 4, 2) = 1; esp( 4, 2) =43.28590; con( 4, 2) = -.00032
      nexp( 4, 3) = 2; esp( 4, 3) =24.73990; con( 4, 3) = -.01758
      nexp( 4, 4) = 2; esp( 4, 4) =13.15510; con( 4, 4) =  .08850
      nexp( 4, 5) = 3; esp( 4, 5) =12.00720; con( 4, 5) =  .04466
      nexp( 4, 6) = 3; esp( 4, 6) = 7.19899; con( 4, 6) = -.02731
      nexp( 4, 7) = 3; esp( 4, 7) = 5.90512; con( 4, 7) = -.21465
      nexp( 4, 8) = 4; esp( 4, 8) = 4.83215; con( 4, 8) = -.00882
      nexp( 4, 9) = 4; esp( 4, 9) = 2.30295; con( 4, 9) =  .41428
      nexp( 4,10) = 4; esp( 4,10) = 1.39478; con( 4,10) =  .52676
      nexp( 4,11) = 4; esp( 4,11) =  .94264; con( 4,11) =  .17422
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 6
      nexp( 5, 1) = 2; esp( 5, 1) =12.37110; con( 5, 1) =  .87225
      nexp( 5, 2) = 2; esp( 5, 2) =20.71820; con( 5, 2) =  .10237
      nexp( 5, 3) = 3; esp( 5, 3) = 8.82555; con( 5, 3) =  .06399
      nexp( 5, 4) = 3; esp( 5, 4) = 6.89964; con( 5, 4) = -.01065
      nexp( 5, 5) = 3; esp( 5, 5) = 4.13660; con( 5, 5) =  .00203
      nexp( 5, 6) = 3; esp( 5, 6) = 2.20119; con( 5, 6) = -.00007
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 6
      nexp( 6, 1) = 2; esp( 6, 1) =12.37110; con( 6, 1) = -.35894
      nexp( 6, 2) = 2; esp( 6, 2) =20.71820; con( 6, 2) = -.02867
      nexp( 6, 3) = 3; esp( 6, 3) = 8.82555; con( 6, 3) = -.14269
      nexp( 6, 4) = 3; esp( 6, 4) = 6.89964; con( 6, 4) =  .64545
      nexp( 6, 5) = 3; esp( 6, 5) = 4.13660; con( 6, 5) =  .58274
      nexp( 6, 6) = 3; esp( 6, 6) = 2.20119; con( 6, 6) =  .02297
      nprin( 7) = 3; nazim( 7) = 2; nconf( 7) =10; nterm( 7) = 5
      nexp( 7, 1) = 3; esp( 7, 1) = 5.02809; con( 7, 1) =  .38099
      nexp( 7, 2) = 3; esp( 7, 2) =14.55740; con( 7, 2) =  .02036
      nexp( 7, 3) = 3; esp( 7, 3) = 8.00450; con( 7, 3) =  .22908
      nexp( 7, 4) = 3; esp( 7, 4) = 3.05216; con( 7, 4) =  .38095
      nexp( 7, 5) = 3; esp( 7, 5) = 1.78869; con( 7, 5) =  .16037
    case(31)
      norb =  8
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =10
      nexp( 1, 1) = 1; esp( 1, 1) =28.81010; con( 1, 1) =  .74710
      nexp( 1, 2) = 1; esp( 1, 2) =35.61210; con( 1, 2) =  .25535
      nexp( 1, 3) = 2; esp( 1, 3) =26.15790; con( 1, 3) =  .00008
      nexp( 1, 4) = 2; esp( 1, 4) =13.27810; con( 1, 4) =  .00169
      nexp( 1, 5) = 3; esp( 1, 5) =12.54240; con( 1, 5) = -.00014
      nexp( 1, 6) = 3; esp( 1, 6) = 7.45372; con( 1, 6) = -.00033
      nexp( 1, 7) = 3; esp( 1, 7) = 4.91188; con( 1, 7) =  .00015
      nexp( 1, 8) = 4; esp( 1, 8) = 2.62926; con( 1, 8) = -.00005
      nexp( 1, 9) = 4; esp( 1, 9) = 1.58911; con( 1, 9) =  .00004
      nexp( 1,10) = 4; esp( 1,10) = 1.03307; con( 1,10) = -.00002
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =10
      nexp( 2, 1) = 1; esp( 2, 1) =28.81010; con( 2, 1) =  .30472
      nexp( 2, 2) = 1; esp( 2, 2) =35.61210; con( 2, 2) =  .02593
      nexp( 2, 3) = 2; esp( 2, 3) =26.15790; con( 2, 3) =  .15106
      nexp( 2, 4) = 2; esp( 2, 4) =13.27810; con( 2, 4) =-1.03361
      nexp( 2, 5) = 3; esp( 2, 5) =12.54240; con( 2, 5) = -.12909
      nexp( 2, 6) = 3; esp( 2, 6) = 7.45372; con( 2, 6) = -.02392
      nexp( 2, 7) = 3; esp( 2, 7) = 4.91188; con( 2, 7) =  .00424
      nexp( 2, 8) = 4; esp( 2, 8) = 2.62926; con( 2, 8) = -.00119
      nexp( 2, 9) = 4; esp( 2, 9) = 1.58911; con( 2, 9) =  .00084
      nexp( 2,10) = 4; esp( 2,10) = 1.03307; con( 2,10) = -.00034
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =10
      nexp( 3, 1) = 1; esp( 3, 1) =28.81010; con( 3, 1) = -.11978
      nexp( 3, 2) = 1; esp( 3, 2) =35.61210; con( 3, 2) = -.00728
      nexp( 3, 3) = 2; esp( 3, 3) =26.15790; con( 3, 3) = -.06164
      nexp( 3, 4) = 2; esp( 3, 4) =13.27810; con( 3, 4) =  .42524
      nexp( 3, 5) = 3; esp( 3, 5) =12.54240; con( 3, 5) =  .23678
      nexp( 3, 6) = 3; esp( 3, 6) = 7.45372; con( 3, 6) = -.54469
      nexp( 3, 7) = 3; esp( 3, 7) = 4.91188; con( 3, 7) = -.67749
      nexp( 3, 8) = 4; esp( 3, 8) = 2.62926; con( 3, 8) = -.00788
      nexp( 3, 9) = 4; esp( 3, 9) = 1.58911; con( 3, 9) =  .00186
      nexp( 3,10) = 4; esp( 3,10) = 1.03307; con( 3,10) = -.00049
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =10
      nexp( 4, 1) = 1; esp( 4, 1) =28.81010; con( 4, 1) = -.03229
      nexp( 4, 2) = 1; esp( 4, 2) =35.61210; con( 4, 2) =  .00156
      nexp( 4, 3) = 2; esp( 4, 3) =26.15790; con( 4, 3) = -.01150
      nexp( 4, 4) = 2; esp( 4, 4) =13.27810; con( 4, 4) =  .09475
      nexp( 4, 5) = 3; esp( 4, 5) =12.54240; con( 4, 5) =  .07128
      nexp( 4, 6) = 3; esp( 4, 6) = 7.45372; con( 4, 6) = -.16710
      nexp( 4, 7) = 3; esp( 4, 7) = 4.91188; con( 4, 7) = -.16344
      nexp( 4, 8) = 4; esp( 4, 8) = 2.62926; con( 4, 8) =  .44141
      nexp( 4, 9) = 4; esp( 4, 9) = 1.58911; con( 4, 9) =  .57985
      nexp( 4,10) = 4; esp( 4,10) = 1.03307; con( 4,10) =  .10455
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 9
      nexp( 5, 1) = 2; esp( 5, 1) =12.51630; con( 5, 1) =  .89110
      nexp( 5, 2) = 2; esp( 5, 2) =20.94950; con( 5, 2) =  .11879
      nexp( 5, 3) = 3; esp( 5, 3) =12.15290; con( 5, 3) = -.01678
      nexp( 5, 4) = 3; esp( 5, 4) = 7.64617; con( 5, 4) =  .04239
      nexp( 5, 5) = 3; esp( 5, 5) = 4.93738; con( 5, 5) = -.01281
      nexp( 5, 6) = 4; esp( 5, 6) = 3.55119; con( 5, 6) =  .00488
      nexp( 5, 7) = 4; esp( 5, 7) = 1.98803; con( 5, 7) = -.00227
      nexp( 5, 8) = 4; esp( 5, 8) = 1.18954; con( 5, 8) =  .00163
      nexp( 5, 9) = 4; esp( 5, 9) =  .86212; con( 5, 9) = -.00076
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =12.51630; con( 6, 1) =  .35639
      nexp( 6, 2) = 2; esp( 6, 2) =20.94950; con( 6, 2) =  .04000
      nexp( 6, 3) = 3; esp( 6, 3) =12.15290; con( 6, 3) =  .05337
      nexp( 6, 4) = 3; esp( 6, 4) = 7.64617; con( 6, 4) = -.37284
      nexp( 6, 5) = 3; esp( 6, 5) = 4.93738; con( 6, 5) = -.71286
      nexp( 6, 6) = 4; esp( 6, 6) = 3.55119; con( 6, 6) = -.08520
      nexp( 6, 7) = 4; esp( 6, 7) = 1.98803; con( 6, 7) =  .00550
      nexp( 6, 8) = 4; esp( 6, 8) = 1.18954; con( 6, 8) = -.00441
      nexp( 6, 9) = 4; esp( 6, 9) =  .86212; con( 6, 9) =  .00191
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 1; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =12.51630; con( 7, 1) =  .05893
      nexp( 7, 2) = 2; esp( 7, 2) =20.94950; con( 7, 2) =  .00634
      nexp( 7, 3) = 3; esp( 7, 3) =12.15290; con( 7, 3) =  .00969
      nexp( 7, 4) = 3; esp( 7, 4) = 7.64617; con( 7, 4) = -.06858
      nexp( 7, 5) = 3; esp( 7, 5) = 4.93738; con( 7, 5) = -.12982
      nexp( 7, 6) = 4; esp( 7, 6) = 3.55119; con( 7, 6) =  .02852
      nexp( 7, 7) = 4; esp( 7, 7) = 1.98803; con( 7, 7) =  .39484
      nexp( 7, 8) = 4; esp( 7, 8) = 1.18954; con( 7, 8) =  .46618
      nexp( 7, 9) = 4; esp( 7, 9) =  .86212; con( 7, 9) =  .24077
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) = 3.49966; con( 8, 1) =  .42542
      nexp( 8, 2) = 3; esp( 8, 2) = 2.08524; con( 8, 2) =  .14613
      nexp( 8, 3) = 3; esp( 8, 3) = 5.57215; con( 8, 3) =  .31824
      nexp( 8, 4) = 3; esp( 8, 4) = 8.17656; con( 8, 4) =  .23367
      nexp( 8, 5) = 3; esp( 8, 5) =14.38050; con( 8, 5) =  .02762
    case(32)
      norb =  8
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =10
      nexp( 1, 1) = 1; esp( 1, 1) =30.02100; con( 1, 1) =  .75815
      nexp( 1, 2) = 1; esp( 1, 2) =36.80580; con( 1, 2) =  .23936
      nexp( 1, 3) = 2; esp( 1, 3) =27.00910; con( 1, 3) =  .00627
      nexp( 1, 4) = 2; esp( 1, 4) =13.79970; con( 1, 4) =  .00058
      nexp( 1, 5) = 3; esp( 1, 5) =12.88370; con( 1, 5) =  .00059
      nexp( 1, 6) = 3; esp( 1, 6) = 7.89859; con( 1, 6) = -.00062
      nexp( 1, 7) = 3; esp( 1, 7) = 5.27181; con( 1, 7) =  .00028
      nexp( 1, 8) = 4; esp( 1, 8) = 2.87538; con( 1, 8) = -.00010
      nexp( 1, 9) = 4; esp( 1, 9) = 1.79597; con( 1, 9) =  .00009
      nexp( 1,10) = 4; esp( 1,10) = 1.29724; con( 1,10) = -.00004
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =10
      nexp( 2, 1) = 1; esp( 2, 1) =30.02100; con( 2, 1) =  .30153
      nexp( 2, 2) = 1; esp( 2, 2) =36.80580; con( 2, 2) =  .02606
      nexp( 2, 3) = 2; esp( 2, 3) =27.00910; con( 2, 3) =  .16087
      nexp( 2, 4) = 2; esp( 2, 4) =13.79970; con( 2, 4) =-1.03666
      nexp( 2, 5) = 3; esp( 2, 5) =12.88370; con( 2, 5) = -.13209
      nexp( 2, 6) = 3; esp( 2, 6) = 7.89859; con( 2, 6) = -.02214
      nexp( 2, 7) = 3; esp( 2, 7) = 5.27181; con( 2, 7) =  .00323
      nexp( 2, 8) = 4; esp( 2, 8) = 2.87538; con( 2, 8) = -.00097
      nexp( 2, 9) = 4; esp( 2, 9) = 1.79597; con( 2, 9) =  .00081
      nexp( 2,10) = 4; esp( 2,10) = 1.29724; con( 2,10) = -.00036
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =10
      nexp( 3, 1) = 1; esp( 3, 1) =30.02100; con( 3, 1) =  .11337
      nexp( 3, 2) = 1; esp( 3, 2) =36.80580; con( 3, 2) =  .01215
      nexp( 3, 3) = 2; esp( 3, 3) =27.00910; con( 3, 3) =  .07053
      nexp( 3, 4) = 2; esp( 3, 4) =13.79970; con( 3, 4) = -.43821
      nexp( 3, 5) = 3; esp( 3, 5) =12.88370; con( 3, 5) = -.24038
      nexp( 3, 6) = 3; esp( 3, 6) = 7.89859; con( 3, 6) =  .49626
      nexp( 3, 7) = 3; esp( 3, 7) = 5.27181; con( 3, 7) =  .72788
      nexp( 3, 8) = 4; esp( 3, 8) = 2.87538; con( 3, 8) =  .01467
      nexp( 3, 9) = 4; esp( 3, 9) = 1.79597; con( 3, 9) = -.00665
      nexp( 3,10) = 4; esp( 3,10) = 1.29724; con( 3,10) =  .00270
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =10
      nexp( 4, 1) = 1; esp( 4, 1) =30.02100; con( 4, 1) = -.03022
      nexp( 4, 2) = 1; esp( 4, 2) =36.80580; con( 4, 2) = -.00226
      nexp( 4, 3) = 2; esp( 4, 3) =27.00910; con( 4, 3) = -.01741
      nexp( 4, 4) = 2; esp( 4, 4) =13.79970; con( 4, 4) =  .11165
      nexp( 4, 5) = 3; esp( 4, 5) =12.88370; con( 4, 5) =  .07481
      nexp( 4, 6) = 3; esp( 4, 6) = 7.89859; con( 4, 6) = -.16000
      nexp( 4, 7) = 3; esp( 4, 7) = 5.27181; con( 4, 7) = -.21325
      nexp( 4, 8) = 4; esp( 4, 8) = 2.87538; con( 4, 8) =  .46131
      nexp( 4, 9) = 4; esp( 4, 9) = 1.79597; con( 4, 9) =  .53115
      nexp( 4,10) = 4; esp( 4,10) = 1.29724; con( 4,10) =  .13401
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 9
      nexp( 5, 1) = 2; esp( 5, 1) =13.35370; con( 5, 1) =  .86134
      nexp( 5, 2) = 2; esp( 5, 2) =22.09880; con( 5, 2) =  .10385
      nexp( 5, 3) = 3; esp( 5, 3) =12.89370; con( 5, 3) =  .02927
      nexp( 5, 4) = 3; esp( 5, 4) = 8.12507; con( 5, 4) =  .04517
      nexp( 5, 5) = 3; esp( 5, 5) = 5.26670; con( 5, 5) = -.01327
      nexp( 5, 6) = 4; esp( 5, 6) = 3.74374; con( 5, 6) =  .00507
      nexp( 5, 7) = 4; esp( 5, 7) = 2.16483; con( 5, 7) = -.00240
      nexp( 5, 8) = 4; esp( 5, 8) = 1.27537; con( 5, 8) =  .00147
      nexp( 5, 9) = 4; esp( 5, 9) =  .88029; con( 5, 9) = -.00063
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =13.35370; con( 6, 1) =  .34590
      nexp( 6, 2) = 2; esp( 6, 2) =22.09880; con( 6, 2) =  .09597
      nexp( 6, 3) = 3; esp( 6, 3) =12.89370; con( 6, 3) =  .07589
      nexp( 6, 4) = 3; esp( 6, 4) = 8.12507; con( 6, 4) = -.33604
      nexp( 6, 5) = 3; esp( 6, 5) = 5.26670; con( 6, 5) = -.74958
      nexp( 6, 6) = 4; esp( 6, 6) = 3.74374; con( 6, 6) = -.08490
      nexp( 6, 7) = 4; esp( 6, 7) = 2.16483; con( 6, 7) =  .00762
      nexp( 6, 8) = 4; esp( 6, 8) = 1.27537; con( 6, 8) = -.00478
      nexp( 6, 9) = 4; esp( 6, 9) =  .88029; con( 6, 9) =  .00190
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 2; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =13.35370; con( 7, 1) =  .06904
      nexp( 7, 2) = 2; esp( 7, 2) =22.09880; con( 7, 2) =  .00684
      nexp( 7, 3) = 3; esp( 7, 3) =12.89370; con( 7, 3) =  .01618
      nexp( 7, 4) = 3; esp( 7, 4) = 8.12507; con( 7, 4) = -.07467
      nexp( 7, 5) = 3; esp( 7, 5) = 5.26670; con( 7, 5) = -.16721
      nexp( 7, 6) = 4; esp( 7, 6) = 3.74374; con( 7, 6) =  .03395
      nexp( 7, 7) = 4; esp( 7, 7) = 2.16483; con( 7, 7) =  .48432
      nexp( 7, 8) = 4; esp( 7, 8) = 1.27537; con( 7, 8) =  .53214
      nexp( 7, 9) = 4; esp( 7, 9) =  .88029; con( 7, 9) =  .07195
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) = 3.82993; con( 8, 1) =  .44017
      nexp( 8, 2) = 3; esp( 8, 2) = 2.34719; con( 8, 2) =  .12938
      nexp( 8, 3) = 3; esp( 8, 3) = 6.11651; con( 8, 3) =  .33840
      nexp( 8, 4) = 3; esp( 8, 4) = 8.86174; con( 8, 4) =  .20172
      nexp( 8, 5) = 3; esp( 8, 5) =14.92730; con( 8, 5) =  .02653
    case(33)
      norb =  8
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =10
      nexp( 1, 1) = 1; esp( 1, 1) =31.34600; con( 1, 1) =  .80944
      nexp( 1, 2) = 1; esp( 1, 2) =38.60770; con( 1, 2) =  .18590
      nexp( 1, 3) = 2; esp( 1, 3) =26.26730; con( 1, 3) =  .00949
      nexp( 1, 4) = 2; esp( 1, 4) =14.94890; con( 1, 4) = -.00069
      nexp( 1, 5) = 3; esp( 1, 5) =13.45360; con( 1, 5) =  .00121
      nexp( 1, 6) = 3; esp( 1, 6) = 8.13994; con( 1, 6) = -.00083
      nexp( 1, 7) = 3; esp( 1, 7) = 5.53193; con( 1, 7) =  .00039
      nexp( 1, 8) = 4; esp( 1, 8) = 3.14867; con( 1, 8) = -.00014
      nexp( 1, 9) = 4; esp( 1, 9) = 2.01557; con( 1, 9) =  .00012
      nexp( 1,10) = 4; esp( 1,10) = 1.42236; con( 1,10) = -.00005
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =10
      nexp( 2, 1) = 1; esp( 2, 1) =31.34600; con( 2, 1) =  .35297
      nexp( 2, 2) = 1; esp( 2, 2) =38.60770; con( 2, 2) = -.01548
      nexp( 2, 3) = 2; esp( 2, 3) =26.26730; con( 2, 3) =  .18189
      nexp( 2, 4) = 2; esp( 2, 4) =14.94890; con( 2, 4) = -.98989
      nexp( 2, 5) = 3; esp( 2, 5) =13.45360; con( 2, 5) = -.22138
      nexp( 2, 6) = 3; esp( 2, 6) = 8.13994; con( 2, 6) = -.01725
      nexp( 2, 7) = 3; esp( 2, 7) = 5.53193; con( 2, 7) =  .00209
      nexp( 2, 8) = 4; esp( 2, 8) = 3.14867; con( 2, 8) = -.00065
      nexp( 2, 9) = 4; esp( 2, 9) = 2.01557; con( 2, 9) =  .00050
      nexp( 2,10) = 4; esp( 2,10) = 1.42236; con( 2,10) = -.00020
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =10
      nexp( 3, 1) = 1; esp( 3, 1) =31.34600; con( 3, 1) = -.13676
      nexp( 3, 2) = 1; esp( 3, 2) =38.60770; con( 3, 2) =  .00550
      nexp( 3, 3) = 2; esp( 3, 3) =26.26730; con( 3, 3) = -.08033
      nexp( 3, 4) = 2; esp( 3, 4) =14.94890; con( 3, 4) =  .42323
      nexp( 3, 5) = 3; esp( 3, 5) =13.45360; con( 3, 5) =  .27579
      nexp( 3, 6) = 3; esp( 3, 6) = 8.13994; con( 3, 6) = -.49356
      nexp( 3, 7) = 3; esp( 3, 7) = 5.53193; con( 3, 7) = -.72763
      nexp( 3, 8) = 4; esp( 3, 8) = 3.14867; con( 3, 8) = -.01353
      nexp( 3, 9) = 4; esp( 3, 9) = 2.01557; con( 3, 9) =  .00483
      nexp( 3,10) = 4; esp( 3,10) = 1.42236; con( 3,10) = -.00178
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =10
      nexp( 4, 1) = 1; esp( 4, 1) =31.34600; con( 4, 1) = -.03678
      nexp( 4, 2) = 1; esp( 4, 2) =38.60770; con( 4, 2) =  .00086
      nexp( 4, 3) = 2; esp( 4, 3) =26.26730; con( 4, 3) = -.02303
      nexp( 4, 4) = 2; esp( 4, 4) =14.94890; con( 4, 4) =  .11843
      nexp( 4, 5) = 3; esp( 4, 5) =13.45360; con( 4, 5) =  .08597
      nexp( 4, 6) = 3; esp( 4, 6) = 8.13994; con( 4, 6) = -.16171
      nexp( 4, 7) = 3; esp( 4, 7) = 5.53193; con( 4, 7) = -.24575
      nexp( 4, 8) = 4; esp( 4, 8) = 3.14867; con( 4, 8) =  .45102
      nexp( 4, 9) = 4; esp( 4, 9) = 2.01557; con( 4, 9) =  .54525
      nexp( 4,10) = 4; esp( 4,10) = 1.42236; con( 4,10) =  .13765
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 9
      nexp( 5, 1) = 2; esp( 5, 1) =14.05460; con( 5, 1) =  .83284
      nexp( 5, 2) = 2; esp( 5, 2) =22.78430; con( 5, 2) =  .10192
      nexp( 5, 3) = 3; esp( 5, 3) =13.52830; con( 5, 3) =  .06278
      nexp( 5, 4) = 3; esp( 5, 4) = 8.37724; con( 5, 4) =  .04654
      nexp( 5, 5) = 3; esp( 5, 5) = 5.57821; con( 5, 5) = -.01655
      nexp( 5, 6) = 4; esp( 5, 6) = 4.34244; con( 5, 6) =  .00612
      nexp( 5, 7) = 4; esp( 5, 7) = 2.42567; con( 5, 7) = -.00205
      nexp( 5, 8) = 4; esp( 5, 8) = 1.45140; con( 5, 8) =  .00109
      nexp( 5, 9) = 4; esp( 5, 9) =  .91898; con( 5, 9) = -.00039
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =14.05460; con( 6, 1) =  .33887
      nexp( 6, 2) = 2; esp( 6, 2) =22.78430; con( 6, 2) =  .03589
      nexp( 6, 3) = 3; esp( 6, 3) =13.52830; con( 6, 3) =  .08838
      nexp( 6, 4) = 3; esp( 6, 4) = 8.37724; con( 6, 4) = -.33676
      nexp( 6, 5) = 3; esp( 6, 5) = 5.57821; con( 6, 5) = -.73040
      nexp( 6, 6) = 4; esp( 6, 6) = 4.34244; con( 6, 6) = -.09452
      nexp( 6, 7) = 4; esp( 6, 7) = 2.42567; con( 6, 7) = -.00136
      nexp( 6, 8) = 4; esp( 6, 8) = 1.45140; con( 6, 8) = -.00010
      nexp( 6, 9) = 4; esp( 6, 9) =  .91898; con( 6, 9) =  .00004
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 3; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =14.05460; con( 7, 1) =  .07735
      nexp( 7, 2) = 2; esp( 7, 2) =22.78430; con( 7, 2) =  .00736
      nexp( 7, 3) = 3; esp( 7, 3) =13.52830; con( 7, 3) =  .01932
      nexp( 7, 4) = 3; esp( 7, 4) = 8.37724; con( 7, 4) = -.08004
      nexp( 7, 5) = 3; esp( 7, 5) = 5.57821; con( 7, 5) = -.19430
      nexp( 7, 6) = 4; esp( 7, 6) = 4.34244; con( 7, 6) =  .02331
      nexp( 7, 7) = 4; esp( 7, 7) = 2.42567; con( 7, 7) =  .50866
      nexp( 7, 8) = 4; esp( 7, 8) = 1.45140; con( 7, 8) =  .53655
      nexp( 7, 9) = 4; esp( 7, 9) =  .91898; con( 7, 9) =  .05044
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) = 4.15670; con( 8, 1) =  .44874
      nexp( 8, 2) = 3; esp( 8, 2) = 2.56420; con( 8, 2) =  .11466
      nexp( 8, 3) = 3; esp( 8, 3) = 6.36170; con( 8, 3) =  .30600
      nexp( 8, 4) = 3; esp( 8, 4) = 9.09175; con( 8, 4) =  .22855
      nexp( 8, 5) = 3; esp( 8, 5) =15.54610; con( 8, 5) =  .02710
    case(34)
      norb =  8
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =10
      nexp( 1, 1) = 1; esp( 1, 1) =32.00980; con( 1, 1) =  .84307
      nexp( 1, 2) = 1; esp( 1, 2) =40.79540; con( 1, 2) =  .16359
      nexp( 1, 3) = 2; esp( 1, 3) =27.17130; con( 1, 3) = -.00790
      nexp( 1, 4) = 2; esp( 1, 4) =15.13520; con( 1, 4) =  .00666
      nexp( 1, 5) = 3; esp( 1, 5) =13.62030; con( 1, 5) = -.00349
      nexp( 1, 6) = 3; esp( 1, 6) = 8.41955; con( 1, 6) =  .00127
      nexp( 1, 7) = 3; esp( 1, 7) = 5.75207; con( 1, 7) = -.00060
      nexp( 1, 8) = 4; esp( 1, 8) = 3.33167; con( 1, 8) =  .00018
      nexp( 1, 9) = 4; esp( 1, 9) = 2.19374; con( 1, 9) = -.00013
      nexp( 1,10) = 4; esp( 1,10) = 1.45697; con( 1,10) =  .00005
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =10
      nexp( 2, 1) = 1; esp( 2, 1) =32.00980; con( 2, 1) =  .34872
      nexp( 2, 2) = 1; esp( 2, 2) =40.79540; con( 2, 2) = -.00786
      nexp( 2, 3) = 2; esp( 2, 3) =27.17130; con( 2, 3) =  .17658
      nexp( 2, 4) = 2; esp( 2, 4) =15.13520; con( 2, 4) =-1.03246
      nexp( 2, 5) = 3; esp( 2, 5) =13.62030; con( 2, 5) = -.17253
      nexp( 2, 6) = 3; esp( 2, 6) = 8.41955; con( 2, 6) = -.01678
      nexp( 2, 7) = 3; esp( 2, 7) = 5.75207; con( 2, 7) =  .00228
      nexp( 2, 8) = 4; esp( 2, 8) = 3.33167; con( 2, 8) = -.00069
      nexp( 2, 9) = 4; esp( 2, 9) = 2.19374; con( 2, 9) =  .00050
      nexp( 2,10) = 4; esp( 2,10) = 1.45697; con( 2,10) = -.00016
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =10
      nexp( 3, 1) = 1; esp( 3, 1) =32.00980; con( 3, 1) = -.13350
      nexp( 3, 2) = 1; esp( 3, 2) =40.79540; con( 3, 2) =  .00048
      nexp( 3, 3) = 2; esp( 3, 3) =27.17130; con( 3, 3) = -.08308
      nexp( 3, 4) = 2; esp( 3, 4) =15.13520; con( 3, 4) =  .45513
      nexp( 3, 5) = 3; esp( 3, 5) =13.62030; con( 3, 5) =  .26080
      nexp( 3, 6) = 3; esp( 3, 6) = 8.41955; con( 3, 6) = -.51814
      nexp( 3, 7) = 3; esp( 3, 7) = 5.75207; con( 3, 7) = -.71665
      nexp( 3, 8) = 4; esp( 3, 8) = 3.33167; con( 3, 8) = -.00820
      nexp( 3, 9) = 4; esp( 3, 9) = 2.19374; con( 3, 9) =  .00114
      nexp( 3,10) = 4; esp( 3,10) = 1.45697; con( 3,10) = -.00034
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =10
      nexp( 4, 1) = 1; esp( 4, 1) =32.00980; con( 4, 1) = -.03934
      nexp( 4, 2) = 1; esp( 4, 2) =40.79540; con( 4, 2) =  .00037
      nexp( 4, 3) = 2; esp( 4, 3) =27.17130; con( 4, 3) = -.02419
      nexp( 4, 4) = 2; esp( 4, 4) =15.13520; con( 4, 4) =  .13351
      nexp( 4, 5) = 3; esp( 4, 5) =13.62030; con( 4, 5) =  .09050
      nexp( 4, 6) = 3; esp( 4, 6) = 8.41955; con( 4, 6) = -.18446
      nexp( 4, 7) = 3; esp( 4, 7) = 5.75207; con( 4, 7) = -.25805
      nexp( 4, 8) = 4; esp( 4, 8) = 3.33167; con( 4, 8) =  .47154
      nexp( 4, 9) = 4; esp( 4, 9) = 2.19374; con( 4, 9) =  .54954
      nexp( 4,10) = 4; esp( 4,10) = 1.45697; con( 4,10) =  .11764
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 9
      nexp( 5, 1) = 2; esp( 5, 1) =14.75700; con( 5, 1) =  .80693
      nexp( 5, 2) = 2; esp( 5, 2) =23.48300; con( 5, 2) =  .10012
      nexp( 5, 3) = 3; esp( 5, 3) =14.16660; con( 5, 3) =  .09287
      nexp( 5, 4) = 3; esp( 5, 4) = 8.69278; con( 5, 4) =  .04670
      nexp( 5, 5) = 3; esp( 5, 5) = 5.83188; con( 5, 5) = -.01717
      nexp( 5, 6) = 4; esp( 5, 6) = 4.54856; con( 5, 6) =  .00658
      nexp( 5, 7) = 4; esp( 5, 7) = 2.59061; con( 5, 7) = -.00276
      nexp( 5, 8) = 4; esp( 5, 8) = 1.63458; con( 5, 8) =  .00213
      nexp( 5, 9) = 4; esp( 5, 9) = 1.25528; con( 5, 9) = -.00101
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =14.75700; con( 6, 1) =  .33247
      nexp( 6, 2) = 2; esp( 6, 2) =23.48300; con( 6, 2) =  .03580
      nexp( 6, 3) = 3; esp( 6, 3) =14.16660; con( 6, 3) =  .10108
      nexp( 6, 4) = 3; esp( 6, 4) = 8.69278; con( 6, 4) = -.33254
      nexp( 6, 5) = 3; esp( 6, 5) = 5.83188; con( 6, 5) = -.74258
      nexp( 6, 6) = 4; esp( 6, 6) = 4.54856; con( 6, 6) = -.08364
      nexp( 6, 7) = 4; esp( 6, 7) = 2.59061; con( 6, 7) = -.00162
      nexp( 6, 8) = 4; esp( 6, 8) = 1.63458; con( 6, 8) = -.00034
      nexp( 6, 9) = 4; esp( 6, 9) = 1.25528; con( 6, 9) = -.00007
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 4; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =14.75700; con( 7, 1) =  .08386
      nexp( 7, 2) = 2; esp( 7, 2) =23.48300; con( 7, 2) =  .00743
      nexp( 7, 3) = 3; esp( 7, 3) =14.16660; con( 7, 3) =  .02171
      nexp( 7, 4) = 3; esp( 7, 4) = 8.69278; con( 7, 4) = -.07972
      nexp( 7, 5) = 3; esp( 7, 5) = 5.83188; con( 7, 5) = -.22666
      nexp( 7, 6) = 4; esp( 7, 6) = 4.54856; con( 7, 6) =  .04165
      nexp( 7, 7) = 4; esp( 7, 7) = 2.59061; con( 7, 7) =  .54173
      nexp( 7, 8) = 4; esp( 7, 8) = 1.63458; con( 7, 8) =  .36695
      nexp( 7, 9) = 4; esp( 7, 9) = 1.25528; con( 7, 9) =  .18340
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) = 4.59417; con( 8, 1) =  .15501
      nexp( 8, 2) = 3; esp( 8, 2) = 2.84235; con( 8, 2) =  .14364
      nexp( 8, 3) = 3; esp( 8, 3) = 5.27029; con( 8, 3) =  .48035
      nexp( 8, 4) = 3; esp( 8, 4) = 9.42659; con( 8, 4) =  .32562
      nexp( 8, 5) = 3; esp( 8, 5) =19.54570; con( 8, 5) =  .01261
    case(35)
      norb =  8
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =10
      nexp( 1, 1) = 1; esp( 1, 1) =32.58640; con( 1, 1) =  .81095
      nexp( 1, 2) = 1; esp( 1, 2) =41.35570; con( 1, 2) =  .20011
      nexp( 1, 3) = 2; esp( 1, 3) =26.53420; con( 1, 3) = -.01554
      nexp( 1, 4) = 2; esp( 1, 4) =15.87920; con( 1, 4) =  .01020
      nexp( 1, 5) = 3; esp( 1, 5) =13.79510; con( 1, 5) = -.00540
      nexp( 1, 6) = 3; esp( 1, 6) = 8.78775; con( 1, 6) =  .00246
      nexp( 1, 7) = 3; esp( 1, 7) = 6.01958; con( 1, 7) = -.00115
      nexp( 1, 8) = 4; esp( 1, 8) = 3.65032; con( 1, 8) =  .00037
      nexp( 1, 9) = 4; esp( 1, 9) = 2.39212; con( 1, 9) = -.00025
      nexp( 1,10) = 4; esp( 1,10) = 1.63837; con( 1,10) =  .00009
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =10
      nexp( 2, 1) = 1; esp( 2, 1) =32.58640; con( 2, 1) =  .37448
      nexp( 2, 2) = 1; esp( 2, 2) =41.35570; con( 2, 2) = -.02121
      nexp( 2, 3) = 2; esp( 2, 3) =26.53420; con( 2, 3) =  .19595
      nexp( 2, 4) = 2; esp( 2, 4) =15.87920; con( 2, 4) =-1.05505
      nexp( 2, 5) = 3; esp( 2, 5) =13.79510; con( 2, 5) = -.18909
      nexp( 2, 6) = 3; esp( 2, 6) = 8.78775; con( 2, 6) = -.00887
      nexp( 2, 7) = 3; esp( 2, 7) = 6.01958; con( 2, 7) = -.00028
      nexp( 2, 8) = 4; esp( 2, 8) = 3.65032; con( 2, 8) = -.00002
      nexp( 2, 9) = 4; esp( 2, 9) = 2.39212; con( 2, 9) =  .00005
      nexp( 2,10) = 4; esp( 2,10) = 1.63837; con( 2,10) = -.00001
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =10
      nexp( 3, 1) = 1; esp( 3, 1) =32.58640; con( 3, 1) = -.14513
      nexp( 3, 2) = 1; esp( 3, 2) =41.35570; con( 3, 2) =  .00582
      nexp( 3, 3) = 2; esp( 3, 3) =26.53420; con( 3, 3) = -.09653
      nexp( 3, 4) = 2; esp( 3, 4) =15.87920; con( 3, 4) =  .47805
      nexp( 3, 5) = 3; esp( 3, 5) =13.79510; con( 3, 5) =  .27859
      nexp( 3, 6) = 3; esp( 3, 6) = 8.78775; con( 3, 6) = -.52656
      nexp( 3, 7) = 3; esp( 3, 7) = 6.01958; con( 3, 7) = -.72544
      nexp( 3, 8) = 4; esp( 3, 8) = 3.65032; con( 3, 8) = -.00594
      nexp( 3, 9) = 4; esp( 3, 9) = 2.39212; con( 3, 9) = -.00099
      nexp( 3,10) = 4; esp( 3,10) = 1.63837; con( 3,10) =  .00027
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =10
      nexp( 4, 1) = 1; esp( 4, 1) =32.58640; con( 4, 1) = -.04178
      nexp( 4, 2) = 1; esp( 4, 2) =41.35570; con( 4, 2) = -.00013
      nexp( 4, 3) = 2; esp( 4, 3) =26.53420; con( 4, 3) = -.03333
      nexp( 4, 4) = 2; esp( 4, 4) =15.87920; con( 4, 4) =  .15368
      nexp( 4, 5) = 3; esp( 4, 5) =13.79510; con( 4, 5) =  .09132
      nexp( 4, 6) = 3; esp( 4, 6) = 8.78775; con( 4, 6) = -.17533
      nexp( 4, 7) = 3; esp( 4, 7) = 6.01958; con( 4, 7) = -.30447
      nexp( 4, 8) = 4; esp( 4, 8) = 3.65032; con( 4, 8) =  .46075
      nexp( 4, 9) = 4; esp( 4, 9) = 2.39212; con( 4, 9) =  .56685
      nexp( 4,10) = 4; esp( 4,10) = 1.63837; con( 4,10) =  .12548
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 9
      nexp( 5, 1) = 2; esp( 5, 1) =15.81260; con( 5, 1) =  .74854
      nexp( 5, 2) = 2; esp( 5, 2) =24.12670; con( 5, 2) =  .09604
      nexp( 5, 3) = 3; esp( 5, 3) =14.74150; con( 5, 3) =  .16709
      nexp( 5, 4) = 3; esp( 5, 4) = 8.64224; con( 5, 4) =  .04123
      nexp( 5, 5) = 3; esp( 5, 5) = 5.90145; con( 5, 5) = -.01974
      nexp( 5, 6) = 4; esp( 5, 6) = 5.18209; con( 5, 6) =  .00780
      nexp( 5, 7) = 4; esp( 5, 7) = 2.82688; con( 5, 7) = -.00154
      nexp( 5, 8) = 4; esp( 5, 8) = 1.70190; con( 5, 8) =  .00090
      nexp( 5, 9) = 4; esp( 5, 9) = 1.21513; con( 5, 9) = -.00039
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =15.81260; con( 6, 1) =  .31389
      nexp( 6, 2) = 2; esp( 6, 2) =24.12670; con( 6, 2) =  .03407
      nexp( 6, 3) = 3; esp( 6, 3) =14.74150; con( 6, 3) =  .12804
      nexp( 6, 4) = 3; esp( 6, 4) = 8.64224; con( 6, 4) = -.41337
      nexp( 6, 5) = 3; esp( 6, 5) = 5.90145; con( 6, 5) = -.66876
      nexp( 6, 6) = 4; esp( 6, 6) = 5.18209; con( 6, 6) = -.06708
      nexp( 6, 7) = 4; esp( 6, 7) = 2.82688; con( 6, 7) = -.01083
      nexp( 6, 8) = 4; esp( 6, 8) = 1.70190; con( 6, 8) =  .00362
      nexp( 6, 9) = 4; esp( 6, 9) = 1.21513; con( 6, 9) = -.00184
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 5; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =15.81260; con( 7, 1) =  .08539
      nexp( 7, 2) = 2; esp( 7, 2) =24.12670; con( 7, 2) =  .00721
      nexp( 7, 3) = 3; esp( 7, 3) =14.74150; con( 7, 3) =  .02963
      nexp( 7, 4) = 3; esp( 7, 4) = 8.64224; con( 7, 4) = -.10120
      nexp( 7, 5) = 3; esp( 7, 5) = 5.90145; con( 7, 5) = -.24356
      nexp( 7, 6) = 4; esp( 7, 6) = 5.18209; con( 7, 6) =  .05048
      nexp( 7, 7) = 4; esp( 7, 7) = 2.82688; con( 7, 7) =  .56500
      nexp( 7, 8) = 4; esp( 7, 8) = 1.70190; con( 7, 8) =  .45389
      nexp( 7, 9) = 4; esp( 7, 9) = 1.21513; con( 7, 9) =  .08536
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) = 4.81505; con( 8, 1) =  .47817
      nexp( 8, 2) = 3; esp( 8, 2) = 3.01772; con( 8, 2) =  .09572
      nexp( 8, 3) = 3; esp( 8, 3) = 7.36217; con( 8, 3) =  .31609
      nexp( 8, 4) = 3; esp( 8, 4) =10.19710; con( 8, 4) =  .19151
      nexp( 8, 5) = 3; esp( 8, 5) =16.62740; con( 8, 5) =  .02657
    case(36)
      norb =  8
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =10
      nexp( 1, 1) = 1; esp( 1, 1) =32.83510; con( 1, 1) =  .71521
      nexp( 1, 2) = 1; esp( 1, 2) =40.94470; con( 1, 2) =  .29911
      nexp( 1, 3) = 2; esp( 1, 3) =27.45800; con( 1, 3) = -.01854
      nexp( 1, 4) = 2; esp( 1, 4) =16.06660; con( 1, 4) =  .00897
      nexp( 1, 5) = 3; esp( 1, 5) =14.29620; con( 1, 5) = -.00464
      nexp( 1, 6) = 3; esp( 1, 6) = 9.10937; con( 1, 6) =  .00190
      nexp( 1, 7) = 3; esp( 1, 7) = 6.37181; con( 1, 7) = -.00088
      nexp( 1, 8) = 4; esp( 1, 8) = 3.84546; con( 1, 8) =  .00026
      nexp( 1, 9) = 4; esp( 1, 9) = 2.57902; con( 1, 9) = -.00018
      nexp( 1,10) = 4; esp( 1,10) = 1.77192; con( 1,10) =  .00006
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =10
      nexp( 2, 1) = 1; esp( 2, 1) =32.83510; con( 2, 1) =  .38139
      nexp( 2, 2) = 1; esp( 2, 2) =40.94470; con( 2, 2) = -.01823
      nexp( 2, 3) = 2; esp( 2, 3) =27.45800; con( 2, 3) =  .17175
      nexp( 2, 4) = 2; esp( 2, 4) =16.06660; con( 2, 4) =-1.07160
      nexp( 2, 5) = 3; esp( 2, 5) =14.29620; con( 2, 5) = -.14913
      nexp( 2, 6) = 3; esp( 2, 6) = 9.10937; con( 2, 6) = -.01920
      nexp( 2, 7) = 3; esp( 2, 7) = 6.37181; con( 2, 7) =  .00401
      nexp( 2, 8) = 4; esp( 2, 8) = 3.84546; con( 2, 8) = -.00122
      nexp( 2, 9) = 4; esp( 2, 9) = 2.57902; con( 2, 9) =  .00092
      nexp( 2,10) = 4; esp( 2,10) = 1.77192; con( 2,10) = -.00031
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =10
      nexp( 3, 1) = 1; esp( 3, 1) =32.83510; con( 3, 1) = -.14543
      nexp( 3, 2) = 1; esp( 3, 2) =40.94470; con( 3, 2) =  .00181
      nexp( 3, 3) = 2; esp( 3, 3) =27.45800; con( 3, 3) = -.09037
      nexp( 3, 4) = 2; esp( 3, 4) =16.06660; con( 3, 4) =  .49528
      nexp( 3, 5) = 3; esp( 3, 5) =14.29620; con( 3, 5) =  .25451
      nexp( 3, 6) = 3; esp( 3, 6) = 9.10937; con( 3, 6) = -.48504
      nexp( 3, 7) = 3; esp( 3, 7) = 6.37181; con( 3, 7) = -.75593
      nexp( 3, 8) = 4; esp( 3, 8) = 3.84546; con( 3, 8) = -.01203
      nexp( 3, 9) = 4; esp( 3, 9) = 2.57902; con( 3, 9) =  .00218
      nexp( 3,10) = 4; esp( 3,10) = 1.77192; con( 3,10) = -.00085
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =10
      nexp( 4, 1) = 1; esp( 4, 1) =32.83510; con( 4, 1) = -.04349
      nexp( 4, 2) = 1; esp( 4, 2) =40.94470; con( 4, 2) = -.00148
      nexp( 4, 3) = 2; esp( 4, 3) =27.45800; con( 4, 3) = -.03219
      nexp( 4, 4) = 2; esp( 4, 4) =16.06660; con( 4, 4) =  .16451
      nexp( 4, 5) = 3; esp( 4, 5) =14.29620; con( 4, 5) =  .08852
      nexp( 4, 6) = 3; esp( 4, 6) = 9.10937; con( 4, 6) = -.16671
      nexp( 4, 7) = 3; esp( 4, 7) = 6.37181; con( 4, 7) = -.33291
      nexp( 4, 8) = 4; esp( 4, 8) = 3.84546; con( 4, 8) =  .46913
      nexp( 4, 9) = 4; esp( 4, 9) = 2.57902; con( 4, 9) =  .55106
      nexp( 4,10) = 4; esp( 4,10) = 1.77192; con( 4,10) =  .13572
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 9
      nexp( 5, 1) = 2; esp( 5, 1) =17.03660; con( 5, 1) =  .72322
      nexp( 5, 2) = 2; esp( 5, 2) =26.04380; con( 5, 2) =  .06774
      nexp( 5, 3) = 3; esp( 5, 3) =15.51000; con( 5, 3) =  .22056
      nexp( 5, 4) = 3; esp( 5, 4) = 9.49403; con( 5, 4) =  .04478
      nexp( 5, 5) = 3; esp( 5, 5) = 6.57275; con( 5, 5) = -.01672
      nexp( 5, 6) = 4; esp( 5, 6) = 5.38507; con( 5, 6) =  .00609
      nexp( 5, 7) = 4; esp( 5, 7) = 3.15603; con( 5, 7) = -.00195
      nexp( 5, 8) = 4; esp( 5, 8) = 2.02966; con( 5, 8) =  .00111
      nexp( 5, 9) = 4; esp( 5, 9) = 1.42733; con( 5, 9) = -.00040
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =17.03660; con( 6, 1) =  .30185
      nexp( 6, 2) = 2; esp( 6, 2) =26.04380; con( 6, 2) =  .02508
      nexp( 6, 3) = 3; esp( 6, 3) =15.51000; con( 6, 3) =  .15903
      nexp( 6, 4) = 3; esp( 6, 4) = 9.49403; con( 6, 4) = -.28475
      nexp( 6, 5) = 3; esp( 6, 5) = 6.57275; con( 6, 5) = -.76440
      nexp( 6, 6) = 4; esp( 6, 6) = 5.38507; con( 6, 6) = -.10670
      nexp( 6, 7) = 4; esp( 6, 7) = 3.15603; con( 6, 7) = -.00562
      nexp( 6, 8) = 4; esp( 6, 8) = 2.02966; con( 6, 8) =  .00137
      nexp( 6, 9) = 4; esp( 6, 9) = 1.42733; con( 6, 9) = -.00053
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =17.03660; con( 7, 1) =  .08488
      nexp( 7, 2) = 2; esp( 7, 2) =26.04380; con( 7, 2) =  .00571
      nexp( 7, 3) = 3; esp( 7, 3) =15.51000; con( 7, 3) =  .04169
      nexp( 7, 4) = 3; esp( 7, 4) = 9.49403; con( 7, 4) = -.07425
      nexp( 7, 5) = 3; esp( 7, 5) = 6.57275; con( 7, 5) = -.26866
      nexp( 7, 6) = 4; esp( 7, 6) = 5.38507; con( 7, 6) =  .01341
      nexp( 7, 7) = 4; esp( 7, 7) = 3.15603; con( 7, 7) =  .51241
      nexp( 7, 8) = 4; esp( 7, 8) = 2.02966; con( 7, 8) =  .42557
      nexp( 7, 9) = 4; esp( 7, 9) = 1.42733; con( 7, 9) =  .18141
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) = 5.30650; con( 8, 1) =  .50854
      nexp( 8, 2) = 3; esp( 8, 2) = 3.36240; con( 8, 2) =  .11070
      nexp( 8, 3) = 3; esp( 8, 3) = 7.94963; con( 8, 3) =  .24778
      nexp( 8, 4) = 3; esp( 8, 4) =10.35430; con( 8, 4) =  .20584
      nexp( 8, 5) = 3; esp( 8, 5) =17.11420; con( 8, 5) =  .02863
    case(37)
      norb =  9
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =38.05890; con( 1, 1) =  .84819
      nexp( 1, 2) = 1; esp( 1, 2) =26.17890; con( 1, 2) =  .16950
      nexp( 1, 3) = 2; esp( 1, 3) =17.87590; con( 1, 3) = -.05364
      nexp( 1, 4) = 2; esp( 1, 4) =15.13760; con( 1, 4) =  .03990
      nexp( 1, 5) = 3; esp( 1, 5) = 9.32726; con( 1, 5) = -.00642
      nexp( 1, 6) = 3; esp( 1, 6) = 6.80548; con( 1, 6) =  .00366
      nexp( 1, 7) = 4; esp( 1, 7) = 3.91418; con( 1, 7) = -.00114
      nexp( 1, 8) = 4; esp( 1, 8) = 2.58977; con( 1, 8) =  .00087
      nexp( 1, 9) = 5; esp( 1, 9) = 1.88043; con( 1, 9) = -.00043
      nexp( 1,10) = 5; esp( 1,10) = 1.15468; con( 1,10) =  .00021
      nexp( 1,11) = 5; esp( 1,11) =  .74153; con( 1,11) = -.00008
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =38.05890; con( 2, 1) =  .03144
      nexp( 2, 2) = 1; esp( 2, 2) =26.17890; con( 2, 2) =  .46742
      nexp( 2, 3) = 2; esp( 2, 3) =17.87590; con( 2, 3) = -.21527
      nexp( 2, 4) = 2; esp( 2, 4) =15.13760; con( 2, 4) = -.96951
      nexp( 2, 5) = 3; esp( 2, 5) = 9.32726; con( 2, 5) = -.03122
      nexp( 2, 6) = 3; esp( 2, 6) = 6.80548; con( 2, 6) =  .00888
      nexp( 2, 7) = 4; esp( 2, 7) = 3.91418; con( 2, 7) = -.00192
      nexp( 2, 8) = 4; esp( 2, 8) = 2.58977; con( 2, 8) =  .00141
      nexp( 2, 9) = 5; esp( 2, 9) = 1.88043; con( 2, 9) = -.00065
      nexp( 2,10) = 5; esp( 2,10) = 1.15468; con( 2,10) =  .00031
      nexp( 2,11) = 5; esp( 2,11) =  .74153; con( 2,11) = -.00011
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =38.05890; con( 3, 1) = -.00977
      nexp( 3, 2) = 1; esp( 3, 2) =26.17890; con( 3, 2) = -.19461
      nexp( 3, 3) = 2; esp( 3, 3) =17.87590; con( 3, 3) = -.24622
      nexp( 3, 4) = 2; esp( 3, 4) =15.13760; con( 3, 4) =  .91735
      nexp( 3, 5) = 3; esp( 3, 5) = 9.32726; con( 3, 5) = -.37076
      nexp( 3, 6) = 3; esp( 3, 6) = 6.80548; con( 3, 6) = -.82244
      nexp( 3, 7) = 4; esp( 3, 7) = 3.91418; con( 3, 7) = -.02077
      nexp( 3, 8) = 4; esp( 3, 8) = 2.58977; con( 3, 8) =  .00720
      nexp( 3, 9) = 5; esp( 3, 9) = 1.88043; con( 3, 9) = -.00302
      nexp( 3,10) = 5; esp( 3,10) = 1.15468; con( 3,10) =  .00130
      nexp( 3,11) = 5; esp( 3,11) =  .74153; con( 3,11) = -.00044
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =38.05890; con( 4, 1) = -.00320
      nexp( 4, 2) = 1; esp( 4, 2) =26.17890; con( 4, 2) = -.06591
      nexp( 4, 3) = 2; esp( 4, 3) =17.87590; con( 4, 3) = -.10599
      nexp( 4, 4) = 2; esp( 4, 4) =15.13760; con( 4, 4) =  .34496
      nexp( 4, 5) = 3; esp( 4, 5) = 9.32726; con( 4, 5) = -.13569
      nexp( 4, 6) = 3; esp( 4, 6) = 6.80548; con( 4, 6) = -.37869
      nexp( 4, 7) = 4; esp( 4, 7) = 3.91418; con( 4, 7) =  .57680
      nexp( 4, 8) = 4; esp( 4, 8) = 2.58977; con( 4, 8) =  .54775
      nexp( 4, 9) = 5; esp( 4, 9) = 1.88043; con( 4, 9) =  .02430
      nexp( 4,10) = 5; esp( 4,10) = 1.15468; con( 4,10) = -.00036
      nexp( 4,11) = 5; esp( 4,11) =  .74153; con( 4,11) =  .00032
      nprin( 5) = 5; nazim( 5) = 0; nconf( 5) = 1; nterm( 5) =11
      nexp( 5, 1) = 1; esp( 5, 1) =38.05890; con( 5, 1) =  .00066
      nexp( 5, 2) = 1; esp( 5, 2) =26.17890; con( 5, 2) =  .01390
      nexp( 5, 3) = 2; esp( 5, 3) =17.87590; con( 5, 3) =  .02262
      nexp( 5, 4) = 2; esp( 5, 4) =15.13760; con( 5, 4) = -.07316
      nexp( 5, 5) = 3; esp( 5, 5) = 9.32726; con( 5, 5) =  .02802
      nexp( 5, 6) = 3; esp( 5, 6) = 6.80548; con( 5, 6) =  .08360
      nexp( 5, 7) = 4; esp( 5, 7) = 3.91418; con( 5, 7) = -.14618
      nexp( 5, 8) = 4; esp( 5, 8) = 2.58977; con( 5, 8) = -.11134
      nexp( 5, 9) = 5; esp( 5, 9) = 1.88043; con( 5, 9) =  .12653
      nexp( 5,10) = 5; esp( 5,10) = 1.15468; con( 5,10) =  .53476
      nexp( 5,11) = 5; esp( 5,11) =  .74153; con( 5,11) =  .46820
      nprin( 6) = 2; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =24.46350; con( 6, 1) = -.13089
      nexp( 6, 2) = 2; esp( 6, 2) =15.28570; con( 6, 2) = -.87175
      nexp( 6, 3) = 3; esp( 6, 3) = 8.24457; con( 6, 3) = -.03211
      nexp( 6, 4) = 3; esp( 6, 4) = 5.69739; con( 6, 4) =  .01381
      nexp( 6, 5) = 4; esp( 6, 5) = 3.64326; con( 6, 5) = -.00454
      nexp( 6, 6) = 4; esp( 6, 6) = 2.33347; con( 6, 6) =  .00282
      nexp( 6, 7) = 4; esp( 6, 7) = 1.56570; con( 6, 7) = -.00100
      nprin( 7) = 3; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =24.46350; con( 7, 1) =  .03396
      nexp( 7, 2) = 2; esp( 7, 2) =15.28570; con( 7, 2) =  .42037
      nexp( 7, 3) = 3; esp( 7, 3) = 8.24457; con( 7, 3) = -.65799
      nexp( 7, 4) = 3; esp( 7, 4) = 5.69739; con( 7, 4) = -.46725
      nexp( 7, 5) = 4; esp( 7, 5) = 3.64326; con( 7, 5) = -.00094
      nexp( 7, 6) = 4; esp( 7, 6) = 2.33347; con( 7, 6) = -.00215
      nexp( 7, 7) = 4; esp( 7, 7) = 1.56570; con( 7, 7) =  .00069
      nprin( 8) = 4; nazim( 8) = 1; nconf( 8) = 6; nterm( 8) = 7
      nexp( 8, 1) = 2; esp( 8, 1) =24.46350; con( 8, 1) =  .00899
      nexp( 8, 2) = 2; esp( 8, 2) =15.28570; con( 8, 2) =  .12897
      nexp( 8, 3) = 3; esp( 8, 3) = 8.24457; con( 8, 3) = -.22816
      nexp( 8, 4) = 3; esp( 8, 4) = 5.69739; con( 8, 4) = -.16836
      nexp( 8, 5) = 4; esp( 8, 5) = 3.64326; con( 8, 5) =  .47521
      nexp( 8, 6) = 4; esp( 8, 6) = 2.33347; con( 8, 6) =  .55302
      nexp( 8, 7) = 4; esp( 8, 7) = 1.56570; con( 8, 7) =  .11614
      nprin( 9) = 3; nazim( 9) = 2; nconf( 9) =10; nterm( 9) = 3
      nexp( 9, 1) = 3; esp( 9, 1) =12.29820; con( 9, 1) =  .21496
      nexp( 9, 2) = 3; esp( 9, 2) = 6.79196; con( 9, 2) =  .64623
      nexp( 9, 3) = 3; esp( 9, 3) = 4.05372; con( 9, 3) =  .23414
    case(38)
      norb =  9
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =39.08880; con( 1, 1) =  .84790
      nexp( 1, 2) = 1; esp( 1, 2) =26.96480; con( 1, 2) =  .16977
      nexp( 1, 3) = 2; esp( 1, 3) =18.30310; con( 1, 3) = -.05879
      nexp( 1, 4) = 2; esp( 1, 4) =15.69910; con( 1, 4) =  .04531
      nexp( 1, 5) = 3; esp( 1, 5) = 9.88651; con( 1, 5) = -.00684
      nexp( 1, 6) = 3; esp( 1, 6) = 7.19156; con( 1, 6) =  .00375
      nexp( 1, 7) = 4; esp( 1, 7) = 4.16674; con( 1, 7) = -.00114
      nexp( 1, 8) = 4; esp( 1, 8) = 2.84586; con( 1, 8) =  .00078
      nexp( 1, 9) = 5; esp( 1, 9) = 1.83155; con( 1, 9) = -.00037
      nexp( 1,10) = 5; esp( 1,10) = 1.20420; con( 1,10) =  .00025
      nexp( 1,11) = 5; esp( 1,11) =  .81729; con( 1,11) = -.00009
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =39.08880; con( 2, 1) =  .02971
      nexp( 2, 2) = 1; esp( 2, 2) =26.96480; con( 2, 2) =  .46986
      nexp( 2, 3) = 2; esp( 2, 3) =18.30310; con( 2, 3) = -.18491
      nexp( 2, 4) = 2; esp( 2, 4) =15.69910; con( 2, 4) = -.99718
      nexp( 2, 5) = 3; esp( 2, 5) = 9.88651; con( 2, 5) = -.03413
      nexp( 2, 6) = 3; esp( 2, 6) = 7.19156; con( 2, 6) =  .00908
      nexp( 2, 7) = 4; esp( 2, 7) = 4.16674; con( 2, 7) = -.00189
      nexp( 2, 8) = 4; esp( 2, 8) = 2.84586; con( 2, 8) =  .00126
      nexp( 2, 9) = 5; esp( 2, 9) = 1.83155; con( 2, 9) = -.00055
      nexp( 2,10) = 5; esp( 2,10) = 1.20420; con( 2,10) =  .00037
      nexp( 2,11) = 5; esp( 2,11) =  .81729; con( 2,11) = -.00014
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =39.08880; con( 3, 1) =  .00938
      nexp( 3, 2) = 1; esp( 3, 2) =26.96480; con( 3, 2) =  .19693
      nexp( 3, 3) = 2; esp( 3, 3) =18.30310; con( 3, 3) =  .30385
      nexp( 3, 4) = 2; esp( 3, 4) =15.69910; con( 3, 4) = -.98235
      nexp( 3, 5) = 3; esp( 3, 5) = 9.88651; con( 3, 5) =  .30498
      nexp( 3, 6) = 3; esp( 3, 6) = 7.19156; con( 3, 6) =  .88822
      nexp( 3, 7) = 4; esp( 3, 7) = 4.16674; con( 3, 7) =  .02426
      nexp( 3, 8) = 4; esp( 3, 8) = 2.84586; con( 3, 8) = -.00773
      nexp( 3, 9) = 5; esp( 3, 9) = 1.83155; con( 3, 9) =  .00289
      nexp( 3,10) = 5; esp( 3,10) = 1.20420; con( 3,10) = -.00180
      nexp( 3,11) = 5; esp( 3,11) =  .81729; con( 3,11) =  .00064
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =39.08880; con( 4, 1) =  .00295
      nexp( 4, 2) = 1; esp( 4, 2) =26.96480; con( 4, 2) =  .07068
      nexp( 4, 3) = 2; esp( 4, 3) =18.30310; con( 4, 3) =  .13168
      nexp( 4, 4) = 2; esp( 4, 4) =15.69910; con( 4, 4) = -.38559
      nexp( 4, 5) = 3; esp( 4, 5) = 9.88651; con( 4, 5) =  .10711
      nexp( 4, 6) = 3; esp( 4, 6) = 7.19156; con( 4, 6) =  .44139
      nexp( 4, 7) = 4; esp( 4, 7) = 4.16674; con( 4, 7) = -.57030
      nexp( 4, 8) = 4; esp( 4, 8) = 2.84586; con( 4, 8) = -.56603
      nexp( 4, 9) = 5; esp( 4, 9) = 1.83155; con( 4, 9) = -.01778
      nexp( 4,10) = 5; esp( 4,10) = 1.20420; con( 4,10) =  .00438
      nexp( 4,11) = 5; esp( 4,11) =  .81729; con( 4,11) = -.00119
      nprin( 5) = 5; nazim( 5) = 0; nconf( 5) = 2; nterm( 5) =11
      nexp( 5, 1) = 1; esp( 5, 1) =39.08880; con( 5, 1) =  .00062
      nexp( 5, 2) = 1; esp( 5, 2) =26.96480; con( 5, 2) =  .01846
      nexp( 5, 3) = 2; esp( 5, 3) =18.30310; con( 5, 3) =  .03309
      nexp( 5, 4) = 2; esp( 5, 4) =15.69910; con( 5, 4) = -.09869
      nexp( 5, 5) = 3; esp( 5, 5) = 9.88651; con( 5, 5) =  .02485
      nexp( 5, 6) = 3; esp( 5, 6) = 7.19156; con( 5, 6) =  .12228
      nexp( 5, 7) = 4; esp( 5, 7) = 4.16674; con( 5, 7) = -.18773
      nexp( 5, 8) = 4; esp( 5, 8) = 2.84586; con( 5, 8) = -.13437
      nexp( 5, 9) = 5; esp( 5, 9) = 1.83155; con( 5, 9) =  .30164
      nexp( 5,10) = 5; esp( 5,10) = 1.20420; con( 5,10) =  .55277
      nexp( 5,11) = 5; esp( 5,11) =  .81729; con( 5,11) =  .28152
      nprin( 6) = 2; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =25.13250; con( 6, 1) = -.12972
      nexp( 6, 2) = 2; esp( 6, 2) =15.76700; con( 6, 2) = -.87247
      nexp( 6, 3) = 3; esp( 6, 3) = 8.48946; con( 6, 3) = -.03347
      nexp( 6, 4) = 3; esp( 6, 4) = 5.91883; con( 6, 4) =  .01577
      nexp( 6, 5) = 4; esp( 6, 5) = 3.96255; con( 6, 5) = -.00568
      nexp( 6, 6) = 4; esp( 6, 6) = 2.64250; con( 6, 6) =  .00338
      nexp( 6, 7) = 4; esp( 6, 7) = 1.77261; con( 6, 7) = -.00107
      nprin( 7) = 3; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =25.13250; con( 7, 1) =  .03329
      nexp( 7, 2) = 2; esp( 7, 2) =15.76700; con( 7, 2) =  .42673
      nexp( 7, 3) = 3; esp( 7, 3) = 8.48946; con( 7, 3) = -.67785
      nexp( 7, 4) = 3; esp( 7, 4) = 5.91883; con( 7, 4) = -.44895
      nexp( 7, 5) = 4; esp( 7, 5) = 3.96255; con( 7, 5) =  .00118
      nexp( 7, 6) = 4; esp( 7, 6) = 2.64250; con( 7, 6) = -.00291
      nexp( 7, 7) = 4; esp( 7, 7) = 1.77261; con( 7, 7) =  .00085
      nprin( 8) = 4; nazim( 8) = 1; nconf( 8) = 6; nterm( 8) = 7
      nexp( 8, 1) = 2; esp( 8, 1) =25.13250; con( 8, 1) =  .00945
      nexp( 8, 2) = 2; esp( 8, 2) =15.76700; con( 8, 2) =  .14075
      nexp( 8, 3) = 3; esp( 8, 3) = 8.48946; con( 8, 3) = -.24994
      nexp( 8, 4) = 3; esp( 8, 4) = 5.91883; con( 8, 4) = -.18689
      nexp( 8, 5) = 4; esp( 8, 5) = 3.96255; con( 8, 5) =  .45397
      nexp( 8, 6) = 4; esp( 8, 6) = 2.64250; con( 8, 6) =  .57921
      nexp( 8, 7) = 4; esp( 8, 7) = 1.77261; con( 8, 7) =  .11558
      nprin( 9) = 3; nazim( 9) = 2; nconf( 9) =10; nterm( 9) = 3
      nexp( 9, 1) = 3; esp( 9, 1) =13.08380; con( 9, 1) =  .19034
      nexp( 9, 2) = 3; esp( 9, 2) = 7.35453; con( 9, 2) =  .62984
      nexp( 9, 3) = 3; esp( 9, 3) = 4.48799; con( 9, 3) =  .26961
    case(39)
      norb = 10
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =40.08530; con( 1, 1) =  .85223
      nexp( 1, 2) = 1; esp( 1, 2) =27.58290; con( 1, 2) =  .16533
      nexp( 1, 3) = 2; esp( 1, 3) =18.66340; con( 1, 3) = -.06231
      nexp( 1, 4) = 2; esp( 1, 4) =16.13290; con( 1, 4) =  .04910
      nexp( 1, 5) = 3; esp( 1, 5) =10.36790; con( 1, 5) = -.00701
      nexp( 1, 6) = 3; esp( 1, 6) = 7.50901; con( 1, 6) =  .00362
      nexp( 1, 7) = 4; esp( 1, 7) = 4.28620; con( 1, 7) = -.00105
      nexp( 1, 8) = 4; esp( 1, 8) = 2.93376; con( 1, 8) =  .00071
      nexp( 1, 9) = 5; esp( 1, 9) = 1.84017; con( 1, 9) = -.00032
      nexp( 1,10) = 5; esp( 1,10) = 1.19254; con( 1,10) =  .00025
      nexp( 1,11) = 5; esp( 1,11) =  .85045; con( 1,11) = -.00011
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =40.08530; con( 2, 1) = -.02986
      nexp( 2, 2) = 1; esp( 2, 2) =27.58290; con( 2, 2) = -.47340
      nexp( 2, 3) = 2; esp( 2, 3) =18.66340; con( 2, 3) =  .21408
      nexp( 2, 4) = 2; esp( 2, 4) =16.13290; con( 2, 4) =  .97072
      nexp( 2, 5) = 3; esp( 2, 5) =10.36790; con( 2, 5) =  .03398
      nexp( 2, 6) = 3; esp( 2, 6) = 7.50901; con( 2, 6) = -.00818
      nexp( 2, 7) = 4; esp( 2, 7) = 4.28620; con( 2, 7) =  .00158
      nexp( 2, 8) = 4; esp( 2, 8) = 2.93376; con( 2, 8) = -.00105
      nexp( 2, 9) = 5; esp( 2, 9) = 1.84017; con( 2, 9) =  .00045
      nexp( 2,10) = 5; esp( 2,10) = 1.19254; con( 2,10) = -.00034
      nexp( 2,11) = 5; esp( 2,11) =  .85045; con( 2,11) =  .00014
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =40.08530; con( 3, 1) = -.00908
      nexp( 3, 2) = 1; esp( 3, 2) =27.58290; con( 3, 2) = -.20077
      nexp( 3, 3) = 2; esp( 3, 3) =18.66340; con( 3, 3) = -.32652
      nexp( 3, 4) = 2; esp( 3, 4) =16.13290; con( 3, 4) = 1.01692
      nexp( 3, 5) = 3; esp( 3, 5) =10.36790; con( 3, 5) = -.27771
      nexp( 3, 6) = 3; esp( 3, 6) = 7.50901; con( 3, 6) = -.92176
      nexp( 3, 7) = 4; esp( 3, 7) = 4.28620; con( 3, 7) = -.02324
      nexp( 3, 8) = 4; esp( 3, 8) = 2.93376; con( 3, 8) =  .00734
      nexp( 3, 9) = 5; esp( 3, 9) = 1.84017; con( 3, 9) = -.00267
      nexp( 3,10) = 5; esp( 3,10) = 1.19254; con( 3,10) =  .00188
      nexp( 3,11) = 5; esp( 3,11) =  .85045; con( 3,11) = -.00076
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =40.08530; con( 4, 1) =  .00319
      nexp( 4, 2) = 1; esp( 4, 2) =27.58290; con( 4, 2) =  .07364
      nexp( 4, 3) = 2; esp( 4, 3) =18.66340; con( 4, 3) =  .14999
      nexp( 4, 4) = 2; esp( 4, 4) =16.13290; con( 4, 4) = -.41658
      nexp( 4, 5) = 3; esp( 4, 5) =10.36790; con( 4, 5) =  .10034
      nexp( 4, 6) = 3; esp( 4, 6) = 7.50901; con( 4, 6) =  .46995
      nexp( 4, 7) = 4; esp( 4, 7) = 4.28620; con( 4, 7) = -.64305
      nexp( 4, 8) = 4; esp( 4, 8) = 2.93376; con( 4, 8) = -.50000
      nexp( 4, 9) = 5; esp( 4, 9) = 1.84017; con( 4, 9) = -.01815
      nexp( 4,10) = 5; esp( 4,10) = 1.19254; con( 4,10) =  .00828
      nexp( 4,11) = 5; esp( 4,11) =  .85045; con( 4,11) = -.00200
      nprin( 5) = 5; nazim( 5) = 0; nconf( 5) = 1; nterm( 5) =11
      nexp( 5, 1) = 1; esp( 5, 1) =40.08530; con( 5, 1) =  .00056
      nexp( 5, 2) = 1; esp( 5, 2) =27.58290; con( 5, 2) =  .01912
      nexp( 5, 3) = 2; esp( 5, 3) =18.66340; con( 5, 3) =  .03566
      nexp( 5, 4) = 2; esp( 5, 4) =16.13290; con( 5, 4) = -.10323
      nexp( 5, 5) = 3; esp( 5, 5) =10.36790; con( 5, 5) =  .02099
      nexp( 5, 6) = 3; esp( 5, 6) = 7.50901; con( 5, 6) =  .13017
      nexp( 5, 7) = 4; esp( 5, 7) = 4.28620; con( 5, 7) = -.21485
      nexp( 5, 8) = 4; esp( 5, 8) = 2.93376; con( 5, 8) = -.09701
      nexp( 5, 9) = 5; esp( 5, 9) = 1.84017; con( 5, 9) =  .35987
      nexp( 5,10) = 5; esp( 5,10) = 1.19254; con( 5,10) =  .53005
      nexp( 5,11) = 5; esp( 5,11) =  .85045; con( 5,11) =  .23643
      nprin( 6) = 2; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =25.72410; con( 6, 1) = -.13098
      nexp( 6, 2) = 2; esp( 6, 2) =16.22790; con( 6, 2) = -.87137
      nexp( 6, 3) = 3; esp( 6, 3) = 8.76281; con( 6, 3) = -.03241
      nexp( 6, 4) = 3; esp( 6, 4) = 6.20312; con( 6, 4) =  .01475
      nexp( 6, 5) = 4; esp( 6, 5) = 4.03822; con( 6, 5) = -.00439
      nexp( 6, 6) = 4; esp( 6, 6) = 2.61826; con( 6, 6) =  .00241
      nexp( 6, 7) = 4; esp( 6, 7) = 1.65639; con( 6, 7) = -.00073
      nprin( 7) = 3; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =25.72410; con( 7, 1) =  .03342
      nexp( 7, 2) = 2; esp( 7, 2) =16.22790; con( 7, 2) =  .43245
      nexp( 7, 3) = 3; esp( 7, 3) = 8.76281; con( 7, 3) = -.68333
      nexp( 7, 4) = 3; esp( 7, 4) = 6.20312; con( 7, 4) = -.44303
      nexp( 7, 5) = 4; esp( 7, 5) = 4.03822; con( 7, 5) = -.00128
      nexp( 7, 6) = 4; esp( 7, 6) = 2.61826; con( 7, 6) = -.00132
      nexp( 7, 7) = 4; esp( 7, 7) = 1.65639; con( 7, 7) =  .00030
      nprin( 8) = 4; nazim( 8) = 1; nconf( 8) = 6; nterm( 8) = 7
      nexp( 8, 1) = 2; esp( 8, 1) =25.72410; con( 8, 1) =  .00961
      nexp( 8, 2) = 2; esp( 8, 2) =16.22790; con( 8, 2) =  .14837
      nexp( 8, 3) = 3; esp( 8, 3) = 8.76281; con( 8, 3) = -.26366
      nexp( 8, 4) = 3; esp( 8, 4) = 6.20312; con( 8, 4) = -.19102
      nexp( 8, 5) = 4; esp( 8, 5) = 4.03822; con( 8, 5) =  .56094
      nexp( 8, 6) = 4; esp( 8, 6) = 2.61826; con( 8, 6) =  .53673
      nexp( 8, 7) = 4; esp( 8, 7) = 1.65639; con( 8, 7) =  .05561
      nprin( 9) = 3; nazim( 9) = 2; nconf( 9) =10; nterm( 9) = 5
      nexp( 9, 1) = 3; esp( 9, 1) =12.92070; con( 9, 1) =  .23868
      nexp( 9, 2) = 3; esp( 9, 2) = 7.04305; con( 9, 2) =  .74269
      nexp( 9, 3) = 4; esp( 9, 3) = 4.68556; con( 9, 3) =  .11582
      nexp( 9, 4) = 4; esp( 9, 4) = 2.53176; con( 9, 4) = -.00659
      nexp( 9, 5) = 4; esp( 9, 5) = 1.18894; con( 9, 5) =  .00174
      nprin(10) = 4; nazim(10) = 2; nconf(10) = 2; nterm(10) = 5
      nexp(10, 1) = 3; esp(10, 1) =12.92070; con(10, 1) = -.04579
      nexp(10, 2) = 3; esp(10, 2) = 7.04305; con(10, 2) = -.14380
      nexp(10, 3) = 4; esp(10, 3) = 4.68556; con(10, 3) =  .06558
      nexp(10, 4) = 4; esp(10, 4) = 2.53176; con(10, 4) =  .50656
      nexp(10, 5) = 4; esp(10, 5) = 1.18894; con(10, 5) =  .60960
    case(40)
      norb =  9
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 9
      nexp( 1, 1) = 1; esp( 1, 1) =41.10980; con( 1, 1) =  .85247
      nexp( 1, 2) = 1; esp( 1, 2) =28.34320; con( 1, 2) =  .16513
      nexp( 1, 3) = 2; esp( 1, 3) =19.09090; con( 1, 3) = -.06953
      nexp( 1, 4) = 2; esp( 1, 4) =16.70750; con( 1, 4) =  .05660
      nexp( 1, 5) = 3; esp( 1, 5) =10.93860; con( 1, 5) = -.00768
      nexp( 1, 6) = 3; esp( 1, 6) = 7.86993; con( 1, 6) =  .00393
      nexp( 1, 7) = 4; esp( 1, 7) = 4.50854; con( 1, 7) = -.00153
      nexp( 1, 8) = 4; esp( 1, 8) = 3.22075; con( 1, 8) =  .00167
      nexp( 1, 9) = 4; esp( 1, 9) = 2.58348; con( 1, 9) = -.00077
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 9
      nexp( 2, 1) = 1; esp( 2, 1) =41.10980; con( 2, 1) =  .02845
      nexp( 2, 2) = 1; esp( 2, 2) =28.34320; con( 2, 2) =  .47587
      nexp( 2, 3) = 2; esp( 2, 3) =19.09090; con( 2, 3) = -.17955
      nexp( 2, 4) = 2; esp( 2, 4) =16.70750; con( 2, 4) =-1.00280
      nexp( 2, 5) = 3; esp( 2, 5) =10.93860; con( 2, 5) = -.03724
      nexp( 2, 6) = 3; esp( 2, 6) = 7.86993; con( 2, 6) =  .00855
      nexp( 2, 7) = 4; esp( 2, 7) = 4.50854; con( 2, 7) = -.00219
      nexp( 2, 8) = 4; esp( 2, 8) = 3.22075; con( 2, 8) =  .00230
      nexp( 2, 9) = 4; esp( 2, 9) = 2.58348; con( 2, 9) = -.00101
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 9
      nexp( 3, 1) = 1; esp( 3, 1) =41.10980; con( 3, 1) = -.00876
      nexp( 3, 2) = 1; esp( 3, 2) =28.34320; con( 3, 2) = -.20300
      nexp( 3, 3) = 2; esp( 3, 3) =19.09090; con( 3, 3) = -.39741
      nexp( 3, 4) = 2; esp( 3, 4) =16.70750; con( 3, 4) = 1.09384
      nexp( 3, 5) = 3; esp( 3, 5) =10.93860; con( 3, 5) = -.22901
      nexp( 3, 6) = 3; esp( 3, 6) = 7.86993; con( 3, 6) = -.96986
      nexp( 3, 7) = 4; esp( 3, 7) = 4.50854; con( 3, 7) = -.02878
      nexp( 3, 8) = 4; esp( 3, 8) = 3.22075; con( 3, 8) =  .01525
      nexp( 3, 9) = 4; esp( 3, 9) = 2.58348; con( 3, 9) = -.00610
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) = 9
      nexp( 4, 1) = 1; esp( 4, 1) =41.10980; con( 4, 1) = -.00256
      nexp( 4, 2) = 1; esp( 4, 2) =28.34320; con( 4, 2) = -.07699
      nexp( 4, 3) = 2; esp( 4, 3) =19.09090; con( 4, 3) = -.17468
      nexp( 4, 4) = 2; esp( 4, 4) =16.70750; con( 4, 4) =  .44791
      nexp( 4, 5) = 3; esp( 4, 5) =10.93860; con( 4, 5) = -.07017
      nexp( 4, 6) = 3; esp( 4, 6) = 7.86993; con( 4, 6) = -.51752
      nexp( 4, 7) = 4; esp( 4, 7) = 4.50854; con( 4, 7) =  .64827
      nexp( 4, 8) = 4; esp( 4, 8) = 3.22075; con( 4, 8) =  .37859
      nexp( 4, 9) = 4; esp( 4, 9) = 2.58348; con( 4, 9) =  .13901
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 7
      nexp( 5, 1) = 2; esp( 5, 1) =26.41180; con( 5, 1) = -.12935
      nexp( 5, 2) = 2; esp( 5, 2) =16.71350; con( 5, 2) = -.87250
      nexp( 5, 3) = 3; esp( 5, 3) = 9.01670; con( 5, 3) = -.03401
      nexp( 5, 4) = 3; esp( 5, 4) = 6.44970; con( 5, 4) =  .01681
      nexp( 5, 5) = 4; esp( 5, 5) = 4.37811; con( 5, 5) = -.00538
      nexp( 5, 6) = 4; esp( 5, 6) = 2.91510; con( 5, 6) =  .00295
      nexp( 5, 7) = 4; esp( 5, 7) = 1.92247; con( 5, 7) = -.00087
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =26.41180; con( 6, 1) =  .03251
      nexp( 6, 2) = 2; esp( 6, 2) =16.71350; con( 6, 2) =  .43847
      nexp( 6, 3) = 3; esp( 6, 3) = 9.01670; con( 6, 3) = -.69763
      nexp( 6, 4) = 3; esp( 6, 4) = 6.44970; con( 6, 4) = -.42940
      nexp( 6, 5) = 4; esp( 6, 5) = 4.37811; con( 6, 5) = -.00057
      nexp( 6, 6) = 4; esp( 6, 6) = 2.91510; con( 6, 6) = -.00179
      nexp( 6, 7) = 4; esp( 6, 7) = 1.92247; con( 6, 7) =  .00026
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =26.41180; con( 7, 1) =  .00963
      nexp( 7, 2) = 2; esp( 7, 2) =16.71350; con( 7, 2) =  .15442
      nexp( 7, 3) = 3; esp( 7, 3) = 9.01670; con( 7, 3) = -.27104
      nexp( 7, 4) = 3; esp( 7, 4) = 6.44970; con( 7, 4) = -.20816
      nexp( 7, 5) = 4; esp( 7, 5) = 4.37811; con( 7, 5) =  .51601
      nexp( 7, 6) = 4; esp( 7, 6) = 2.91510; con( 7, 6) =  .54453
      nexp( 7, 7) = 4; esp( 7, 7) = 1.92247; con( 7, 7) =  .10855
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) =13.34840; con( 8, 1) =  .24006
      nexp( 8, 2) = 3; esp( 8, 2) = 7.30972; con( 8, 2) =  .75146
      nexp( 8, 3) = 4; esp( 8, 3) = 4.79790; con( 8, 3) =  .10110
      nexp( 8, 4) = 4; esp( 8, 4) = 2.54864; con( 8, 4) = -.00733
      nexp( 8, 5) = 4; esp( 8, 5) = 1.17646; con( 8, 5) =  .00191
      nprin( 9) = 4; nazim( 9) = 2; nconf( 9) = 4; nterm( 9) = 5
      nexp( 9, 1) = 3; esp( 9, 1) =13.34840; con( 9, 1) = -.04840
      nexp( 9, 2) = 3; esp( 9, 2) = 7.30972; con( 9, 2) = -.15899
      nexp( 9, 3) = 4; esp( 9, 3) = 4.79790; con( 9, 3) =  .10412
      nexp( 9, 4) = 4; esp( 9, 4) = 2.54864; con( 9, 4) =  .55842
      nexp( 9, 5) = 4; esp( 9, 5) = 1.17646; con( 9, 5) =  .54433
    case(41)
      norb =  9
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 9
      nexp( 1, 1) = 1; esp( 1, 1) =42.11660; con( 1, 1) =  .85560
      nexp( 1, 2) = 1; esp( 1, 2) =28.90030; con( 1, 2) =  .16254
      nexp( 1, 3) = 2; esp( 1, 3) =19.62750; con( 1, 3) = -.07275
      nexp( 1, 4) = 2; esp( 1, 4) =17.17410; con( 1, 4) =  .05949
      nexp( 1, 5) = 3; esp( 1, 5) =11.48940; con( 1, 5) = -.00807
      nexp( 1, 6) = 3; esp( 1, 6) = 8.21250; con( 1, 6) =  .00391
      nexp( 1, 7) = 4; esp( 1, 7) = 4.70554; con( 1, 7) = -.00146
      nexp( 1, 8) = 4; esp( 1, 8) = 3.34203; con( 1, 8) =  .00154
      nexp( 1, 9) = 4; esp( 1, 9) = 2.64850; con( 1, 9) = -.00069
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 9
      nexp( 2, 1) = 1; esp( 2, 1) =42.11660; con( 2, 1) =  .02925
      nexp( 2, 2) = 1; esp( 2, 2) =28.90030; con( 2, 2) =  .47955
      nexp( 2, 3) = 2; esp( 2, 3) =19.62750; con( 2, 3) = -.19030
      nexp( 2, 4) = 2; esp( 2, 4) =17.17410; con( 2, 4) = -.99513
      nexp( 2, 5) = 3; esp( 2, 5) =11.48940; con( 2, 5) = -.03782
      nexp( 2, 6) = 3; esp( 2, 6) = 8.21250; con( 2, 6) =  .00774
      nexp( 2, 7) = 4; esp( 2, 7) = 4.70554; con( 2, 7) = -.00186
      nexp( 2, 8) = 4; esp( 2, 8) = 3.34203; con( 2, 8) =  .00190
      nexp( 2, 9) = 4; esp( 2, 9) = 2.64850; con( 2, 9) = -.00081
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 9
      nexp( 3, 1) = 1; esp( 3, 1) =42.11660; con( 3, 1) = -.00919
      nexp( 3, 2) = 1; esp( 3, 2) =28.90030; con( 3, 2) = -.20601
      nexp( 3, 3) = 2; esp( 3, 3) =19.62750; con( 3, 3) = -.40058
      nexp( 3, 4) = 2; esp( 3, 4) =17.17410; con( 3, 4) = 1.10532
      nexp( 3, 5) = 3; esp( 3, 5) =11.48940; con( 3, 5) = -.19287
      nexp( 3, 6) = 3; esp( 3, 6) = 8.21250; con( 3, 6) =-1.00717
      nexp( 3, 7) = 4; esp( 3, 7) = 4.70554; con( 3, 7) = -.03012
      nexp( 3, 8) = 4; esp( 3, 8) = 3.34203; con( 3, 8) =  .01542
      nexp( 3, 9) = 4; esp( 3, 9) = 2.64850; con( 3, 9) = -.00603
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) = 9
      nexp( 4, 1) = 1; esp( 4, 1) =42.11660; con( 4, 1) = -.00260
      nexp( 4, 2) = 1; esp( 4, 2) =28.90030; con( 4, 2) = -.08011
      nexp( 4, 3) = 2; esp( 4, 3) =19.62750; con( 4, 3) = -.17678
      nexp( 4, 4) = 2; esp( 4, 4) =17.17410; con( 4, 4) =  .45866
      nexp( 4, 5) = 3; esp( 4, 5) =11.48940; con( 4, 5) = -.05030
      nexp( 4, 6) = 3; esp( 4, 6) = 8.21250; con( 4, 6) = -.55493
      nexp( 4, 7) = 4; esp( 4, 7) = 4.70554; con( 4, 7) =  .67038
      nexp( 4, 8) = 4; esp( 4, 8) = 3.34203; con( 4, 8) =  .38647
      nexp( 4, 9) = 4; esp( 4, 9) = 2.64850; con( 4, 9) =  .11569
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 7
      nexp( 5, 1) = 2; esp( 5, 1) =27.03590; con( 5, 1) = -.12946
      nexp( 5, 2) = 2; esp( 5, 2) =17.18580; con( 5, 2) = -.87224
      nexp( 5, 3) = 3; esp( 5, 3) = 9.27353; con( 5, 3) = -.03444
      nexp( 5, 4) = 3; esp( 5, 4) = 6.70608; con( 5, 4) =  .01762
      nexp( 5, 5) = 4; esp( 5, 5) = 4.61304; con( 5, 5) = -.00547
      nexp( 5, 6) = 4; esp( 5, 6) = 3.08219; con( 5, 6) =  .00289
      nexp( 5, 7) = 4; esp( 5, 7) = 2.03253; con( 5, 7) = -.00083
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =27.03590; con( 6, 1) =  .03215
      nexp( 6, 2) = 2; esp( 6, 2) =17.18580; con( 6, 2) =  .44395
      nexp( 6, 3) = 3; esp( 6, 3) = 9.27353; con( 6, 3) = -.71115
      nexp( 6, 4) = 3; esp( 6, 4) = 6.70608; con( 6, 4) = -.41611
      nexp( 6, 5) = 4; esp( 6, 5) = 4.61304; con( 6, 5) = -.00148
      nexp( 6, 6) = 4; esp( 6, 6) = 3.08219; con( 6, 6) = -.00142
      nexp( 6, 7) = 4; esp( 6, 7) = 2.03253; con( 6, 7) =  .00010
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =27.03590; con( 7, 1) =  .00968
      nexp( 7, 2) = 2; esp( 7, 2) =17.18580; con( 7, 2) =  .16081
      nexp( 7, 3) = 3; esp( 7, 3) = 9.27353; con( 7, 3) = -.28168
      nexp( 7, 4) = 3; esp( 7, 4) = 6.70608; con( 7, 4) = -.21806
      nexp( 7, 5) = 4; esp( 7, 5) = 4.61304; con( 7, 5) =  .52814
      nexp( 7, 6) = 4; esp( 7, 6) = 3.08219; con( 7, 6) =  .53963
      nexp( 7, 7) = 4; esp( 7, 7) = 2.03253; con( 7, 7) =  .11041
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) =13.82720; con( 8, 1) =  .23725
      nexp( 8, 2) = 3; esp( 8, 2) = 7.61214; con( 8, 2) =  .75915
      nexp( 8, 3) = 4; esp( 8, 3) = 4.93415; con( 8, 3) =  .09355
      nexp( 8, 4) = 4; esp( 8, 4) = 2.73772; con( 8, 4) = -.00925
      nexp( 8, 5) = 4; esp( 8, 5) = 1.31126; con( 8, 5) =  .00221
      nprin( 9) = 4; nazim( 9) = 2; nconf( 9) = 5; nterm( 9) = 5
      nexp( 9, 1) = 3; esp( 9, 1) =13.82720; con( 9, 1) = -.05397
      nexp( 9, 2) = 3; esp( 9, 2) = 7.61214; con( 9, 2) = -.17792
      nexp( 9, 3) = 4; esp( 9, 3) = 4.93415; con( 9, 3) =  .12564
      nexp( 9, 4) = 4; esp( 9, 4) = 2.73772; con( 9, 4) =  .57951
      nexp( 9, 5) = 4; esp( 9, 5) = 1.31126; con( 9, 5) =  .49494
    case(42)
      norb =  9
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 9
      nexp( 1, 1) = 1; esp( 1, 1) =43.14050; con( 1, 1) =  .85545
      nexp( 1, 2) = 1; esp( 1, 2) =29.78150; con( 1, 2) =  .16200
      nexp( 1, 3) = 2; esp( 1, 3) =19.66010; con( 1, 3) = -.09988
      nexp( 1, 4) = 2; esp( 1, 4) =17.88260; con( 1, 4) =  .08783
      nexp( 1, 5) = 3; esp( 1, 5) =12.22990; con( 1, 5) = -.00821
      nexp( 1, 6) = 3; esp( 1, 6) = 8.55027; con( 1, 6) =  .00345
      nexp( 1, 7) = 4; esp( 1, 7) = 4.88931; con( 1, 7) = -.00112
      nexp( 1, 8) = 4; esp( 1, 8) = 3.38113; con( 1, 8) =  .00096
      nexp( 1, 9) = 4; esp( 1, 9) = 2.47192; con( 1, 9) = -.00037
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 9
      nexp( 2, 1) = 1; esp( 2, 1) =43.14050; con( 2, 1) =  .02700
      nexp( 2, 2) = 1; esp( 2, 2) =29.78150; con( 2, 2) =  .48043
      nexp( 2, 3) = 2; esp( 2, 3) =19.66010; con( 2, 3) = -.10950
      nexp( 2, 4) = 2; esp( 2, 4) =17.88260; con( 2, 4) =-1.06818
      nexp( 2, 5) = 3; esp( 2, 5) =12.22990; con( 2, 5) = -.04327
      nexp( 2, 6) = 3; esp( 2, 6) = 8.55027; con( 2, 6) =  .00733
      nexp( 2, 7) = 4; esp( 2, 7) = 4.88931; con( 2, 7) = -.00160
      nexp( 2, 8) = 4; esp( 2, 8) = 3.38113; con( 2, 8) =  .00138
      nexp( 2, 9) = 4; esp( 2, 9) = 2.47192; con( 2, 9) = -.00050
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 9
      nexp( 3, 1) = 1; esp( 3, 1) =43.14050; con( 3, 1) = -.00779
      nexp( 3, 2) = 1; esp( 3, 2) =29.78150; con( 3, 2) = -.20866
      nexp( 3, 3) = 2; esp( 3, 3) =19.66010; con( 3, 3) = -.68733
      nexp( 3, 4) = 2; esp( 3, 4) =17.88260; con( 3, 4) = 1.39929
      nexp( 3, 5) = 3; esp( 3, 5) =12.22990; con( 3, 5) = -.15808
      nexp( 3, 6) = 3; esp( 3, 6) = 8.55027; con( 3, 6) =-1.04571
      nexp( 3, 7) = 4; esp( 3, 7) = 4.88931; con( 3, 7) = -.02859
      nexp( 3, 8) = 4; esp( 3, 8) = 3.38113; con( 3, 8) =  .01149
      nexp( 3, 9) = 4; esp( 3, 9) = 2.47192; con( 3, 9) = -.00381
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) = 9
      nexp( 4, 1) = 1; esp( 4, 1) =43.14050; con( 4, 1) = -.00191
      nexp( 4, 2) = 1; esp( 4, 2) =29.78150; con( 4, 2) = -.08302
      nexp( 4, 3) = 2; esp( 4, 3) =19.66010; con( 4, 3) = -.29904
      nexp( 4, 4) = 2; esp( 4, 4) =17.88260; con( 4, 4) =  .58858
      nexp( 4, 5) = 3; esp( 4, 5) =12.22990; con( 4, 5) = -.03267
      nexp( 4, 6) = 3; esp( 4, 6) = 8.55027; con( 4, 6) = -.58892
      nexp( 4, 7) = 4; esp( 4, 7) = 4.88931; con( 4, 7) =  .70190
      nexp( 4, 8) = 4; esp( 4, 8) = 3.38113; con( 4, 8) =  .42909
      nexp( 4, 9) = 4; esp( 4, 9) = 2.47192; con( 4, 9) =  .04737
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 7
      nexp( 5, 1) = 2; esp( 5, 1) =27.64310; con( 5, 1) = -.13000
      nexp( 5, 2) = 2; esp( 5, 2) =17.65560; con( 5, 2) = -.87155
      nexp( 5, 3) = 3; esp( 5, 3) = 9.58870; con( 5, 3) = -.03452
      nexp( 5, 4) = 3; esp( 5, 4) = 7.09084; con( 5, 4) =  .01750
      nexp( 5, 5) = 4; esp( 5, 5) = 4.80266; con( 5, 5) = -.00456
      nexp( 5, 6) = 4; esp( 5, 6) = 3.16931; con( 5, 6) =  .00229
      nexp( 5, 7) = 4; esp( 5, 7) = 2.04386; con( 5, 7) = -.00064
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =27.64310; con( 6, 1) =  .03175
      nexp( 6, 2) = 2; esp( 6, 2) =17.65560; con( 6, 2) =  .44954
      nexp( 6, 3) = 3; esp( 6, 3) = 9.58870; con( 6, 3) = -.69289
      nexp( 6, 4) = 3; esp( 6, 4) = 7.09084; con( 6, 4) = -.43175
      nexp( 6, 5) = 4; esp( 6, 5) = 4.80266; con( 6, 5) = -.00714
      nexp( 6, 6) = 4; esp( 6, 6) = 3.16931; con( 6, 6) =  .00060
      nexp( 6, 7) = 4; esp( 6, 7) = 2.04386; con( 6, 7) = -.00043
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =27.64310; con( 7, 1) =  .00968
      nexp( 7, 2) = 2; esp( 7, 2) =17.65560; con( 7, 2) =  .16709
      nexp( 7, 3) = 3; esp( 7, 3) = 9.58870; con( 7, 3) = -.27809
      nexp( 7, 4) = 3; esp( 7, 4) = 7.09084; con( 7, 4) = -.23776
      nexp( 7, 5) = 4; esp( 7, 5) = 4.80266; con( 7, 5) =  .56157
      nexp( 7, 6) = 4; esp( 7, 6) = 3.16931; con( 7, 6) =  .53754
      nexp( 7, 7) = 4; esp( 7, 7) = 2.04386; con( 7, 7) =  .08356
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) =14.06420; con( 8, 1) =  .25465
      nexp( 8, 2) = 3; esp( 8, 2) = 7.73842; con( 8, 2) =  .76438
      nexp( 8, 3) = 4; esp( 8, 3) = 4.69545; con( 8, 3) =  .06746
      nexp( 8, 4) = 4; esp( 8, 4) = 2.77739; con( 8, 4) = -.01089
      nexp( 8, 5) = 4; esp( 8, 5) = 1.36991; con( 8, 5) =  .00244
      nprin( 9) = 4; nazim( 9) = 2; nconf( 9) = 6; nterm( 9) = 5
      nexp( 9, 1) = 3; esp( 9, 1) =14.06420; con( 9, 1) = -.06416
      nexp( 9, 2) = 3; esp( 9, 2) = 7.73842; con( 9, 2) = -.18676
      nexp( 9, 3) = 4; esp( 9, 3) = 4.69545; con( 9, 3) =  .20149
      nexp( 9, 4) = 4; esp( 9, 4) = 2.77739; con( 9, 4) =  .55816
      nexp( 9, 5) = 4; esp( 9, 5) = 1.36991; con( 9, 5) =  .44671
    case(43)
      norb =  9
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 9
      nexp( 1, 1) = 1; esp( 1, 1) =44.15280; con( 1, 1) =  .85478
      nexp( 1, 2) = 1; esp( 1, 2) =30.92560; con( 1, 2) =  .16084
      nexp( 1, 3) = 2; esp( 1, 3) =20.10150; con( 1, 3) = -.09675
      nexp( 1, 4) = 2; esp( 1, 4) =18.44720; con( 1, 4) =  .08629
      nexp( 1, 5) = 3; esp( 1, 5) =12.78620; con( 1, 5) = -.00717
      nexp( 1, 6) = 3; esp( 1, 6) = 8.88272; con( 1, 6) =  .00280
      nexp( 1, 7) = 4; esp( 1, 7) = 5.07803; con( 1, 7) = -.00085
      nexp( 1, 8) = 4; esp( 1, 8) = 3.48991; con( 1, 8) =  .00070
      nexp( 1, 9) = 4; esp( 1, 9) = 2.49311; con( 1, 9) = -.00026
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 9
      nexp( 2, 1) = 1; esp( 2, 1) =44.15280; con( 2, 1) =  .01965
      nexp( 2, 2) = 1; esp( 2, 2) =30.92560; con( 2, 2) =  .48392
      nexp( 2, 3) = 2; esp( 2, 3) =20.10150; con( 2, 3) = -.01355
      nexp( 2, 4) = 2; esp( 2, 4) =18.44720; con( 2, 4) =-1.15942
      nexp( 2, 5) = 3; esp( 2, 5) =12.78620; con( 2, 5) = -.04027
      nexp( 2, 6) = 3; esp( 2, 6) = 8.88272; con( 2, 6) =  .00459
      nexp( 2, 7) = 4; esp( 2, 7) = 5.07803; con( 2, 7) = -.00055
      nexp( 2, 8) = 4; esp( 2, 8) = 3.48991; con( 2, 8) =  .00043
      nexp( 2, 9) = 4; esp( 2, 9) = 2.49311; con( 2, 9) = -.00013
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 9
      nexp( 3, 1) = 1; esp( 3, 1) =44.15280; con( 3, 1) = -.00459
      nexp( 3, 2) = 1; esp( 3, 2) =30.92560; con( 3, 2) = -.21159
      nexp( 3, 3) = 2; esp( 3, 3) =20.10150; con( 3, 3) = -.82240
      nexp( 3, 4) = 2; esp( 3, 4) =18.44720; con( 3, 4) = 1.53752
      nexp( 3, 5) = 3; esp( 3, 5) =12.78620; con( 3, 5) = -.13289
      nexp( 3, 6) = 3; esp( 3, 6) = 8.88272; con( 3, 6) =-1.07131
      nexp( 3, 7) = 4; esp( 3, 7) = 5.07803; con( 3, 7) = -.03045
      nexp( 3, 8) = 4; esp( 3, 8) = 3.48991; con( 3, 8) =  .01219
      nexp( 3, 9) = 4; esp( 3, 9) = 2.49311; con( 3, 9) = -.00396
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) = 9
      nexp( 4, 1) = 1; esp( 4, 1) =44.15280; con( 4, 1) = -.00054
      nexp( 4, 2) = 1; esp( 4, 2) =30.92560; con( 4, 2) = -.08574
      nexp( 4, 3) = 2; esp( 4, 3) =20.10150; con( 4, 3) = -.35724
      nexp( 4, 4) = 2; esp( 4, 4) =18.44720; con( 4, 4) =  .65220
      nexp( 4, 5) = 3; esp( 4, 5) =12.78620; con( 4, 5) = -.01755
      nexp( 4, 6) = 3; esp( 4, 6) = 8.88272; con( 4, 6) = -.61777
      nexp( 4, 7) = 4; esp( 4, 7) = 5.07803; con( 4, 7) =  .72306
      nexp( 4, 8) = 4; esp( 4, 8) = 3.48991; con( 4, 8) =  .42386
      nexp( 4, 9) = 4; esp( 4, 9) = 2.49311; con( 4, 9) =  .03666
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 7
      nexp( 5, 1) = 2; esp( 5, 1) =28.24940; con( 5, 1) = -.13053
      nexp( 5, 2) = 2; esp( 5, 2) =18.12530; con( 5, 2) = -.87093
      nexp( 5, 3) = 3; esp( 5, 3) = 9.86474; con( 5, 3) = -.03488
      nexp( 5, 4) = 3; esp( 5, 4) = 7.40530; con( 5, 4) =  .01808
      nexp( 5, 5) = 4; esp( 5, 5) = 5.03978; con( 5, 5) = -.00434
      nexp( 5, 6) = 4; esp( 5, 6) = 3.32695; con( 5, 6) =  .00210
      nexp( 5, 7) = 4; esp( 5, 7) = 2.14087; con( 5, 7) = -.00057
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =28.24940; con( 6, 1) =  .03144
      nexp( 6, 2) = 2; esp( 6, 2) =18.12530; con( 6, 2) =  .45461
      nexp( 6, 3) = 3; esp( 6, 3) = 9.86474; con( 6, 3) = -.69412
      nexp( 6, 4) = 3; esp( 6, 4) = 7.40530; con( 6, 4) = -.42949
      nexp( 6, 5) = 4; esp( 6, 5) = 5.03978; con( 6, 5) = -.01011
      nexp( 6, 6) = 4; esp( 6, 6) = 3.32695; con( 6, 6) =  .00152
      nexp( 6, 7) = 4; esp( 6, 7) = 2.14087; con( 6, 7) = -.00070
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =28.24940; con( 7, 1) =  .00970
      nexp( 7, 2) = 2; esp( 7, 2) =18.12530; con( 7, 2) =  .17267
      nexp( 7, 3) = 3; esp( 7, 3) = 9.86474; con( 7, 3) = -.28021
      nexp( 7, 4) = 3; esp( 7, 4) = 7.40530; con( 7, 4) = -.25277
      nexp( 7, 5) = 4; esp( 7, 5) = 5.03978; con( 7, 5) =  .56849
      nexp( 7, 6) = 4; esp( 7, 6) = 3.32695; con( 7, 6) =  .53911
      nexp( 7, 7) = 4; esp( 7, 7) = 2.14087; con( 7, 7) =  .08247
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) =14.59380; con( 8, 1) =  .24524
      nexp( 8, 2) = 3; esp( 8, 2) = 8.11647; con( 8, 2) =  .76749
      nexp( 8, 3) = 4; esp( 8, 3) = 5.04274; con( 8, 3) =  .07094
      nexp( 8, 4) = 4; esp( 8, 4) = 2.98629; con( 8, 4) = -.01056
      nexp( 8, 5) = 4; esp( 8, 5) = 1.46829; con( 8, 5) =  .00249
      nprin( 9) = 4; nazim( 9) = 2; nconf( 9) = 7; nterm( 9) = 5
      nexp( 9, 1) = 3; esp( 9, 1) =14.59380; con( 9, 1) = -.06518
      nexp( 9, 2) = 3; esp( 9, 2) = 8.11647; con( 9, 2) = -.20224
      nexp( 9, 3) = 4; esp( 9, 3) = 5.04274; con( 9, 3) =  .20088
      nexp( 9, 4) = 4; esp( 9, 4) = 2.98629; con( 9, 4) =  .57555
      nexp( 9, 5) = 4; esp( 9, 5) = 1.46829; con( 9, 5) =  .43106
    case(44)
      norb =  9
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 9
      nexp( 1, 1) = 1; esp( 1, 1) =45.16680; con( 1, 1) =  .85895
      nexp( 1, 2) = 1; esp( 1, 2) =31.10290; con( 1, 2) =  .15891
      nexp( 1, 3) = 2; esp( 1, 3) =20.48290; con( 1, 3) = -.13672
      nexp( 1, 4) = 2; esp( 1, 4) =19.04240; con( 1, 4) =  .12495
      nexp( 1, 5) = 3; esp( 1, 5) =13.49850; con( 1, 5) = -.00895
      nexp( 1, 6) = 3; esp( 1, 6) = 9.19966; con( 1, 6) =  .00319
      nexp( 1, 7) = 4; esp( 1, 7) = 5.27372; con( 1, 7) = -.00102
      nexp( 1, 8) = 4; esp( 1, 8) = 3.61594; con( 1, 8) =  .00086
      nexp( 1, 9) = 4; esp( 1, 9) = 2.61880; con( 1, 9) = -.00033
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 9
      nexp( 2, 1) = 1; esp( 2, 1) =45.16680; con( 2, 1) =  .02642
      nexp( 2, 2) = 1; esp( 2, 2) =31.10290; con( 2, 2) =  .48605
      nexp( 2, 3) = 2; esp( 2, 3) =20.48290; con( 2, 3) = -.00366
      nexp( 2, 4) = 2; esp( 2, 4) =19.04240; con( 2, 4) =-1.17235
      nexp( 2, 5) = 3; esp( 2, 5) =13.49850; con( 2, 5) = -.04834
      nexp( 2, 6) = 3; esp( 2, 6) = 9.19966; con( 2, 6) =  .00588
      nexp( 2, 7) = 4; esp( 2, 7) = 5.27372; con( 2, 7) = -.00122
      nexp( 2, 8) = 4; esp( 2, 8) = 3.61594; con( 2, 8) =  .00105
      nexp( 2, 9) = 4; esp( 2, 9) = 2.61880; con( 2, 9) = -.00038
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 9
      nexp( 3, 1) = 1; esp( 3, 1) =45.16680; con( 3, 1) = -.00778
      nexp( 3, 2) = 1; esp( 3, 2) =31.10290; con( 3, 2) = -.21350
      nexp( 3, 3) = 2; esp( 3, 3) =20.48290; con( 3, 3) =-1.01634
      nexp( 3, 4) = 2; esp( 3, 4) =19.04240; con( 3, 4) = 1.74026
      nexp( 3, 5) = 3; esp( 3, 5) =13.49850; con( 3, 5) = -.10981
      nexp( 3, 6) = 3; esp( 3, 6) = 9.19966; con( 3, 6) =-1.09572
      nexp( 3, 7) = 4; esp( 3, 7) = 5.27372; con( 3, 7) = -.02933
      nexp( 3, 8) = 4; esp( 3, 8) = 3.61594; con( 3, 8) =  .01097
      nexp( 3, 9) = 4; esp( 3, 9) = 2.61880; con( 3, 9) = -.00360
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) = 9
      nexp( 4, 1) = 1; esp( 4, 1) =45.16680; con( 4, 1) = -.00155
      nexp( 4, 2) = 1; esp( 4, 2) =31.10290; con( 4, 2) = -.08827
      nexp( 4, 3) = 2; esp( 4, 3) =20.48290; con( 4, 3) = -.43343
      nexp( 4, 4) = 2; esp( 4, 4) =19.04240; con( 4, 4) =  .73466
      nexp( 4, 5) = 3; esp( 4, 5) =13.49850; con( 4, 5) = -.00268
      nexp( 4, 6) = 3; esp( 4, 6) = 9.19966; con( 4, 6) = -.64462
      nexp( 4, 7) = 4; esp( 4, 7) = 5.27372; con( 4, 7) =  .73928
      nexp( 4, 8) = 4; esp( 4, 8) = 3.61594; con( 4, 8) =  .41355
      nexp( 4, 9) = 4; esp( 4, 9) = 2.61880; con( 4, 9) =  .03670
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 7
      nexp( 5, 1) = 2; esp( 5, 1) =28.84240; con( 5, 1) = -.13144
      nexp( 5, 2) = 2; esp( 5, 2) =18.59030; con( 5, 2) = -.87011
      nexp( 5, 3) = 3; esp( 5, 3) =10.09130; con( 5, 3) = -.03490
      nexp( 5, 4) = 3; esp( 5, 4) = 7.62287; con( 5, 4) =  .01872
      nexp( 5, 5) = 4; esp( 5, 5) = 5.28410; con( 5, 5) = -.00442
      nexp( 5, 6) = 4; esp( 5, 6) = 3.48206; con( 5, 6) =  .00203
      nexp( 5, 7) = 4; esp( 5, 7) = 2.23147; con( 5, 7) = -.00053
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =28.84240; con( 6, 1) =  .03136
      nexp( 6, 2) = 2; esp( 6, 2) =18.59030; con( 6, 2) =  .45921
      nexp( 6, 3) = 3; esp( 6, 3) =10.09130; con( 6, 3) = -.72337
      nexp( 6, 4) = 3; esp( 6, 4) = 7.62287; con( 6, 4) = -.40101
      nexp( 6, 5) = 4; esp( 6, 5) = 5.28410; con( 6, 5) = -.01044
      nexp( 6, 6) = 4; esp( 6, 6) = 3.48206; con( 6, 6) =  .00147
      nexp( 6, 7) = 4; esp( 6, 7) = 2.23147; con( 6, 7) = -.00073
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =28.84240; con( 7, 1) =  .00975
      nexp( 7, 2) = 2; esp( 7, 2) =18.59030; con( 7, 2) =  .17779
      nexp( 7, 3) = 3; esp( 7, 3) =10.09130; con( 7, 3) = -.29430
      nexp( 7, 4) = 3; esp( 7, 4) = 7.62287; con( 7, 4) = -.25682
      nexp( 7, 5) = 4; esp( 7, 5) = 5.28410; con( 7, 5) =  .57575
      nexp( 7, 6) = 4; esp( 7, 6) = 3.48206; con( 7, 6) =  .54294
      nexp( 7, 7) = 4; esp( 7, 7) = 2.23147; con( 7, 7) =  .08114
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) =15.16420; con( 8, 1) =  .23594
      nexp( 8, 2) = 3; esp( 8, 2) = 8.46851; con( 8, 2) =  .77526
      nexp( 8, 3) = 4; esp( 8, 3) = 5.25471; con( 8, 3) =  .07010
      nexp( 8, 4) = 4; esp( 8, 4) = 3.12928; con( 8, 4) = -.01073
      nexp( 8, 5) = 4; esp( 8, 5) = 1.54972; con( 8, 5) =  .00266
      nprin( 9) = 4; nazim( 9) = 2; nconf( 9) = 8; nterm( 9) = 5
      nexp( 9, 1) = 3; esp( 9, 1) =15.16420; con( 9, 1) = -.06582
      nexp( 9, 2) = 3; esp( 9, 2) = 8.46851; con( 9, 2) = -.21592
      nexp( 9, 3) = 4; esp( 9, 3) = 5.25471; con( 9, 3) =  .22128
      nexp( 9, 4) = 4; esp( 9, 4) = 3.12928; con( 9, 4) =  .57990
      nexp( 9, 5) = 4; esp( 9, 5) = 1.54972; con( 9, 5) =  .40775
    case(45)
      norb =  9
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 9
      nexp( 1, 1) = 1; esp( 1, 1) =46.16090; con( 1, 1) =  .86311
      nexp( 1, 2) = 1; esp( 1, 2) =31.53901; con( 1, 2) =  .15559
      nexp( 1, 3) = 2; esp( 1, 3) =21.40055; con( 1, 3) = -.10500
      nexp( 1, 4) = 2; esp( 1, 4) =19.34869; con( 1, 4) =  .09251
      nexp( 1, 5) = 3; esp( 1, 5) =14.15310; con( 1, 5) = -.00911
      nexp( 1, 6) = 3; esp( 1, 6) = 9.52913; con( 1, 6) =  .00298
      nexp( 1, 7) = 4; esp( 1, 7) = 5.48810; con( 1, 7) = -.00094
      nexp( 1, 8) = 4; esp( 1, 8) = 3.76374; con( 1, 8) =  .00074
      nexp( 1, 9) = 4; esp( 1, 9) = 2.64216; con( 1, 9) = -.00026
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 9
      nexp( 2, 1) = 1; esp( 2, 1) =46.16090; con( 2, 1) =  .02783
      nexp( 2, 2) = 1; esp( 2, 2) =31.53901; con( 2, 2) =  .49098
      nexp( 2, 3) = 2; esp( 2, 3) =21.40055; con( 2, 3) = -.12280
      nexp( 2, 4) = 2; esp( 2, 4) =19.34869; con( 2, 4) =-1.05970
      nexp( 2, 5) = 3; esp( 2, 5) =14.15310; con( 2, 5) = -.04682
      nexp( 2, 6) = 3; esp( 2, 6) = 9.52913; con( 2, 6) =  .00410
      nexp( 2, 7) = 4; esp( 2, 7) = 5.48810; con( 2, 7) = -.00073
      nexp( 2, 8) = 4; esp( 2, 8) = 3.76374; con( 2, 8) =  .00062
      nexp( 2, 9) = 4; esp( 2, 9) = 2.64216; con( 2, 9) = -.00020
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 9
      nexp( 3, 1) = 1; esp( 3, 1) =46.16090; con( 3, 1) = -.00899
      nexp( 3, 2) = 1; esp( 3, 2) =31.53901; con( 3, 2) = -.21595
      nexp( 3, 3) = 2; esp( 3, 3) =21.40055; con( 3, 3) = -.66348
      nexp( 3, 4) = 2; esp( 3, 4) =19.34869; con( 3, 4) = 1.39307
      nexp( 3, 5) = 3; esp( 3, 5) =14.15310; con( 3, 5) = -.08599
      nexp( 3, 6) = 3; esp( 3, 6) = 9.52913; con( 3, 6) =-1.11817
      nexp( 3, 7) = 4; esp( 3, 7) = 5.48810; con( 3, 7) = -.03043
      nexp( 3, 8) = 4; esp( 3, 8) = 3.76374; con( 3, 8) =  .01063
      nexp( 3, 9) = 4; esp( 3, 9) = 2.64216; con( 3, 9) = -.00324
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) = 9
      nexp( 4, 1) = 1; esp( 4, 1) =46.16090; con( 4, 1) = -.00174
      nexp( 4, 2) = 1; esp( 4, 2) =31.53901; con( 4, 2) = -.09095
      nexp( 4, 3) = 2; esp( 4, 3) =21.40055; con( 4, 3) = -.27594
      nexp( 4, 4) = 2; esp( 4, 4) =19.34869; con( 4, 4) =  .58129
      nexp( 4, 5) = 3; esp( 4, 5) =14.15310; con( 4, 5) =  .01424
      nexp( 4, 6) = 3; esp( 4, 6) = 9.52913; con( 4, 6) = -.67086
      nexp( 4, 7) = 4; esp( 4, 7) = 5.48810; con( 4, 7) =  .73917
      nexp( 4, 8) = 4; esp( 4, 8) = 3.76374; con( 4, 8) =  .42255
      nexp( 4, 9) = 4; esp( 4, 9) = 2.64216; con( 4, 9) =  .03335
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 7
      nexp( 5, 1) = 2; esp( 5, 1) =29.44820; con( 5, 1) = -.13195
      nexp( 5, 2) = 2; esp( 5, 2) =19.05914; con( 5, 2) = -.86963
      nexp( 5, 3) = 3; esp( 5, 3) =10.31517; con( 5, 3) = -.03531
      nexp( 5, 4) = 3; esp( 5, 4) = 7.83910; con( 5, 4) =  .01977
      nexp( 5, 5) = 4; esp( 5, 5) = 5.55328; con( 5, 5) = -.00473
      nexp( 5, 6) = 4; esp( 5, 6) = 3.68055; con( 5, 6) =  .00209
      nexp( 5, 7) = 4; esp( 5, 7) = 2.38196; con( 5, 7) = -.00053
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =29.44820; con( 6, 1) =  .03112
      nexp( 6, 2) = 2; esp( 6, 2) =19.05914; con( 6, 2) =  .46372
      nexp( 6, 3) = 3; esp( 6, 3) =10.31517; con( 6, 3) = -.75408
      nexp( 6, 4) = 3; esp( 6, 4) = 7.83910; con( 6, 4) = -.37046
      nexp( 6, 5) = 4; esp( 6, 5) = 5.55328; con( 6, 5) = -.01160
      nexp( 6, 6) = 4; esp( 6, 6) = 3.68055; con( 6, 6) =  .00175
      nexp( 6, 7) = 4; esp( 6, 7) = 2.38196; con( 6, 7) = -.00086
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =29.44820; con( 7, 1) =  .00972
      nexp( 7, 2) = 2; esp( 7, 2) =19.05914; con( 7, 2) =  .18255
      nexp( 7, 3) = 3; esp( 7, 3) =10.31517; con( 7, 3) = -.30794
      nexp( 7, 4) = 3; esp( 7, 4) = 7.83910; con( 7, 4) = -.26076
      nexp( 7, 5) = 4; esp( 7, 5) = 5.55328; con( 7, 5) =  .56909
      nexp( 7, 6) = 4; esp( 7, 6) = 3.68055; con( 7, 6) =  .54821
      nexp( 7, 7) = 4; esp( 7, 7) = 2.38196; con( 7, 7) =  .09286
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) =15.67055; con( 8, 1) =  .23156
      nexp( 8, 2) = 3; esp( 8, 2) = 8.78548; con( 8, 2) =  .78059
      nexp( 8, 3) = 4; esp( 8, 3) = 5.40496; con( 8, 3) =  .06800
      nexp( 8, 4) = 4; esp( 8, 4) = 3.43781; con( 8, 4) = -.01188
      nexp( 8, 5) = 4; esp( 8, 5) = 1.73097; con( 8, 5) =  .00271
      nprin( 9) = 4; nazim( 9) = 2; nconf( 9) = 9; nterm( 9) = 5
      nexp( 9, 1) = 3; esp( 9, 1) =15.67055; con( 9, 1) = -.06872
      nexp( 9, 2) = 3; esp( 9, 2) = 8.78548; con( 9, 2) = -.22274
      nexp( 9, 3) = 4; esp( 9, 3) = 5.40496; con( 9, 3) =  .21874
      nexp( 9, 4) = 4; esp( 9, 4) = 3.43781; con( 9, 4) =  .54488
      nexp( 9, 5) = 4; esp( 9, 5) = 1.73097; con( 9, 5) =  .43752
    case(46)
      norb =  9
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) = 9
      nexp( 1, 1) = 1; esp( 1, 1) =47.17760; con( 1, 1) =  .86380
      nexp( 1, 2) = 1; esp( 1, 2) =32.33280; con( 1, 2) =  .15453
      nexp( 1, 3) = 2; esp( 1, 3) =21.43550; con( 1, 3) = -.16870
      nexp( 1, 4) = 2; esp( 1, 4) =20.13080; con( 1, 4) =  .15729
      nexp( 1, 5) = 3; esp( 1, 5) =14.88960; con( 1, 5) = -.00977
      nexp( 1, 6) = 3; esp( 1, 6) = 9.83750; con( 1, 6) =  .00285
      nexp( 1, 7) = 4; esp( 1, 7) = 5.67422; con( 1, 7) = -.00095
      nexp( 1, 8) = 4; esp( 1, 8) = 3.89395; con( 1, 8) =  .00083
      nexp( 1, 9) = 4; esp( 1, 9) = 2.87094; con( 1, 9) = -.00033
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) = 9
      nexp( 2, 1) = 1; esp( 2, 1) =47.17760; con( 2, 1) =  .02643
      nexp( 2, 2) = 1; esp( 2, 2) =32.33280; con( 2, 2) =  .49240
      nexp( 2, 3) = 2; esp( 2, 3) =21.43550; con( 2, 3) =  .05505
      nexp( 2, 4) = 2; esp( 2, 4) =20.13080; con( 2, 4) =-1.23058
      nexp( 2, 5) = 3; esp( 2, 5) =14.88960; con( 2, 5) = -.05335
      nexp( 2, 6) = 3; esp( 2, 6) = 9.83750; con( 2, 6) =  .00379
      nexp( 2, 7) = 4; esp( 2, 7) = 5.67422; con( 2, 7) = -.00073
      nexp( 2, 8) = 4; esp( 2, 8) = 3.89395; con( 2, 8) =  .00068
      nexp( 2, 9) = 4; esp( 2, 9) = 2.87094; con( 2, 9) = -.00025
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) = 9
      nexp( 3, 1) = 1; esp( 3, 1) =47.17760; con( 3, 1) = -.00814
      nexp( 3, 2) = 1; esp( 3, 2) =32.33280; con( 3, 2) = -.21823
      nexp( 3, 3) = 2; esp( 3, 3) =21.43550; con( 3, 3) =-1.26063
      nexp( 3, 4) = 2; esp( 3, 4) =20.13080; con( 3, 4) = 1.99543
      nexp( 3, 5) = 3; esp( 3, 5) =14.88960; con( 3, 5) = -.07270
      nexp( 3, 6) = 3; esp( 3, 6) = 9.83750; con( 3, 6) =-1.13346
      nexp( 3, 7) = 4; esp( 3, 7) = 5.67422; con( 3, 7) = -.03059
      nexp( 3, 8) = 4; esp( 3, 8) = 3.89395; con( 3, 8) =  .01125
      nexp( 3, 9) = 4; esp( 3, 9) = 2.87094; con( 3, 9) = -.00382
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) = 9
      nexp( 4, 1) = 1; esp( 4, 1) =47.17760; con( 4, 1) = -.00117
      nexp( 4, 2) = 1; esp( 4, 2) =32.33280; con( 4, 2) = -.09331
      nexp( 4, 3) = 2; esp( 4, 3) =21.43550; con( 4, 3) = -.51384
      nexp( 4, 4) = 2; esp( 4, 4) =20.13080; con( 4, 4) =  .82277
      nexp( 4, 5) = 3; esp( 4, 5) =14.88960; con( 4, 5) =  .02416
      nexp( 4, 6) = 3; esp( 4, 6) = 9.83750; con( 4, 6) = -.68978
      nexp( 4, 7) = 4; esp( 4, 7) = 5.67422; con( 4, 7) =  .75458
      nexp( 4, 8) = 4; esp( 4, 8) = 3.89395; con( 4, 8) =  .40375
      nexp( 4, 9) = 4; esp( 4, 9) = 2.87094; con( 4, 9) =  .04127
      nprin( 5) = 2; nazim( 5) = 1; nconf( 5) = 6; nterm( 5) = 7
      nexp( 5, 1) = 2; esp( 5, 1) =30.03560; con( 5, 1) = -.13288
      nexp( 5, 2) = 2; esp( 5, 2) =19.52630; con( 5, 2) = -.86863
      nexp( 5, 3) = 3; esp( 5, 3) =10.61360; con( 5, 3) = -.03590
      nexp( 5, 4) = 3; esp( 5, 4) = 8.24787; con( 5, 4) =  .02034
      nexp( 5, 5) = 4; esp( 5, 5) = 5.80312; con( 5, 5) = -.00417
      nexp( 5, 6) = 4; esp( 5, 6) = 3.85593; con( 5, 6) =  .00178
      nexp( 5, 7) = 4; esp( 5, 7) = 2.49634; con( 5, 7) = -.00044
      nprin( 6) = 3; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =30.03560; con( 6, 1) =  .03084
      nexp( 6, 2) = 2; esp( 6, 2) =19.52630; con( 6, 2) =  .46826
      nexp( 6, 3) = 3; esp( 6, 3) =10.61360; con( 6, 3) = -.73861
      nexp( 6, 4) = 3; esp( 6, 4) = 8.24787; con( 6, 4) = -.38299
      nexp( 6, 5) = 4; esp( 6, 5) = 5.80312; con( 6, 5) = -.01739
      nexp( 6, 6) = 4; esp( 6, 6) = 3.85593; con( 6, 6) =  .00331
      nexp( 6, 7) = 4; esp( 6, 7) = 2.49634; con( 6, 7) = -.00127
      nprin( 7) = 4; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =30.03560; con( 7, 1) =  .00968
      nexp( 7, 2) = 2; esp( 7, 2) =19.52630; con( 7, 2) =  .18704
      nexp( 7, 3) = 3; esp( 7, 3) =10.61360; con( 7, 3) = -.29731
      nexp( 7, 4) = 3; esp( 7, 4) = 8.24787; con( 7, 4) = -.28295
      nexp( 7, 5) = 4; esp( 7, 5) = 5.80312; con( 7, 5) =  .56281
      nexp( 7, 6) = 4; esp( 7, 6) = 3.85593; con( 7, 6) =  .55483
      nexp( 7, 7) = 4; esp( 7, 7) = 2.49634; con( 7, 7) =  .09703
      nprin( 8) = 3; nazim( 8) = 2; nconf( 8) =10; nterm( 8) = 5
      nexp( 8, 1) = 3; esp( 8, 1) =16.11630; con( 8, 1) =  .23017
      nexp( 8, 2) = 3; esp( 8, 2) = 9.10001; con( 8, 2) =  .78114
      nexp( 8, 3) = 4; esp( 8, 3) = 5.79000; con( 8, 3) =  .06224
      nexp( 8, 4) = 4; esp( 8, 4) = 3.47691; con( 8, 4) = -.00726
      nexp( 8, 5) = 4; esp( 8, 5) = 1.73789; con( 8, 5) =  .00134
      nprin( 9) = 4; nazim( 9) = 2; nconf( 9) =10; nterm( 9) = 5
      nexp( 9, 1) = 3; esp( 9, 1) =16.11630; con( 9, 1) = -.06849
      nexp( 9, 2) = 3; esp( 9, 2) = 9.10001; con( 9, 2) = -.23809
      nexp( 9, 3) = 4; esp( 9, 3) = 5.79000; con( 9, 3) =  .23909
      nexp( 9, 4) = 4; esp( 9, 4) = 3.47691; con( 9, 4) =  .58889
      nexp( 9, 5) = 4; esp( 9, 5) = 1.73789; con( 9, 5) =  .38367
    case(47)
      norb = 10
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =48.27140; con( 1, 1) =  .85321
      nexp( 1, 2) = 1; esp( 1, 2) =34.04940; con( 1, 2) =  .16287
      nexp( 1, 3) = 2; esp( 1, 3) =21.93670; con( 1, 3) = -.28452
      nexp( 1, 4) = 2; esp( 1, 4) =21.32090; con( 1, 4) =  .27326
      nexp( 1, 5) = 3; esp( 1, 5) =14.14920; con( 1, 5) = -.00757
      nexp( 1, 6) = 3; esp( 1, 6) =10.13800; con( 1, 6) =  .00328
      nexp( 1, 7) = 4; esp( 1, 7) = 5.87182; con( 1, 7) = -.00088
      nexp( 1, 8) = 4; esp( 1, 8) = 3.98770; con( 1, 8) =  .00058
      nexp( 1, 9) = 5; esp( 1, 9) = 2.66401; con( 1, 9) = -.00024
      nexp( 1,10) = 5; esp( 1,10) = 1.65008; con( 1,10) =  .00013
      nexp( 1,11) = 5; esp( 1,11) = 1.04186; con( 1,11) = -.00005
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =48.27140; con( 2, 1) =  .01541
      nexp( 2, 2) = 1; esp( 2, 2) =34.04940; con( 2, 2) =  .48995
      nexp( 2, 3) = 2; esp( 2, 3) =21.93670; con( 2, 3) = 1.81227
      nexp( 2, 4) = 2; esp( 2, 4) =21.32090; con( 2, 4) =-2.97601
      nexp( 2, 5) = 3; esp( 2, 5) =14.14920; con( 2, 5) = -.05501
      nexp( 2, 6) = 3; esp( 2, 6) =10.13800; con( 2, 6) =  .01094
      nexp( 2, 7) = 4; esp( 2, 7) = 5.87182; con( 2, 7) = -.00178
      nexp( 2, 8) = 4; esp( 2, 8) = 3.98770; con( 2, 8) =  .00118
      nexp( 2, 9) = 5; esp( 2, 9) = 2.66401; con( 2, 9) = -.00045
      nexp( 2,10) = 5; esp( 2,10) = 1.65008; con( 2,10) =  .00024
      nexp( 2,11) = 5; esp( 2,11) = 1.04186; con( 2,11) = -.00008
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =48.27140; con( 3, 1) =  .00405
      nexp( 3, 2) = 1; esp( 3, 2) =34.04940; con( 3, 2) =  .21698
      nexp( 3, 3) = 2; esp( 3, 3) =21.93670; con( 3, 3) = 3.45888
      nexp( 3, 4) = 2; esp( 3, 4) =21.32090; con( 3, 4) =-4.17359
      nexp( 3, 5) = 3; esp( 3, 5) =14.14920; con( 3, 5) =  .04946
      nexp( 3, 6) = 3; esp( 3, 6) =10.13800; con( 3, 6) = 1.13958
      nexp( 3, 7) = 4; esp( 3, 7) = 5.87182; con( 3, 7) =  .02993
      nexp( 3, 8) = 4; esp( 3, 8) = 3.98770; con( 3, 8) = -.00847
      nexp( 3, 9) = 5; esp( 3, 9) = 2.66401; con( 3, 9) =  .00277
      nexp( 3,10) = 5; esp( 3,10) = 1.65008; con( 3,10) = -.00132
      nexp( 3,11) = 5; esp( 3,11) = 1.04186; con( 3,11) =  .00044
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =48.27140; con( 4, 1) = -.00037
      nexp( 4, 2) = 1; esp( 4, 2) =34.04940; con( 4, 2) = -.09248
      nexp( 4, 3) = 2; esp( 4, 3) =21.93670; con( 4, 3) =-1.55034
      nexp( 4, 4) = 2; esp( 4, 4) =21.32090; con( 4, 4) = 1.86019
      nexp( 4, 5) = 3; esp( 4, 5) =14.14920; con( 4, 5) =  .04019
      nexp( 4, 6) = 3; esp( 4, 6) =10.13800; con( 4, 6) = -.71940
      nexp( 4, 7) = 4; esp( 4, 7) = 5.87182; con( 4, 7) =  .77034
      nexp( 4, 8) = 4; esp( 4, 8) = 3.98770; con( 4, 8) =  .42464
      nexp( 4, 9) = 5; esp( 4, 9) = 2.66401; con( 4, 9) =  .01133
      nexp( 4,10) = 5; esp( 4,10) = 1.65008; con( 4,10) = -.00164
      nexp( 4,11) = 5; esp( 4,11) = 1.04186; con( 4,11) =  .00074
      nprin( 5) = 5; nazim( 5) = 0; nconf( 5) = 1; nterm( 5) =11
      nexp( 5, 1) = 1; esp( 5, 1) =48.27140; con( 5, 1) = -.00019
      nexp( 5, 2) = 1; esp( 5, 2) =34.04940; con( 5, 2) =  .01987
      nexp( 5, 3) = 2; esp( 5, 3) =21.93670; con( 5, 3) =  .31024
      nexp( 5, 4) = 2; esp( 5, 4) =21.32090; con( 5, 4) = -.37499
      nexp( 5, 5) = 3; esp( 5, 5) =14.14920; con( 5, 5) = -.01483
      nexp( 5, 6) = 3; esp( 5, 6) =10.13800; con( 5, 6) =  .16544
      nexp( 5, 7) = 4; esp( 5, 7) = 5.87182; con( 5, 7) = -.21760
      nexp( 5, 8) = 4; esp( 5, 8) = 3.98770; con( 5, 8) = -.05567
      nexp( 5, 9) = 5; esp( 5, 9) = 2.66401; con( 5, 9) =  .25280
      nexp( 5,10) = 5; esp( 5,10) = 1.65008; con( 5,10) =  .51023
      nexp( 5,11) = 5; esp( 5,11) = 1.04186; con( 5,11) =  .39485
      nprin( 6) = 2; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =30.61540; con( 6, 1) = -.13383
      nexp( 6, 2) = 2; esp( 6, 2) =19.99580; con( 6, 2) = -.86745
      nexp( 6, 3) = 3; esp( 6, 3) =11.00880; con( 6, 3) = -.03675
      nexp( 6, 4) = 3; esp( 6, 4) = 8.86584; con( 6, 4) =  .02046
      nexp( 6, 5) = 4; esp( 6, 5) = 5.90958; con( 6, 5) = -.00291
      nexp( 6, 6) = 4; esp( 6, 6) = 3.92436; con( 6, 6) =  .00130
      nexp( 6, 7) = 4; esp( 6, 7) = 2.55069; con( 6, 7) = -.00032
      nprin( 7) = 3; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =30.61540; con( 7, 1) =  .03049
      nexp( 7, 2) = 2; esp( 7, 2) =19.99580; con( 7, 2) =  .47268
      nexp( 7, 3) = 3; esp( 7, 3) =11.00880; con( 7, 3) = -.65496
      nexp( 7, 4) = 3; esp( 7, 4) = 8.86584; con( 7, 4) = -.46200
      nexp( 7, 5) = 4; esp( 7, 5) = 5.90958; con( 7, 5) = -.02649
      nexp( 7, 6) = 4; esp( 7, 6) = 3.92436; con( 7, 6) =  .00687
      nexp( 7, 7) = 4; esp( 7, 7) = 2.55069; con( 7, 7) = -.00213
      nprin( 8) = 4; nazim( 8) = 1; nconf( 8) = 6; nterm( 8) = 7
      nexp( 8, 1) = 2; esp( 8, 1) =30.61540; con( 8, 1) =  .00947
      nexp( 8, 2) = 2; esp( 8, 2) =19.99580; con( 8, 2) =  .19286
      nexp( 8, 3) = 3; esp( 8, 3) =11.00880; con( 8, 3) = -.26069
      nexp( 8, 4) = 3; esp( 8, 4) = 8.86584; con( 8, 4) = -.32251
      nexp( 8, 5) = 4; esp( 8, 5) = 5.90958; con( 8, 5) =  .59654
      nexp( 8, 6) = 4; esp( 8, 6) = 3.92436; con( 8, 6) =  .53658
      nexp( 8, 7) = 4; esp( 8, 7) = 2.55069; con( 8, 7) =  .07101
      nprin( 9) = 3; nazim( 9) = 2; nconf( 9) =10; nterm( 9) = 5
      nexp( 9, 1) = 3; esp( 9, 1) =16.46200; con( 9, 1) =  .23488
      nexp( 9, 2) = 3; esp( 9, 2) = 9.36028; con( 9, 2) =  .78019
      nexp( 9, 3) = 4; esp( 9, 3) = 5.93684; con( 9, 3) =  .05511
      nexp( 9, 4) = 4; esp( 9, 4) = 3.53384; con( 9, 4) = -.00618
      nexp( 9, 5) = 4; esp( 9, 5) = 1.88607; con( 9, 5) =  .00117
      nprin(10) = 4; nazim(10) = 2; nconf(10) =10; nterm(10) = 5
      nexp(10, 1) = 3; esp(10, 1) =16.46200; con(10, 1) = -.07446
      nexp(10, 2) = 3; esp(10, 2) = 9.36028; con(10, 2) = -.25709
      nexp(10, 3) = 4; esp(10, 3) = 5.93684; con(10, 3) =  .29070
      nexp(10, 4) = 4; esp(10, 4) = 3.53384; con(10, 4) =  .60532
      nexp(10, 5) = 4; esp(10, 5) = 1.88607; con(10, 5) =  .30158
    case(48)
      norb = 10
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =49.23600; con( 1, 1) =  .86581
      nexp( 1, 2) = 1; esp( 1, 2) =33.05620; con( 1, 2) =  .15625
      nexp( 1, 3) = 2; esp( 1, 3) =23.46380; con( 1, 3) = -.10878
      nexp( 1, 4) = 2; esp( 1, 4) =21.02170; con( 1, 4) =  .09218
      nexp( 1, 5) = 3; esp( 1, 5) =14.73870; con( 1, 5) = -.01008
      nexp( 1, 6) = 3; esp( 1, 6) =10.45450; con( 1, 6) =  .00412
      nexp( 1, 7) = 4; esp( 1, 7) = 6.08432; con( 1, 7) = -.00103
      nexp( 1, 8) = 4; esp( 1, 8) = 4.13285; con( 1, 8) =  .00061
      nexp( 1, 9) = 5; esp( 1, 9) = 2.48431; con( 1, 9) = -.00021
      nexp( 1,10) = 5; esp( 1,10) = 1.46842; con( 1,10) =  .00013
      nexp( 1,11) = 5; esp( 1,11) =  .97250; con( 1,11) = -.00006
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =49.23600; con( 2, 1) =  .03257
      nexp( 2, 2) = 1; esp( 2, 2) =33.05620; con( 2, 2) =  .49876
      nexp( 2, 3) = 2; esp( 2, 3) =23.46380; con( 2, 3) = -.02627
      nexp( 2, 4) = 2; esp( 2, 4) =21.02170; con( 2, 4) =-1.16538
      nexp( 2, 5) = 3; esp( 2, 5) =14.73870; con( 2, 5) = -.05705
      nexp( 2, 6) = 3; esp( 2, 6) =10.45450; con( 2, 6) =  .01172
      nexp( 2, 7) = 4; esp( 2, 7) = 6.08432; con( 2, 7) = -.00223
      nexp( 2, 8) = 4; esp( 2, 8) = 4.13285; con( 2, 8) =  .00136
      nexp( 2, 9) = 5; esp( 2, 9) = 2.48431; con( 2, 9) = -.00046
      nexp( 2,10) = 5; esp( 2,10) = 1.46842; con( 2,10) =  .00029
      nexp( 2,11) = 5; esp( 2,11) =  .97250; con( 2,11) = -.00013
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =49.23600; con( 3, 1) = -.01227
      nexp( 3, 2) = 1; esp( 3, 2) =33.05620; con( 3, 2) = -.22108
      nexp( 3, 3) = 2; esp( 3, 3) =23.46380; con( 3, 3) = -.62069
      nexp( 3, 4) = 2; esp( 3, 4) =21.02170; con( 3, 4) = 1.35240
      nexp( 3, 5) = 3; esp( 3, 5) =14.73870; con( 3, 5) = -.03310
      nexp( 3, 6) = 3; esp( 3, 6) =10.45450; con( 3, 6) =-1.15754
      nexp( 3, 7) = 4; esp( 3, 7) = 6.08432; con( 3, 7) = -.02824
      nexp( 3, 8) = 4; esp( 3, 8) = 4.13285; con( 3, 8) =  .00644
      nexp( 3, 9) = 5; esp( 3, 9) = 2.48431; con( 3, 9) = -.00168
      nexp( 3,10) = 5; esp( 3,10) = 1.46842; con( 3,10) =  .00096
      nexp( 3,11) = 5; esp( 3,11) =  .97250; con( 3,11) = -.00040
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =49.23600; con( 4, 1) = -.00350
      nexp( 4, 2) = 1; esp( 4, 2) =33.05620; con( 4, 2) = -.09634
      nexp( 4, 3) = 2; esp( 4, 3) =23.46380; con( 4, 3) = -.27657
      nexp( 4, 4) = 2; esp( 4, 4) =21.02170; con( 4, 4) =  .59663
      nexp( 4, 5) = 3; esp( 4, 5) =14.73870; con( 4, 5) =  .05511
      nexp( 4, 6) = 3; esp( 4, 6) =10.45450; con( 4, 6) = -.74768
      nexp( 4, 7) = 4; esp( 4, 7) = 6.08432; con( 4, 7) =  .78190
      nexp( 4, 8) = 4; esp( 4, 8) = 4.13285; con( 4, 8) =  .42395
      nexp( 4, 9) = 5; esp( 4, 9) = 2.48431; con( 4, 9) =  .00409
      nexp( 4,10) = 5; esp( 4,10) = 1.46842; con( 4,10) = -.00053
      nexp( 4,11) = 5; esp( 4,11) =  .97250; con( 4,11) =  .00017
      nprin( 5) = 5; nazim( 5) = 0; nconf( 5) = 2; nterm( 5) =11
      nexp( 5, 1) = 1; esp( 5, 1) =49.23600; con( 5, 1) =  .00006
      nexp( 5, 2) = 1; esp( 5, 2) =33.05620; con( 5, 2) =  .02428
      nexp( 5, 3) = 2; esp( 5, 3) =23.46380; con( 5, 3) =  .05165
      nexp( 5, 4) = 2; esp( 5, 4) =21.02170; con( 5, 4) = -.12614
      nexp( 5, 5) = 3; esp( 5, 5) =14.73870; con( 5, 5) = -.02625
      nexp( 5, 6) = 3; esp( 5, 6) =10.45450; con( 5, 6) =  .20087
      nexp( 5, 7) = 4; esp( 5, 7) = 6.08432; con( 5, 7) = -.26528
      nexp( 5, 8) = 4; esp( 5, 8) = 4.13285; con( 5, 8) = -.03745
      nexp( 5, 9) = 5; esp( 5, 9) = 2.48431; con( 5, 9) =  .46040
      nexp( 5,10) = 5; esp( 5,10) = 1.46842; con( 5,10) =  .54846
      nexp( 5,11) = 5; esp( 5,11) =  .97250; con( 5,11) =  .13333
      nprin( 6) = 2; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 7
      nexp( 6, 1) = 2; esp( 6, 1) =31.22510; con( 6, 1) = -.13405
      nexp( 6, 2) = 2; esp( 6, 2) =20.47030; con( 6, 2) = -.86694
      nexp( 6, 3) = 3; esp( 6, 3) =11.48860; con( 6, 3) = -.03642
      nexp( 6, 4) = 3; esp( 6, 4) = 9.46699; con( 6, 4) =  .01995
      nexp( 6, 5) = 4; esp( 6, 5) = 6.02421; con( 6, 5) = -.00198
      nexp( 6, 6) = 4; esp( 6, 6) = 3.97808; con( 6, 6) =  .00123
      nexp( 6, 7) = 4; esp( 6, 7) = 3.17360; con( 6, 7) = -.00049
      nprin( 7) = 3; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 7
      nexp( 7, 1) = 2; esp( 7, 1) =31.22510; con( 7, 1) =  .02966
      nexp( 7, 2) = 2; esp( 7, 2) =20.47030; con( 7, 2) =  .47797
      nexp( 7, 3) = 3; esp( 7, 3) =11.48860; con( 7, 3) = -.53438
      nexp( 7, 4) = 3; esp( 7, 4) = 9.46699; con( 7, 4) = -.58057
      nexp( 7, 5) = 4; esp( 7, 5) = 6.02421; con( 7, 5) = -.03359
      nexp( 7, 6) = 4; esp( 7, 6) = 3.97808; con( 7, 6) =  .01488
      nexp( 7, 7) = 4; esp( 7, 7) = 3.17360; con( 7, 7) = -.00691
      nprin( 8) = 4; nazim( 8) = 1; nconf( 8) = 6; nterm( 8) = 7
      nexp( 8, 1) = 2; esp( 8, 1) =31.22510; con( 8, 1) =  .00951
      nexp( 8, 2) = 2; esp( 8, 2) =20.47030; con( 8, 2) =  .19809
      nexp( 8, 3) = 3; esp( 8, 3) =11.48860; con( 8, 3) = -.19508
      nexp( 8, 4) = 3; esp( 8, 4) = 9.46699; con( 8, 4) = -.39801
      nexp( 8, 5) = 4; esp( 8, 5) = 6.02421; con( 8, 5) =  .65712
      nexp( 8, 6) = 4; esp( 8, 6) = 3.97808; con( 8, 6) =  .44871
      nexp( 8, 7) = 4; esp( 8, 7) = 3.17360; con( 8, 7) =  .09355
      nprin( 9) = 3; nazim( 9) = 2; nconf( 9) =10; nterm( 9) = 5
      nexp( 9, 1) = 3; esp( 9, 1) =16.76950; con( 9, 1) =  .26158
      nexp( 9, 2) = 3; esp( 9, 2) = 9.29293; con( 9, 2) =  .78571
      nexp( 9, 3) = 4; esp( 9, 3) = 5.52892; con( 9, 3) =  .00683
      nexp( 9, 4) = 4; esp( 9, 4) = 3.19716; con( 9, 4) =  .01135
      nexp( 9, 5) = 4; esp( 9, 5) = 1.85909; con( 9, 5) = -.00522
      nprin(10) = 4; nazim(10) = 2; nconf(10) =10; nterm(10) = 5
      nexp(10, 1) = 3; esp(10, 1) =16.76950; con(10, 1) = -.09052
      nexp(10, 2) = 3; esp(10, 2) = 9.29293; con(10, 2) = -.26251
      nexp(10, 3) = 4; esp(10, 3) = 5.52892; con(10, 3) =  .48577
      nexp(10, 4) = 4; esp(10, 4) = 3.19716; con(10, 4) =  .54271
      nexp(10, 5) = 4; esp(10, 5) = 1.85909; con(10, 5) =  .16015
    case(49)
      norb = 11
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =51.54130; con( 1, 1) =  .68966
      nexp( 1, 2) = 1; esp( 1, 2) =39.87640; con( 1, 2) =  .33380
      nexp( 1, 3) = 2; esp( 1, 3) =33.32180; con( 1, 3) = -.03659
      nexp( 1, 4) = 2; esp( 1, 4) =23.91180; con( 1, 4) =  .01539
      nexp( 1, 5) = 3; esp( 1, 5) =20.59930; con( 1, 5) = -.00358
      nexp( 1, 6) = 3; esp( 1, 6) =10.91620; con( 1, 6) =  .00040
      nexp( 1, 7) = 4; esp( 1, 7) = 6.09269; con( 1, 7) = -.00025
      nexp( 1, 8) = 4; esp( 1, 8) = 3.99176; con( 1, 8) =  .00028
      nexp( 1, 9) = 5; esp( 1, 9) = 3.34341; con( 1, 9) = -.00019
      nexp( 1,10) = 5; esp( 1,10) = 2.16245; con( 1,10) =  .00007
      nexp( 1,11) = 5; esp( 1,11) = 1.34820; con( 1,11) = -.00002
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =51.54130; con( 2, 1) =  .00637
      nexp( 2, 2) = 1; esp( 2, 2) =39.87640; con( 2, 2) =  .42568
      nexp( 2, 3) = 2; esp( 2, 3) =33.32180; con( 2, 3) =  .21484
      nexp( 2, 4) = 2; esp( 2, 4) =23.91180; con( 2, 4) =-1.09387
      nexp( 2, 5) = 3; esp( 2, 5) =20.59930; con( 2, 5) = -.25842
      nexp( 2, 6) = 3; esp( 2, 6) =10.91620; con( 2, 6) = -.00484
      nexp( 2, 7) = 4; esp( 2, 7) = 6.09269; con( 2, 7) =  .00168
      nexp( 2, 8) = 4; esp( 2, 8) = 3.99176; con( 2, 8) = -.00158
      nexp( 2, 9) = 5; esp( 2, 9) = 3.34341; con( 2, 9) =  .00101
      nexp( 2,10) = 5; esp( 2,10) = 2.16245; con( 2,10) = -.00037
      nexp( 2,11) = 5; esp( 2,11) = 1.34820; con( 2,11) =  .00010
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =51.54130; con( 3, 1) =  .01992
      nexp( 3, 2) = 1; esp( 3, 2) =39.87640; con( 3, 2) =  .16143
      nexp( 3, 3) = 2; esp( 3, 3) =33.32180; con( 3, 3) =  .17298
      nexp( 3, 4) = 2; esp( 3, 4) =23.91180; con( 3, 4) = -.61974
      nexp( 3, 5) = 3; esp( 3, 5) =20.59930; con( 3, 5) = -.26956
      nexp( 3, 6) = 3; esp( 3, 6) =10.91620; con( 3, 6) = 1.20459
      nexp( 3, 7) = 4; esp( 3, 7) = 6.09269; con( 3, 7) =  .04834
      nexp( 3, 8) = 4; esp( 3, 8) = 3.99176; con( 3, 8) = -.02795
      nexp( 3, 9) = 5; esp( 3, 9) = 3.34341; con( 3, 9) =  .01503
      nexp( 3,10) = 5; esp( 3,10) = 2.16245; con( 3,10) = -.00474
      nexp( 3,11) = 5; esp( 3,11) = 1.34820; con( 3,11) =  .00124
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =51.54130; con( 4, 1) =  .00732
      nexp( 4, 2) = 1; esp( 4, 2) =39.87640; con( 4, 2) = -.09231
      nexp( 4, 3) = 2; esp( 4, 3) =33.32180; con( 4, 3) = -.03719
      nexp( 4, 4) = 2; esp( 4, 4) =23.91180; con( 4, 4) =  .21817
      nexp( 4, 5) = 3; esp( 4, 5) =20.59930; con( 4, 5) =  .18834
      nexp( 4, 6) = 3; esp( 4, 6) =10.91620; con( 4, 6) = -.73739
      nexp( 4, 7) = 4; esp( 4, 7) = 6.09269; con( 4, 7) =  .85938
      nexp( 4, 8) = 4; esp( 4, 8) = 3.99176; con( 4, 8) =  .36057
      nexp( 4, 9) = 5; esp( 4, 9) = 3.34341; con( 4, 9) = -.03686
      nexp( 4,10) = 5; esp( 4,10) = 2.16245; con( 4,10) =  .00921
      nexp( 4,11) = 5; esp( 4,11) = 1.34820; con( 4,11) = -.00212
      nprin( 5) = 5; nazim( 5) = 0; nconf( 5) = 2; nterm( 5) =11
      nexp( 5, 1) = 1; esp( 5, 1) =51.54130; con( 5, 1) = -.00289
      nexp( 5, 2) = 1; esp( 5, 2) =39.87640; con( 5, 2) =  .02621
      nexp( 5, 3) = 2; esp( 5, 3) =33.32180; con( 5, 3) =  .00769
      nexp( 5, 4) = 2; esp( 5, 4) =23.91180; con( 5, 4) = -.05563
      nexp( 5, 5) = 3; esp( 5, 5) =20.59930; con( 5, 5) = -.05530
      nexp( 5, 6) = 3; esp( 5, 6) =10.91620; con( 5, 6) =  .21149
      nexp( 5, 7) = 4; esp( 5, 7) = 6.09269; con( 5, 7) = -.29992
      nexp( 5, 8) = 4; esp( 5, 8) = 3.99176; con( 5, 8) = -.08229
      nexp( 5, 9) = 5; esp( 5, 9) = 3.34341; con( 5, 9) =  .22314
      nexp( 5,10) = 5; esp( 5,10) = 2.16245; con( 5,10) =  .57994
      nexp( 5,11) = 5; esp( 5,11) = 1.34820; con( 5,11) =  .36972
      nprin( 6) = 2; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =30.25110; con( 6, 1) =  .18582
      nexp( 6, 2) = 2; esp( 6, 2) =20.51010; con( 6, 2) =  .82208
      nexp( 6, 3) = 3; esp( 6, 3) =11.80560; con( 6, 3) =  .01213
      nexp( 6, 4) = 3; esp( 6, 4) = 9.54601; con( 6, 4) = -.00107
      nexp( 6, 5) = 4; esp( 6, 5) = 6.32791; con( 6, 5) = -.00196
      nexp( 6, 6) = 4; esp( 6, 6) = 4.19372; con( 6, 6) =  .00137
      nexp( 6, 7) = 5; esp( 6, 7) = 3.04380; con( 6, 7) = -.00060
      nexp( 6, 8) = 5; esp( 6, 8) = 1.69398; con( 6, 8) =  .00023
      nexp( 6, 9) = 5; esp( 6, 9) =  .99207; con( 6, 9) = -.00008
      nprin( 7) = 3; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =30.25110; con( 7, 1) = -.04630
      nexp( 7, 2) = 2; esp( 7, 2) =20.51010; con( 7, 2) = -.47317
      nexp( 7, 3) = 3; esp( 7, 3) =11.80560; con( 7, 3) =  .60312
      nexp( 7, 4) = 3; esp( 7, 4) = 9.54601; con( 7, 4) =  .52528
      nexp( 7, 5) = 4; esp( 7, 5) = 6.32791; con( 7, 5) =  .02725
      nexp( 7, 6) = 4; esp( 7, 6) = 4.19372; con( 7, 6) = -.00687
      nexp( 7, 7) = 5; esp( 7, 7) = 3.04380; con( 7, 7) =  .00244
      nexp( 7, 8) = 5; esp( 7, 8) = 1.69398; con( 7, 8) = -.00080
      nexp( 7, 9) = 5; esp( 7, 9) =  .99207; con( 7, 9) =  .00028
      nprin( 8) = 4; nazim( 8) = 1; nconf( 8) = 6; nterm( 8) = 9
      nexp( 8, 1) = 2; esp( 8, 1) =30.25110; con( 8, 1) =  .01563
      nexp( 8, 2) = 2; esp( 8, 2) =20.51010; con( 8, 2) =  .20165
      nexp( 8, 3) = 3; esp( 8, 3) =11.80560; con( 8, 3) = -.23651
      nexp( 8, 4) = 3; esp( 8, 4) = 9.54601; con( 8, 4) = -.38218
      nexp( 8, 5) = 4; esp( 8, 5) = 6.32791; con( 8, 5) =  .62892
      nexp( 8, 6) = 4; esp( 8, 6) = 4.19372; con( 8, 6) =  .55232
      nexp( 8, 7) = 5; esp( 8, 7) = 3.04380; con( 8, 7) =  .02880
      nexp( 8, 8) = 5; esp( 8, 8) = 1.69398; con( 8, 8) =  .00185
      nexp( 8, 9) = 5; esp( 8, 9) =  .99207; con( 8, 9) = -.00028
      nprin( 9) = 5; nazim( 9) = 1; nconf( 9) = 1; nterm( 9) = 9
      nexp( 9, 1) = 2; esp( 9, 1) =30.25110; con( 9, 1) = -.00266
      nexp( 9, 2) = 2; esp( 9, 2) =20.51010; con( 9, 2) = -.04107
      nexp( 9, 3) = 3; esp( 9, 3) =11.80560; con( 9, 3) =  .05254
      nexp( 9, 4) = 3; esp( 9, 4) = 9.54601; con( 9, 4) =  .07303
      nexp( 9, 5) = 4; esp( 9, 5) = 6.32791; con( 9, 5) = -.13994
      nexp( 9, 6) = 4; esp( 9, 6) = 4.19372; con( 9, 6) = -.13391
      nexp( 9, 7) = 5; esp( 9, 7) = 3.04380; con( 9, 7) =  .17634
      nexp( 9, 8) = 5; esp( 9, 8) = 1.69398; con( 9, 8) =  .60102
      nexp( 9, 9) = 5; esp( 9, 9) =  .99207; con( 9, 9) =  .40498
      nprin(10) = 3; nazim(10) = 2; nconf(10) =10; nterm(10) = 5
      nexp(10, 1) = 3; esp(10, 1) =17.48610; con(10, 1) = -.22219
      nexp(10, 2) = 3; esp(10, 2) =10.04430; con(10, 2) = -.79160
      nexp(10, 3) = 4; esp(10, 3) = 5.99670; con(10, 3) = -.05960
      nexp(10, 4) = 4; esp(10, 4) = 3.68324; con(10, 4) =  .01615
      nexp(10, 5) = 4; esp(10, 5) = 2.22477; con(10, 5) = -.00457
      nprin(11) = 4; nazim(11) = 1; nconf(11) =10; nterm(11) = 5
      nexp(11, 1) = 3; esp(11, 1) =17.48610; con(11, 1) = -.08085
      nexp(11, 2) = 3; esp(11, 2) =10.04430; con(11, 2) = -.28228
      nexp(11, 3) = 4; esp(11, 3) = 5.99670; con(11, 3) =  .40630
      nexp(11, 4) = 4; esp(11, 4) = 3.68324; con(11, 4) =  .56839
      nexp(11, 5) = 4; esp(11, 5) = 2.22477; con(11, 5) =  .19205
  end select

  return
end

!***********************************************************************

subroutine clempar3(Z,norb,nprin,nazim,nconf,nterm,nexp,esp,con)

  use declarations
  implicit none
  
  integer, parameter:: norbm = 11
  integer, parameter:: ntrm = 11

  integer:: ipr, norb, Z
  
  integer, dimension(norbm):: nazim, nconf, nprin, nterm
  integer, dimension(norbm,ntrm):: nexp

  real(kind=db), dimension(norbm,ntrm):: esp, con

  select case(Z)

    case(50)
      norb = 11
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =51.24680; con( 1, 1) =  .86794
      nexp( 1, 2) = 1; esp( 1, 2) =34.83590; con( 1, 2) =  .15221
      nexp( 1, 3) = 2; esp( 1, 3) =24.80250; con( 1, 3) = -.08713
      nexp( 1, 4) = 2; esp( 1, 4) =21.88120; con( 1, 4) =  .07211
      nexp( 1, 5) = 3; esp( 1, 5) =15.46340; con( 1, 5) = -.00947
      nexp( 1, 6) = 3; esp( 1, 6) =11.12930; con( 1, 6) =  .00410
      nexp( 1, 7) = 4; esp( 1, 7) = 6.54571; con( 1, 7) = -.00119
      nexp( 1, 8) = 4; esp( 1, 8) = 4.60056; con( 1, 8) =  .00082
      nexp( 1, 9) = 5; esp( 1, 9) = 3.04899; con( 1, 9) = -.00034
      nexp( 1,10) = 5; esp( 1,10) = 1.98832; con( 1,10) =  .00021
      nexp( 1,11) = 5; esp( 1,11) = 1.33764; con( 1,11) = -.00008
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =51.24680; con( 2, 1) =  .02601
      nexp( 2, 2) = 1; esp( 2, 2) =34.83590; con( 2, 2) =  .50368
      nexp( 2, 3) = 2; esp( 2, 3) =24.80250; con( 2, 3) = -.03004
      nexp( 2, 4) = 2; esp( 2, 4) =21.88120; con( 2, 4) =-1.16236
      nexp( 2, 5) = 3; esp( 2, 5) =15.46340; con( 2, 5) = -.05107
      nexp( 2, 6) = 3; esp( 2, 6) =11.12930; con( 2, 6) =  .00982
      nexp( 2, 7) = 4; esp( 2, 7) = 6.54571; con( 2, 7) = -.00176
      nexp( 2, 8) = 4; esp( 2, 8) = 4.60056; con( 2, 8) =  .00123
      nexp( 2, 9) = 5; esp( 2, 9) = 3.04899; con( 2, 9) = -.00048
      nexp( 2,10) = 5; esp( 2,10) = 1.98832; con( 2,10) =  .00029
      nexp( 2,11) = 5; esp( 2,11) = 1.33764; con( 2,11) = -.00011
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =51.24680; con( 3, 1) = -.00917
      nexp( 3, 2) = 1; esp( 3, 2) =34.83590; con( 3, 2) = -.22572
      nexp( 3, 3) = 2; esp( 3, 3) =24.80250; con( 3, 3) = -.52275
      nexp( 3, 4) = 2; esp( 3, 4) =21.88120; con( 3, 4) = 1.25758
      nexp( 3, 5) = 3; esp( 3, 5) =15.46340; con( 3, 5) =  .00855
      nexp( 3, 6) = 3; esp( 3, 6) =11.12930; con( 3, 6) =-1.19334
      nexp( 3, 7) = 4; esp( 3, 7) = 6.54571; con( 3, 7) = -.03711
      nexp( 3, 8) = 4; esp( 3, 8) = 4.60056; con( 3, 8) =  .01165
      nexp( 3, 9) = 5; esp( 3, 9) = 3.04899; con( 3, 9) = -.00364
      nexp( 3,10) = 5; esp( 3,10) = 1.98832; con( 3,10) =  .00201
      nexp( 3,11) = 5; esp( 3,11) = 1.33764; con( 3,11) = -.00068
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =51.24680; con( 4, 1) = -.00179
      nexp( 4, 2) = 1; esp( 4, 2) =34.83590; con( 4, 2) = -.10183
      nexp( 4, 3) = 2; esp( 4, 3) =24.80250; con( 4, 3) = -.23112
      nexp( 4, 4) = 2; esp( 4, 4) =21.88120; con( 4, 4) =  .56002
      nexp( 4, 5) = 3; esp( 4, 5) =15.46340; con( 4, 5) =  .09440
      nexp( 4, 6) = 3; esp( 4, 6) =11.12930; con( 4, 6) = -.81085
      nexp( 4, 7) = 4; esp( 4, 7) = 6.54571; con( 4, 7) =  .75650
      nexp( 4, 8) = 4; esp( 4, 8) = 4.60056; con( 4, 8) =  .45490
      nexp( 4, 9) = 5; esp( 4, 9) = 3.04899; con( 4, 9) =  .00540
      nexp( 4,10) = 5; esp( 4,10) = 1.98832; con( 4,10) = -.00020
      nexp( 4,11) = 5; esp( 4,11) = 1.33764; con( 4,11) =  .00013
      nprin( 5) = 5; nazim( 5) = 0; nconf( 5) = 2; nterm( 5) =11
      nexp( 5, 1) = 1; esp( 5, 1) =51.24680; con( 5, 1) =  .00011
      nexp( 5, 2) = 1; esp( 5, 2) =34.83590; con( 5, 2) =  .03050
      nexp( 5, 3) = 2; esp( 5, 3) =24.80250; con( 5, 3) =  .06165
      nexp( 5, 4) = 2; esp( 5, 4) =21.88120; con( 5, 4) = -.15719
      nexp( 5, 5) = 3; esp( 5, 5) =15.46340; con( 5, 5) = -.03936
      nexp( 5, 6) = 3; esp( 5, 6) =11.12930; con( 5, 6) =  .26268
      nexp( 5, 7) = 4; esp( 5, 7) = 6.54571; con( 5, 7) = -.30750
      nexp( 5, 8) = 4; esp( 5, 8) = 4.60056; con( 5, 8) = -.10069
      nexp( 5, 9) = 5; esp( 5, 9) = 3.04899; con( 5, 9) =  .42410
      nexp( 5,10) = 5; esp( 5,10) = 1.98832; con( 5,10) =  .53970
      nexp( 5,11) = 5; esp( 5,11) = 1.33764; con( 5,11) =  .18408
      nprin( 6) = 2; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =32.40500; con( 6, 1) =  .13594
      nexp( 6, 2) = 2; esp( 6, 2) =21.39340; con( 6, 2) =  .86581
      nexp( 6, 3) = 3; esp( 6, 3) =11.60720; con( 6, 3) =  .03802
      nexp( 6, 4) = 3; esp( 6, 4) = 9.53813; con( 6, 4) = -.02353
      nexp( 6, 5) = 4; esp( 6, 5) = 6.69982; con( 6, 5) =  .00312
      nexp( 6, 6) = 4; esp( 6, 6) = 4.42649; con( 6, 6) = -.00105
      nexp( 6, 7) = 5; esp( 6, 7) = 2.68092; con( 6, 7) =  .00027
      nexp( 6, 8) = 5; esp( 6, 8) = 1.66952; con( 6, 8) = -.00015
      nexp( 6, 9) = 5; esp( 6, 9) = 1.07438; con( 6, 9) =  .00006
      nprin( 7) = 3; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =32.40500; con( 7, 1) =  .02978
      nexp( 7, 2) = 2; esp( 7, 2) =21.39340; con( 7, 2) =  .48457
      nexp( 7, 3) = 3; esp( 7, 3) =11.60720; con( 7, 3) = -.79049
      nexp( 7, 4) = 3; esp( 7, 4) = 9.53813; con( 7, 4) = -.32592
      nexp( 7, 5) = 4; esp( 7, 5) = 6.69982; con( 7, 5) = -.03114
      nexp( 7, 6) = 4; esp( 7, 6) = 4.42649; con( 7, 6) =  .00632
      nexp( 7, 7) = 5; esp( 7, 7) = 2.68092; con( 7, 7) = -.00212
      nexp( 7, 8) = 5; esp( 7, 8) = 1.66952; con( 7, 8) =  .00130
      nexp( 7, 9) = 5; esp( 7, 9) = 1.07438; con( 7, 9) = -.00048
      nprin( 8) = 4; nazim( 8) = 1; nconf( 8) = 6; nterm( 8) = 9
      nexp( 8, 1) = 2; esp( 8, 1) =32.40500; con( 8, 1) = -.00945
      nexp( 8, 2) = 2; esp( 8, 2) =21.39340; con( 8, 2) = -.20942
      nexp( 8, 3) = 3; esp( 8, 3) =11.60720; con( 8, 3) =  .31227
      nexp( 8, 4) = 3; esp( 8, 4) = 9.53813; con( 8, 4) =  .33166
      nexp( 8, 5) = 4; esp( 8, 5) = 6.69982; con( 8, 5) = -.61022
      nexp( 8, 6) = 4; esp( 8, 6) = 4.42649; con( 8, 6) = -.59925
      nexp( 8, 7) = 5; esp( 8, 7) = 2.68092; con( 8, 7) = -.02215
      nexp( 8, 8) = 5; esp( 8, 8) = 1.66952; con( 8, 8) =  .00368
      nexp( 8, 9) = 5; esp( 8, 9) = 1.07438; con( 8, 9) = -.00125
      nprin( 9) = 5; nazim( 9) = 1; nconf( 9) = 2; nterm( 9) = 9
      nexp( 9, 1) = 2; esp( 9, 1) =32.40500; con( 9, 1) = -.00220
      nexp( 9, 2) = 2; esp( 9, 2) =21.39340; con( 9, 2) = -.04885
      nexp( 9, 3) = 3; esp( 9, 3) =11.60720; con( 9, 3) =  .06630
      nexp( 9, 4) = 3; esp( 9, 4) = 9.53813; con( 9, 4) =  .09376
      nexp( 9, 5) = 4; esp( 9, 5) = 6.69982; con( 9, 5) = -.18763
      nexp( 9, 6) = 4; esp( 9, 6) = 4.42649; con( 9, 6) = -.12451
      nexp( 9, 7) = 5; esp( 9, 7) = 2.68092; con( 9, 7) =  .33186
      nexp( 9, 8) = 5; esp( 9, 8) = 1.66952; con( 9, 8) =  .56925
      nexp( 9, 9) = 5; esp( 9, 9) = 1.07438; con( 9, 9) =  .24890
      nprin(10) = 3; nazim(10) = 2; nconf(10) =10; nterm(10) = 5
      nexp(10, 1) = 3; esp(10, 1) =18.08490; con(10, 1) = -.21195
      nexp(10, 2) = 3; esp(10, 2) =10.42740; con(10, 2) = -.79714
      nexp(10, 3) = 4; esp(10, 3) = 6.32865; con(10, 3) = -.06387
      nexp(10, 4) = 4; esp(10, 4) = 3.95998; con(10, 4) =  .01730
      nexp(10, 5) = 4; esp(10, 5) = 2.43189; con(10, 5) = -.00475
      nprin(11) = 4; nazim(11) = 2; nconf(11) =10; nterm(11) = 5
      nexp(11, 1) = 3; esp(11, 1) =18.08490; con(11, 1) = -.07987
      nexp(11, 2) = 3; esp(11, 2) =10.42740; con(11, 2) = -.29974
      nexp(11, 3) = 4; esp(11, 3) = 6.32865; con(11, 3) =  .39274
      nexp(11, 4) = 4; esp(11, 4) = 3.95998; con(11, 4) =  .58769
      nexp(11, 5) = 4; esp(11, 5) = 2.43189; con(11, 5) =  .17966
    case(51)
      norb = 11
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =52.29670; con( 1, 1) =  .86330
      nexp( 1, 2) = 1; esp( 1, 2) =36.20580; con( 1, 2) =  .15526
      nexp( 1, 3) = 2; esp( 1, 3) =25.71070; con( 1, 3) = -.07402
      nexp( 1, 4) = 2; esp( 1, 4) =22.55570; con( 1, 4) =  .05984
      nexp( 1, 5) = 3; esp( 1, 5) =15.58310; con( 1, 5) = -.00834
      nexp( 1, 6) = 3; esp( 1, 6) =11.47010; con( 1, 6) =  .00398
      nexp( 1, 7) = 4; esp( 1, 7) = 6.78464; con( 1, 7) = -.00114
      nexp( 1, 8) = 4; esp( 1, 8) = 4.84462; con( 1, 8) =  .00077
      nexp( 1, 9) = 5; esp( 1, 9) = 3.16711; con( 1, 9) = -.00031
      nexp( 1,10) = 5; esp( 1,10) = 2.07061; con( 1,10) =  .00020
      nexp( 1,11) = 5; esp( 1,11) = 1.42099; con( 1,11) = -.00007
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =52.29670; con( 2, 1) =  .01937
      nexp( 2, 2) = 1; esp( 2, 2) =36.20580; con( 2, 2) =  .50197
      nexp( 2, 3) = 2; esp( 2, 3) =25.71070; con( 2, 3) =  .08546
      nexp( 2, 4) = 2; esp( 2, 4) =22.55570; con( 2, 4) =-1.26797
      nexp( 2, 5) = 3; esp( 2, 5) =15.58310; con( 2, 5) = -.05240
      nexp( 2, 6) = 3; esp( 2, 6) =11.47010; con( 2, 6) =  .01161
      nexp( 2, 7) = 4; esp( 2, 7) = 6.78464; con( 2, 7) = -.00182
      nexp( 2, 8) = 4; esp( 2, 8) = 4.84462; con( 2, 8) =  .00122
      nexp( 2, 9) = 5; esp( 2, 9) = 3.16711; con( 2, 9) = -.00044
      nexp( 2,10) = 5; esp( 2,10) = 2.07061; con( 2,10) =  .00027
      nexp( 2,11) = 5; esp( 2,11) = 1.42099; con( 2,11) = -.00010
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =52.29670; con( 3, 1) = -.00764
      nexp( 3, 2) = 1; esp( 3, 2) =36.20580; con( 3, 2) = -.22350
      nexp( 3, 3) = 2; esp( 3, 3) =25.71070; con( 3, 3) = -.54484
      nexp( 3, 4) = 2; esp( 3, 4) =22.55570; con( 3, 4) = 1.27093
      nexp( 3, 5) = 3; esp( 3, 5) =15.58310; con( 3, 5) =  .04021
      nexp( 3, 6) = 3; esp( 3, 6) =11.47010; con( 3, 6) =-1.21742
      nexp( 3, 7) = 4; esp( 3, 7) = 6.78464; con( 3, 7) = -.03927
      nexp( 3, 8) = 4; esp( 3, 8) = 4.84462; con( 3, 8) =  .01231
      nexp( 3, 9) = 5; esp( 3, 9) = 3.16711; con( 3, 9) = -.00347
      nexp( 3,10) = 5; esp( 3,10) = 2.07061; con( 3,10) =  .00200
      nexp( 3,11) = 5; esp( 3,11) = 1.42099; con( 3,11) = -.00070
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =52.29670; con( 4, 1) = -.00114
      nexp( 4, 2) = 1; esp( 4, 2) =36.20580; con( 4, 2) = -.10212
      nexp( 4, 3) = 2; esp( 4, 3) =25.71070; con( 4, 3) = -.24575
      nexp( 4, 4) = 2; esp( 4, 4) =22.55570; con( 4, 4) =  .57541
      nexp( 4, 5) = 3; esp( 4, 5) =15.58310; con( 4, 5) =  .12287
      nexp( 4, 6) = 3; esp( 4, 6) =11.47010; con( 4, 6) = -.85090
      nexp( 4, 7) = 4; esp( 4, 7) = 6.78464; con( 4, 7) =  .74241
      nexp( 4, 8) = 4; esp( 4, 8) = 4.84462; con( 4, 8) =  .47295
      nexp( 4, 9) = 5; esp( 4, 9) = 3.16711; con( 4, 9) =  .00678
      nexp( 4,10) = 5; esp( 4,10) = 2.07061; con( 4,10) = -.00075
      nexp( 4,11) = 5; esp( 4,11) = 1.42099; con( 4,11) =  .00035
      nprin( 5) = 5; nazim( 5) = 0; nconf( 5) = 2; nterm( 5) =11
      nexp( 5, 1) = 1; esp( 5, 1) =52.29670; con( 5, 1) = -.00016
      nexp( 5, 2) = 1; esp( 5, 2) =36.20580; con( 5, 2) =  .03259
      nexp( 5, 3) = 2; esp( 5, 3) =25.71070; con( 5, 3) =  .07002
      nexp( 5, 4) = 2; esp( 5, 4) =22.55570; con( 5, 4) = -.17174
      nexp( 5, 5) = 3; esp( 5, 5) =15.58310; con( 5, 5) = -.05298
      nexp( 5, 6) = 3; esp( 5, 6) =11.47010; con( 5, 6) =  .29518
      nexp( 5, 7) = 4; esp( 5, 7) = 6.78464; con( 5, 7) = -.32558
      nexp( 5, 8) = 4; esp( 5, 8) = 4.84462; con( 5, 8) = -.11697
      nexp( 5, 9) = 5; esp( 5, 9) = 3.16711; con( 5, 9) =  .48369
      nexp( 5,10) = 5; esp( 5,10) = 2.07061; con( 5,10) =  .52328
      nexp( 5,11) = 5; esp( 5,11) = 1.42099; con( 5,11) =  .14041
      nprin( 6) = 2; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =33.03150; con( 6, 1) =  .13557
      nexp( 6, 2) = 2; esp( 6, 2) =21.87460; con( 6, 2) =  .86582
      nexp( 6, 3) = 3; esp( 6, 3) =11.96880; con( 6, 3) =  .04245
      nexp( 6, 4) = 3; esp( 6, 4) =10.26190; con( 6, 4) = -.02726
      nexp( 6, 5) = 4; esp( 6, 5) = 6.89427; con( 6, 5) =  .00222
      nexp( 6, 6) = 4; esp( 6, 6) = 4.63326; con( 6, 6) = -.00075
      nexp( 6, 7) = 5; esp( 6, 7) = 2.79439; con( 6, 7) =  .00016
      nexp( 6, 8) = 5; esp( 6, 8) = 1.76190; con( 6, 8) = -.00009
      nexp( 6, 9) = 5; esp( 6, 9) = 1.16248; con( 6, 9) =  .00003
      nprin( 7) = 3; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =33.03150; con( 7, 1) =  .02906
      nexp( 7, 2) = 2; esp( 7, 2) =21.87460; con( 7, 2) =  .48854
      nexp( 7, 3) = 3; esp( 7, 3) =11.96880; con( 7, 3) = -.68889
      nexp( 7, 4) = 3; esp( 7, 4) =10.26190; con( 7, 4) = -.42290
      nexp( 7, 5) = 4; esp( 7, 5) = 6.89427; con( 7, 5) = -.03955
      nexp( 7, 6) = 4; esp( 7, 6) = 4.63326; con( 7, 6) =  .00927
      nexp( 7, 7) = 5; esp( 7, 7) = 2.79439; con( 7, 7) = -.00289
      nexp( 7, 8) = 5; esp( 7, 8) = 1.76190; con( 7, 8) =  .00185
      nexp( 7, 9) = 5; esp( 7, 9) = 1.16248; con( 7, 9) = -.00070
      nprin( 8) = 4; nazim( 8) = 1; nconf( 8) = 6; nterm( 8) = 9
      nexp( 8, 1) = 2; esp( 8, 1) =33.03150; con( 8, 1) = -.00927
      nexp( 8, 2) = 2; esp( 8, 2) =21.87460; con( 8, 2) = -.21481
      nexp( 8, 3) = 3; esp( 8, 3) =11.96880; con( 8, 3) =  .23840
      nexp( 8, 4) = 3; esp( 8, 4) =10.26190; con( 8, 4) =  .40998
      nexp( 8, 5) = 4; esp( 8, 5) = 6.89427; con( 8, 5) = -.60342
      nexp( 8, 6) = 4; esp( 8, 6) = 4.63326; con( 8, 6) = -.60017
      nexp( 8, 7) = 5; esp( 8, 7) = 2.79439; con( 8, 7) = -.01976
      nexp( 8, 8) = 5; esp( 8, 8) = 1.76190; con( 8, 8) =  .00377
      nexp( 8, 9) = 5; esp( 8, 9) = 1.16248; con( 8, 9) = -.00113
      nprin( 9) = 5; nazim( 9) = 1; nconf( 9) = 3; nterm( 9) = 9
      nexp( 9, 1) = 2; esp( 9, 1) =33.03150; con( 9, 1) = -.00242
      nexp( 9, 2) = 2; esp( 9, 2) =21.87460; con( 9, 2) = -.05549
      nexp( 9, 3) = 3; esp( 9, 3) =11.96880; con( 9, 3) =  .05008
      nexp( 9, 4) = 3; esp( 9, 4) =10.26190; con( 9, 4) =  .12884
      nexp( 9, 5) = 4; esp( 9, 5) = 6.89427; con( 9, 5) = -.20961
      nexp( 9, 6) = 4; esp( 9, 6) = 4.63326; con( 9, 6) = -.13867
      nexp( 9, 7) = 5; esp( 9, 7) = 2.79439; con( 9, 7) =  .40191
      nexp( 9, 8) = 5; esp( 9, 8) = 1.76190; con( 9, 8) =  .56336
      nexp( 9, 9) = 5; esp( 9, 9) = 1.16248; con( 9, 9) =  .17854
      nprin(10) = 3; nazim(10) = 2; nconf(10) =10; nterm(10) = 5
      nexp(10, 1) = 3; esp(10, 1) =18.49620; con(10, 1) = -.21216
      nexp(10, 2) = 3; esp(10, 2) =10.72730; con(10, 2) = -.79764
      nexp(10, 3) = 4; esp(10, 3) = 6.51769; con(10, 3) = -.06093
      nexp(10, 4) = 4; esp(10, 4) = 4.09028; con(10, 4) =  .01660
      nexp(10, 5) = 4; esp(10, 5) = 2.53196; con(10, 5) = -.00452
      nprin(11) = 4; nazim(11) = 2; nconf(11) =10; nterm(11) = 5
      nexp(11, 1) = 3; esp(11, 1) =18.49620; con(11, 1) = -.08297
      nexp(11, 2) = 3; esp(11, 2) =10.72730; con(11, 2) = -.31179
      nexp(11, 3) = 4; esp(11, 3) = 6.51769; con(11, 3) =  .42124
      nexp(11, 4) = 4; esp(11, 4) = 4.09028; con(11, 4) =  .59520
      nexp(11, 5) = 4; esp(11, 5) = 2.53196; con(11, 5) =  .13979
    case(52)
      norb = 11
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =53.30360; con( 1, 1) =  .86565
      nexp( 1, 2) = 1; esp( 1, 2) =36.73090; con( 1, 2) =  .15343
      nexp( 1, 3) = 2; esp( 1, 3) =26.32940; con( 1, 3) = -.07363
      nexp( 1, 4) = 2; esp( 1, 4) =22.99520; con( 1, 4) =  .05884
      nexp( 1, 5) = 3; esp( 1, 5) =15.68090; con( 1, 5) = -.00904
      nexp( 1, 6) = 3; esp( 1, 6) =11.81490; con( 1, 6) =  .00470
      nexp( 1, 7) = 4; esp( 1, 7) = 7.00022; con( 1, 7) = -.00134
      nexp( 1, 8) = 4; esp( 1, 8) = 5.06510; con( 1, 8) =  .00094
      nexp( 1, 9) = 5; esp( 1, 9) = 3.35991; con( 1, 9) = -.00038
      nexp( 1,10) = 5; esp( 1,10) = 2.24531; con( 1,10) =  .00025
      nexp( 1,11) = 5; esp( 1,11) = 1.56178; con( 1,11) = -.00009
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =53.30360; con( 2, 1) =  .02046
      nexp( 2, 2) = 1; esp( 2, 2) =36.73090; con( 2, 2) =  .50474
      nexp( 2, 3) = 2; esp( 2, 3) =26.32940; con( 2, 3) =  .06342
      nexp( 2, 4) = 2; esp( 2, 4) =22.99520; con( 2, 4) =-1.25086
      nexp( 2, 5) = 3; esp( 2, 5) =15.68090; con( 2, 5) = -.05401
      nexp( 2, 6) = 3; esp( 2, 6) =11.81490; con( 2, 6) =  .01466
      nexp( 2, 7) = 4; esp( 2, 7) = 7.00022; con( 2, 7) = -.00241
      nexp( 2, 8) = 4; esp( 2, 8) = 5.06510; con( 2, 8) =  .00166
      nexp( 2, 9) = 5; esp( 2, 9) = 3.35991; con( 2, 9) = -.00062
      nexp( 2,10) = 5; esp( 2,10) = 2.24531; con( 2,10) =  .00039
      nexp( 2,11) = 5; esp( 2,11) = 1.56178; con( 2,11) = -.00014
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =53.30360; con( 3, 1) =  .00798
      nexp( 3, 2) = 1; esp( 3, 2) =36.73090; con( 3, 2) =  .22599
      nexp( 3, 3) = 2; esp( 3, 3) =26.32940; con( 3, 3) =  .51512
      nexp( 3, 4) = 2; esp( 3, 4) =22.99520; con( 3, 4) =-1.24602
      nexp( 3, 5) = 3; esp( 3, 5) =15.68090; con( 3, 5) = -.06539
      nexp( 3, 6) = 3; esp( 3, 6) =11.81490; con( 3, 6) = 1.24125
      nexp( 3, 7) = 4; esp( 3, 7) = 7.00022; con( 3, 7) =  .04294
      nexp( 3, 8) = 4; esp( 3, 8) = 5.06510; con( 3, 8) = -.01459
      nexp( 3, 9) = 5; esp( 3, 9) = 3.35991; con( 3, 9) =  .00416
      nexp( 3,10) = 5; esp( 3,10) = 2.24531; con( 3,10) = -.00243
      nexp( 3,11) = 5; esp( 3,11) = 1.56178; con( 3,11) =  .00082
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =53.30360; con( 4, 1) = -.00145
      nexp( 4, 2) = 1; esp( 4, 2) =36.73090; con( 4, 2) = -.10429
      nexp( 4, 3) = 2; esp( 4, 3) =26.32940; con( 4, 3) = -.23842
      nexp( 4, 4) = 2; esp( 4, 4) =22.99520; con( 4, 4) =  .57522
      nexp( 4, 5) = 3; esp( 4, 5) =15.68090; con( 4, 5) =  .14987
      nexp( 4, 6) = 3; esp( 4, 6) =11.81490; con( 4, 6) = -.89185
      nexp( 4, 7) = 4; esp( 4, 7) = 7.00022; con( 4, 7) =  .74034
      nexp( 4, 8) = 4; esp( 4, 8) = 5.06510; con( 4, 8) =  .47870
      nexp( 4, 9) = 5; esp( 4, 9) = 3.35991; con( 4, 9) =  .00727
      nexp( 4,10) = 5; esp( 4,10) = 2.24531; con( 4,10) = -.00069
      nexp( 4,11) = 5; esp( 4,11) = 1.56178; con( 4,11) =  .00040
      nprin( 5) = 5; nazim( 5) = 0; nconf( 5) = 2; nterm( 5) =11
      nexp( 5, 1) = 1; esp( 5, 1) =53.30360; con( 5, 1) =  .00002
      nexp( 5, 2) = 1; esp( 5, 2) =36.73090; con( 5, 2) =  .03485
      nexp( 5, 3) = 2; esp( 5, 3) =26.32940; con( 5, 3) =  .07290
      nexp( 5, 4) = 2; esp( 5, 4) =22.99520; con( 5, 4) = -.18253
      nexp( 5, 5) = 3; esp( 5, 5) =15.68090; con( 5, 5) = -.06577
      nexp( 5, 6) = 3; esp( 5, 6) =11.81490; con( 5, 6) =  .32633
      nexp( 5, 7) = 4; esp( 5, 7) = 7.00022; con( 5, 7) = -.34170
      nexp( 5, 8) = 4; esp( 5, 8) = 5.06510; con( 5, 8) = -.13619
      nexp( 5, 9) = 5; esp( 5, 9) = 3.35991; con( 5, 9) =  .49466
      nexp( 5,10) = 5; esp( 5,10) = 2.24531; con( 5,10) =  .50924
      nexp( 5,11) = 5; esp( 5,11) = 1.56178; con( 5,11) =  .14903
      nprin( 6) = 2; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =33.61480; con( 6, 1) =  .13646
      nexp( 6, 2) = 2; esp( 6, 2) =22.33970; con( 6, 2) =  .86508
      nexp( 6, 3) = 3; esp( 6, 3) =12.13790; con( 6, 3) =  .04592
      nexp( 6, 4) = 3; esp( 6, 4) =10.60150; con( 6, 4) = -.03121
      nexp( 6, 5) = 4; esp( 6, 5) = 7.18478; con( 6, 5) =  .00220
      nexp( 6, 6) = 4; esp( 6, 6) = 4.88471; con( 6, 6) = -.00070
      nexp( 6, 7) = 5; esp( 6, 7) = 2.97927; con( 6, 7) =  .00013
      nexp( 6, 8) = 5; esp( 6, 8) = 1.87617; con( 6, 8) = -.00006
      nexp( 6, 9) = 5; esp( 6, 9) = 1.22654; con( 6, 9) =  .00002
      nprin( 7) = 3; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =33.61480; con( 7, 1) =  .02892
      nexp( 7, 2) = 2; esp( 7, 2) =22.33970; con( 7, 2) =  .49200
      nexp( 7, 3) = 3; esp( 7, 3) =12.13790; con( 7, 3) = -.73999
      nexp( 7, 4) = 3; esp( 7, 4) =10.60150; con( 7, 4) = -.36918
      nexp( 7, 5) = 4; esp( 7, 5) = 7.18478; con( 7, 5) = -.04487
      nexp( 7, 6) = 4; esp( 7, 6) = 4.88471; con( 7, 6) =  .01084
      nexp( 7, 7) = 5; esp( 7, 7) = 2.97927; con( 7, 7) = -.00316
      nexp( 7, 8) = 5; esp( 7, 8) = 1.87617; con( 7, 8) =  .00195
      nexp( 7, 9) = 5; esp( 7, 9) = 1.22654; con( 7, 9) = -.00072
      nprin( 8) = 4; nazim( 8) = 1; nconf( 8) = 6; nterm( 8) = 9
      nexp( 8, 1) = 2; esp( 8, 1) =33.61480; con( 8, 1) = -.00925
      nexp( 8, 2) = 2; esp( 8, 2) =22.33970; con( 8, 2) = -.22003
      nexp( 8, 3) = 3; esp( 8, 3) =12.13790; con( 8, 3) =  .23812
      nexp( 8, 4) = 3; esp( 8, 4) =10.60150; con( 8, 4) =  .42691
      nexp( 8, 5) = 4; esp( 8, 5) = 7.18478; con( 8, 5) = -.58604
      nexp( 8, 6) = 4; esp( 8, 6) = 4.88471; con( 8, 6) = -.62258
      nexp( 8, 7) = 5; esp( 8, 7) = 2.97927; con( 8, 7) = -.02040
      nexp( 8, 8) = 5; esp( 8, 8) = 1.87617; con( 8, 8) =  .00313
      nexp( 8, 9) = 5; esp( 8, 9) = 1.22654; con( 8, 9) = -.00118
      nprin( 9) = 5; nazim( 9) = 1; nconf( 9) = 4; nterm( 9) = 9
      nexp( 9, 1) = 2; esp( 9, 1) =33.61480; con( 9, 1) = -.00256
      nexp( 9, 2) = 2; esp( 9, 2) =22.33970; con( 9, 2) = -.06108
      nexp( 9, 3) = 3; esp( 9, 3) =12.13790; con( 9, 3) =  .05069
      nexp( 9, 4) = 3; esp( 9, 4) =10.60150; con( 9, 4) =  .14705
      nexp( 9, 5) = 4; esp( 9, 5) = 7.18478; con( 9, 5) = -.22060
      nexp( 9, 6) = 4; esp( 9, 6) = 4.88471; con( 9, 6) = -.16305
      nexp( 9, 7) = 5; esp( 9, 7) = 2.97927; con( 9, 7) =  .43602
      nexp( 9, 8) = 5; esp( 9, 8) = 1.87617; con( 9, 8) =  .54689
      nexp( 9, 9) = 5; esp( 9, 9) = 1.22654; con( 9, 9) =  .17212
      nprin(10) = 3; nazim(10) = 2; nconf(10) =10; nterm(10) = 5
      nexp(10, 1) = 3; esp(10, 1) =19.01070; con(10, 1) = -.20691
      nexp(10, 2) = 3; esp(10, 2) =11.07400; con(10, 2) = -.80067
      nexp(10, 3) = 4; esp(10, 3) = 6.78484; con(10, 3) = -.06239
      nexp(10, 4) = 4; esp(10, 4) = 4.32877; con(10, 4) =  .01730
      nexp(10, 5) = 4; esp(10, 5) = 2.71371; con(10, 5) = -.00457
      nprin(11) = 4; nazim(11) = 2; nconf(11) =10; nterm(11) = 5
      nexp(11, 1) = 3; esp(11, 1) =19.01070; con(11, 1) = -.08333
      nexp(11, 2) = 3; esp(11, 2) =11.07400; con(11, 2) = -.32504
      nexp(11, 3) = 4; esp(11, 3) = 6.78484; con(11, 3) =  .42109
      nexp(11, 4) = 4; esp(11, 4) = 4.32877; con(11, 4) =  .60165
      nexp(11, 5) = 4; esp(11, 5) = 2.71371; con(11, 5) =  .13026
    case(53)
      norb = 11
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =54.36390; con( 1, 1) =  .86126
      nexp( 1, 2) = 1; esp( 1, 2) =37.74000; con( 1, 2) =  .15804
      nexp( 1, 3) = 2; esp( 1, 3) =27.61050; con( 1, 3) = -.06219
      nexp( 1, 4) = 2; esp( 1, 4) =23.54300; con( 1, 4) =  .04662
      nexp( 1, 5) = 3; esp( 1, 5) =15.58780; con( 1, 5) = -.00954
      nexp( 1, 6) = 3; esp( 1, 6) =12.25910; con( 1, 6) =  .00584
      nexp( 1, 7) = 4; esp( 1, 7) = 7.32866; con( 1, 7) = -.00164
      nexp( 1, 8) = 4; esp( 1, 8) = 5.44922; con( 1, 8) =  .00118
      nexp( 1, 9) = 5; esp( 1, 9) = 3.65514; con( 1, 9) = -.00046
      nexp( 1,10) = 5; esp( 1,10) = 2.50677; con( 1,10) =  .00029
      nexp( 1,11) = 5; esp( 1,11) = 1.72722; con( 1,11) = -.00009
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =54.36390; con( 2, 1) =  .01765
      nexp( 2, 2) = 1; esp( 2, 2) =37.74000; con( 2, 2) =  .50429
      nexp( 2, 3) = 2; esp( 2, 3) =27.61050; con( 2, 3) =  .08968
      nexp( 2, 4) = 2; esp( 2, 4) =23.54300; con( 2, 4) =-1.27320
      nexp( 2, 5) = 3; esp( 2, 5) =15.58780; con( 2, 5) = -.06038
      nexp( 2, 6) = 3; esp( 2, 6) =12.25910; con( 2, 6) =  .02196
      nexp( 2, 7) = 4; esp( 2, 7) = 7.32866; con( 2, 7) = -.00355
      nexp( 2, 8) = 4; esp( 2, 8) = 5.44922; con( 2, 8) =  .00246
      nexp( 2, 9) = 5; esp( 2, 9) = 3.65514; con( 2, 9) = -.00087
      nexp( 2,10) = 5; esp( 2,10) = 2.50677; con( 2,10) =  .00053
      nexp( 2,11) = 5; esp( 2,11) = 1.72722; con( 2,11) = -.00017
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =54.36390; con( 3, 1) =  .00837
      nexp( 3, 2) = 1; esp( 3, 2) =37.74000; con( 3, 2) =  .22392
      nexp( 3, 3) = 2; esp( 3, 3) =27.61050; con( 3, 3) =  .43590
      nexp( 3, 4) = 2; esp( 3, 4) =23.54300; con( 3, 4) =-1.15839
      nexp( 3, 5) = 3; esp( 3, 5) =15.58780; con( 3, 5) = -.15019
      nexp( 3, 6) = 3; esp( 3, 6) =12.25910; con( 3, 6) = 1.31242
      nexp( 3, 7) = 4; esp( 3, 7) = 7.32866; con( 3, 7) =  .05294
      nexp( 3, 8) = 4; esp( 3, 8) = 5.44922; con( 3, 8) = -.01960
      nexp( 3, 9) = 5; esp( 3, 9) = 3.65514; con( 3, 9) =  .00521
      nexp( 3,10) = 5; esp( 3,10) = 2.50677; con( 3,10) = -.00294
      nexp( 3,11) = 5; esp( 3,11) = 1.72722; con( 3,11) =  .00089
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =54.36390; con( 4, 1) =  .00162
      nexp( 4, 2) = 1; esp( 4, 2) =37.74000; con( 4, 2) =  .10461
      nexp( 4, 3) = 2; esp( 4, 3) =27.61050; con( 4, 3) =  .20465
      nexp( 4, 4) = 2; esp( 4, 4) =23.54300; con( 4, 4) = -.54189
      nexp( 4, 5) = 3; esp( 4, 5) =15.58780; con( 4, 5) = -.22857
      nexp( 4, 6) = 3; esp( 4, 6) =12.25910; con( 4, 6) =  .97929
      nexp( 4, 7) = 4; esp( 4, 7) = 7.32866; con( 4, 7) = -.66288
      nexp( 4, 8) = 4; esp( 4, 8) = 5.44922; con( 4, 8) = -.55328
      nexp( 4, 9) = 5; esp( 4, 9) = 3.65514; con( 4, 9) = -.01661
      nexp( 4,10) = 5; esp( 4,10) = 2.50677; con( 4,10) =  .00329
      nexp( 4,11) = 5; esp( 4,11) = 1.72722; con( 4,11) = -.00117
      nprin( 5) = 5; nazim( 5) = 0; nconf( 5) = 2; nterm( 5) =11
      nexp( 5, 1) = 1; esp( 5, 1) =54.36390; con( 5, 1) =  .00021
      nexp( 5, 2) = 1; esp( 5, 2) =37.74000; con( 5, 2) =  .03616
      nexp( 5, 3) = 2; esp( 5, 3) =27.61050; con( 5, 3) =  .06726
      nexp( 5, 4) = 2; esp( 5, 4) =23.54300; con( 5, 4) = -.18201
      nexp( 5, 5) = 3; esp( 5, 5) =15.58780; con( 5, 5) = -.09791
      nexp( 5, 6) = 3; esp( 5, 6) =12.25910; con( 5, 6) =  .37340
      nexp( 5, 7) = 4; esp( 5, 7) = 7.32866; con( 5, 7) = -.31712
      nexp( 5, 8) = 4; esp( 5, 8) = 5.44922; con( 5, 8) = -.19780
      nexp( 5, 9) = 5; esp( 5, 9) = 3.65514; con( 5, 9) =  .44715
      nexp( 5,10) = 5; esp( 5,10) = 2.50677; con( 5,10) =  .53230
      nexp( 5,11) = 5; esp( 5,11) = 1.72722; con( 5,11) =  .18598
      nprin( 6) = 2; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =34.23150; con( 6, 1) =  .13634
      nexp( 6, 2) = 2; esp( 6, 2) =22.81720; con( 6, 2) =  .86504
      nexp( 6, 3) = 3; esp( 6, 3) =12.34330; con( 6, 3) =  .05825
      nexp( 6, 4) = 3; esp( 6, 4) =11.20990; con( 6, 4) = -.04344
      nexp( 6, 5) = 4; esp( 6, 5) = 7.49817; con( 6, 5) =  .00182
      nexp( 6, 6) = 4; esp( 6, 6) = 5.16592; con( 6, 6) = -.00052
      nexp( 6, 7) = 5; esp( 6, 7) = 3.17551; con( 6, 7) =  .00005
      nexp( 6, 8) = 5; esp( 6, 8) = 2.00372; con( 6, 8) = -.00001
      nexp( 6, 9) = 5; esp( 6, 9) = 1.30484; con( 6, 9) =  .00000
      nprin( 7) = 3; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =34.23150; con( 7, 1) =  .02843
      nexp( 7, 2) = 2; esp( 7, 2) =22.81720; con( 7, 2) =  .49543
      nexp( 7, 3) = 3; esp( 7, 3) =12.34330; con( 7, 3) = -.71406
      nexp( 7, 4) = 3; esp( 7, 4) =11.20990; con( 7, 4) = -.39019
      nexp( 7, 5) = 4; esp( 7, 5) = 7.49817; con( 7, 5) = -.05302
      nexp( 7, 6) = 4; esp( 7, 6) = 5.16592; con( 7, 6) =  .01321
      nexp( 7, 7) = 5; esp( 7, 7) = 3.17551; con( 7, 7) = -.00360
      nexp( 7, 8) = 5; esp( 7, 8) = 2.00372; con( 7, 8) =  .00216
      nexp( 7, 9) = 5; esp( 7, 9) = 1.30484; con( 7, 9) = -.00077
      nprin( 8) = 4; nazim( 8) = 1; nconf( 8) = 6; nterm( 8) = 9
      nexp( 8, 1) = 2; esp( 8, 1) =34.23150; con( 8, 1) = -.00924
      nexp( 8, 2) = 2; esp( 8, 2) =22.81720; con( 8, 2) = -.22471
      nexp( 8, 3) = 3; esp( 8, 3) =12.34330; con( 8, 3) =  .13850
      nexp( 8, 4) = 3; esp( 8, 4) =11.20990; con( 8, 4) =  .53800
      nexp( 8, 5) = 4; esp( 8, 5) = 7.49817; con( 8, 5) = -.55045
      nexp( 8, 6) = 4; esp( 8, 6) = 5.16592; con( 8, 6) = -.65717
      nexp( 8, 7) = 5; esp( 8, 7) = 3.17551; con( 8, 7) = -.02336
      nexp( 8, 8) = 5; esp( 8, 8) = 2.00372; con( 8, 8) =  .00330
      nexp( 8, 9) = 5; esp( 8, 9) = 1.30484; con( 8, 9) = -.00149
      nprin( 9) = 5; nazim( 9) = 1; nconf( 9) = 5; nterm( 9) = 9
      nexp( 9, 1) = 2; esp( 9, 1) =34.23150; con( 9, 1) = -.00269
      nexp( 9, 2) = 2; esp( 9, 2) =22.81720; con( 9, 2) = -.06630
      nexp( 9, 3) = 3; esp( 9, 3) =12.34330; con( 9, 3) =  .01473
      nexp( 9, 4) = 3; esp( 9, 4) =11.20990; con( 9, 4) =  .19920
      nexp( 9, 5) = 4; esp( 9, 5) = 7.49817; con( 9, 5) = -.22156
      nexp( 9, 6) = 4; esp( 9, 6) = 5.16592; con( 9, 6) = -.19441
      nexp( 9, 7) = 5; esp( 9, 7) = 3.17551; con( 9, 7) =  .45661
      nexp( 9, 8) = 5; esp( 9, 8) = 2.00372; con( 9, 8) =  .54348
      nexp( 9, 9) = 5; esp( 9, 9) = 1.30484; con( 9, 9) =  .16224
      nprin(10) = 3; nazim(10) = 2; nconf(10) =10; nterm(10) = 5
      nexp(10, 1) = 3; esp(10, 1) =19.61210; con(10, 1) = -.19762
      nexp(10, 2) = 3; esp(10, 2) =11.45840; con(10, 2) = -.80541
      nexp(10, 3) = 4; esp(10, 3) = 7.12795; con(10, 3) = -.06695
      nexp(10, 4) = 4; esp(10, 4) = 4.64351; con(10, 4) =  .01855
      nexp(10, 5) = 4; esp(10, 5) = 2.93955; con(10, 5) = -.00465
      nprin(11) = 4; nazim(11) = 2; nconf(11) =10; nterm(11) = 5
      nexp(11, 1) = 3; esp(11, 1) =19.61210; con(11, 1) = -.08133
      nexp(11, 2) = 3; esp(11, 2) =11.45840; con(11, 2) = -.33938
      nexp(11, 3) = 4; esp(11, 3) = 7.12795; con(11, 3) =  .39632
      nexp(11, 4) = 4; esp(11, 4) = 4.64351; con(11, 4) =  .61735
      nexp(11, 5) = 4; esp(11, 5) = 2.93955; con(11, 5) =  .13703
    case(54)
      norb = 11
      nprin( 1) = 1; nazim( 1) = 0; nconf( 1) = 2; nterm( 1) =11
      nexp( 1, 1) = 1; esp( 1, 1) =55.30720; con( 1, 1) =  .87059
      nexp( 1, 2) = 1; esp( 1, 2) =37.80730; con( 1, 2) =  .14926
      nexp( 1, 3) = 2; esp( 1, 3) =27.92970; con( 1, 3) = -.06259
      nexp( 1, 4) = 2; esp( 1, 4) =23.69210; con( 1, 4) =  .04643
      nexp( 1, 5) = 3; esp( 1, 5) =15.03530; con( 1, 5) = -.01383
      nexp( 1, 6) = 3; esp( 1, 6) =12.67230; con( 1, 6) =  .01030
      nexp( 1, 7) = 4; esp( 1, 7) = 7.60195; con( 1, 7) = -.00254
      nexp( 1, 8) = 4; esp( 1, 8) = 5.73899; con( 1, 8) =  .00201
      nexp( 1, 9) = 5; esp( 1, 9) = 4.17583; con( 1, 9) = -.00085
      nexp( 1,10) = 5; esp( 1,10) = 2.99772; con( 1,10) =  .00045
      nexp( 1,11) = 5; esp( 1,11) = 1.98532; con( 1,11) = -.00011
      nprin( 2) = 2; nazim( 2) = 0; nconf( 2) = 2; nterm( 2) =11
      nexp( 2, 1) = 1; esp( 2, 1) =55.30720; con( 2, 1) =  .02107
      nexp( 2, 2) = 1; esp( 2, 2) =37.80730; con( 2, 2) =  .51209
      nexp( 2, 3) = 2; esp( 2, 3) =27.92970; con( 2, 3) = -.01873
      nexp( 2, 4) = 2; esp( 2, 4) =23.69210; con( 2, 4) =-1.18386
      nexp( 2, 5) = 3; esp( 2, 5) =15.03530; con( 2, 5) = -.06502
      nexp( 2, 6) = 3; esp( 2, 6) =12.67230; con( 2, 6) =  .03432
      nexp( 2, 7) = 4; esp( 2, 7) = 7.60195; con( 2, 7) = -.00469
      nexp( 2, 8) = 4; esp( 2, 8) = 5.73899; con( 2, 8) =  .00352
      nexp( 2, 9) = 5; esp( 2, 9) = 4.17583; con( 2, 9) = -.00136
      nexp( 2,10) = 5; esp( 2,10) = 2.99772; con( 2,10) =  .00069
      nexp( 2,11) = 5; esp( 2,11) = 1.98532; con( 2,11) = -.00017
      nprin( 3) = 3; nazim( 3) = 0; nconf( 3) = 2; nterm( 3) =11
      nexp( 3, 1) = 1; esp( 3, 1) =55.30720; con( 3, 1) = -.00868
      nexp( 3, 2) = 1; esp( 3, 2) =37.80730; con( 3, 2) = -.23044
      nexp( 3, 3) = 2; esp( 3, 3) =27.92970; con( 3, 3) = -.38195
      nexp( 3, 4) = 2; esp( 3, 4) =23.69210; con( 3, 4) = 1.12481
      nexp( 3, 5) = 3; esp( 3, 5) =15.03530; con( 3, 5) =  .23955
      nexp( 3, 6) = 3; esp( 3, 6) =12.67230; con( 3, 6) =-1.41092
      nexp( 3, 7) = 4; esp( 3, 7) = 7.60195; con( 3, 7) = -.06111
      nexp( 3, 8) = 4; esp( 3, 8) = 5.73899; con( 3, 8) =  .02591
      nexp( 3, 9) = 5; esp( 3, 9) = 4.17583; con( 3, 9) = -.00759
      nexp( 3,10) = 5; esp( 3,10) = 2.99772; con( 3,10) =  .00353
      nexp( 3,11) = 5; esp( 3,11) = 1.98532; con( 3,11) = -.00076
      nprin( 4) = 4; nazim( 4) = 0; nconf( 4) = 2; nterm( 4) =11
      nexp( 4, 1) = 1; esp( 4, 1) =55.30720; con( 4, 1) =  .00237
      nexp( 4, 2) = 1; esp( 4, 2) =37.80730; con( 4, 2) =  .10784
      nexp( 4, 3) = 2; esp( 4, 3) =27.92970; con( 4, 3) =  .19149
      nexp( 4, 4) = 2; esp( 4, 4) =23.69210; con( 4, 4) = -.54498
      nexp( 4, 5) = 3; esp( 4, 5) =15.03530; con( 4, 5) = -.35456
      nexp( 4, 6) = 3; esp( 4, 6) =12.67230; con( 4, 6) = 1.13006
      nexp( 4, 7) = 4; esp( 4, 7) = 7.60195; con( 4, 7) = -.63451
      nexp( 4, 8) = 4; esp( 4, 8) = 5.73899; con( 4, 8) = -.58291
      nexp( 4, 9) = 5; esp( 4, 9) = 4.17583; con( 4, 9) = -.02272
      nexp( 4,10) = 5; esp( 4,10) = 2.99772; con( 4,10) =  .00218
      nexp( 4,11) = 5; esp( 4,11) = 1.98532; con( 4,11) = -.00092
      nprin( 5) = 5; nazim( 5) = 0; nconf( 5) = 2; nterm( 5) =11
      nexp( 5, 1) = 1; esp( 5, 1) =55.30720; con( 5, 1) =  .00070
      nexp( 5, 2) = 1; esp( 5, 2) =37.80730; con( 5, 2) =  .03815
      nexp( 5, 3) = 2; esp( 5, 3) =27.92970; con( 5, 3) =  .06768
      nexp( 5, 4) = 2; esp( 5, 4) =23.69210; con( 5, 4) = -.19267
      nexp( 5, 5) = 3; esp( 5, 5) =15.03530; con( 5, 5) = -.15274
      nexp( 5, 6) = 3; esp( 5, 6) =12.67230; con( 5, 6) =  .44776
      nexp( 5, 7) = 4; esp( 5, 7) = 7.60195; con( 5, 7) = -.30543
      nexp( 5, 8) = 4; esp( 5, 8) = 5.73899; con( 5, 8) = -.24664
      nexp( 5, 9) = 5; esp( 5, 9) = 4.17583; con( 5, 9) =  .27675
      nexp( 5,10) = 5; esp( 5,10) = 2.99772; con( 5,10) =  .59862
      nexp( 5,11) = 5; esp( 5,11) = 1.98532; con( 5,11) =  .30408
      nprin( 6) = 2; nazim( 6) = 1; nconf( 6) = 6; nterm( 6) = 9
      nexp( 6, 1) = 2; esp( 6, 1) =34.88440; con( 6, 1) =  .13527
      nexp( 6, 2) = 2; esp( 6, 2) =23.30470; con( 6, 2) =  .86575
      nexp( 6, 3) = 3; esp( 6, 3) =12.54120; con( 6, 3) =  .11362
      nexp( 6, 4) = 3; esp( 6, 4) =12.02300; con( 6, 4) = -.09833
      nexp( 6, 5) = 4; esp( 6, 5) = 7.72390; con( 6, 5) =  .00123
      nexp( 6, 6) = 4; esp( 6, 6) = 5.40562; con( 6, 6) = -.00028
      nexp( 6, 7) = 5; esp( 6, 7) = 3.32661; con( 6, 7) = -.00003
      nexp( 6, 8) = 5; esp( 6, 8) = 2.09341; con( 6, 8) =  .00004
      nexp( 6, 9) = 5; esp( 6, 9) = 1.36686; con( 6, 9) = -.00002
      nprin( 7) = 3; nazim( 7) = 1; nconf( 7) = 6; nterm( 7) = 9
      nexp( 7, 1) = 2; esp( 7, 1) =34.88440; con( 7, 1) =  .02765
      nexp( 7, 2) = 2; esp( 7, 2) =23.30470; con( 7, 2) =  .49883
      nexp( 7, 3) = 3; esp( 7, 3) =12.54120; con( 7, 3) = -.48416
      nexp( 7, 4) = 3; esp( 7, 4) =12.02300; con( 7, 4) = -.61656
      nexp( 7, 5) = 4; esp( 7, 5) = 7.72390; con( 7, 5) = -.05986
      nexp( 7, 6) = 4; esp( 7, 6) = 5.40562; con( 7, 6) =  .01605
      nexp( 7, 7) = 5; esp( 7, 7) = 3.32661; con( 7, 7) = -.00407
      nexp( 7, 8) = 5; esp( 7, 8) = 2.09341; con( 7, 8) =  .00238
      nexp( 7, 9) = 5; esp( 7, 9) = 1.36686; con( 7, 9) = -.00087
      nprin( 8) = 4; nazim( 8) = 1; nconf( 8) = 6; nterm( 8) = 9
      nexp( 8, 1) = 2; esp( 8, 1) =34.88440; con( 8, 1) = -.00908
      nexp( 8, 2) = 2; esp( 8, 2) =23.30470; con( 8, 2) = -.22945
      nexp( 8, 3) = 3; esp( 8, 3) =12.54120; con( 8, 3) = -.34216
      nexp( 8, 4) = 3; esp( 8, 4) =12.02300; con( 8, 4) = 1.02476
      nexp( 8, 5) = 4; esp( 8, 5) = 7.72390; con( 8, 5) = -.53369
      nexp( 8, 6) = 4; esp( 8, 6) = 5.40562; con( 8, 6) = -.67016
      nexp( 8, 7) = 5; esp( 8, 7) = 3.32661; con( 8, 7) = -.02313
      nexp( 8, 8) = 5; esp( 8, 8) = 2.09341; con( 8, 8) =  .00433
      nexp( 8, 9) = 5; esp( 8, 9) = 1.36686; con( 8, 9) = -.00136
      nprin( 9) = 5; nazim( 9) = 1; nconf( 9) = 6; nterm( 9) = 9
      nexp( 9, 1) = 2; esp( 9, 1) =34.88440; con( 9, 1) = -.00277
      nexp( 9, 2) = 2; esp( 9, 2) =23.30470; con( 9, 2) = -.07054
      nexp( 9, 3) = 3; esp( 9, 3) =12.54120; con( 9, 3) = -.18148
      nexp( 9, 4) = 3; esp( 9, 4) =12.02300; con( 9, 4) =  .40692
      nexp( 9, 5) = 4; esp( 9, 5) = 7.72390; con( 9, 5) = -.22741
      nexp( 9, 6) = 4; esp( 9, 6) = 5.40562; con( 9, 6) = -.21144
      nexp( 9, 7) = 5; esp( 9, 7) = 3.32661; con( 9, 7) =  .49354
      nexp( 9, 8) = 5; esp( 9, 8) = 2.09341; con( 9, 8) =  .53529
      nexp( 9, 9) = 5; esp( 9, 9) = 1.36686; con( 9, 9) =  .13666
      nprin(10) = 3; nazim(10) = 2; nconf(10) =10; nterm(10) = 5
      nexp(10, 1) = 3; esp(10, 1) =20.08240; con(10, 1) = -.19493
      nexp(10, 2) = 3; esp(10, 2) =11.78600; con(10, 2) = -.80743
      nexp(10, 3) = 4; esp(10, 3) = 7.30842; con(10, 3) = -.06830
      nexp(10, 4) = 4; esp(10, 4) = 4.88400; con(10, 4) =  .02129
      nexp(10, 5) = 4; esp(10, 5) = 3.19850; con(10, 5) = -.00536
      nprin(11) = 4; nazim(11) = 2; nconf(11) =10; nterm(11) = 5
      nexp(11, 1) = 3; esp(11, 1) =20.08240; con(11, 1) = -.08265
      nexp(11, 2) = 3; esp(11, 2) =11.78600; con(11, 2) = -.34860
      nexp(11, 3) = 4; esp(11, 3) = 7.30842; con(11, 3) =  .40928
      nexp(11, 4) = 4; esp(11, 4) = 4.88400; con(11, 4) =  .59391
      nexp(11, 5) = 4; esp(11, 5) = 3.19850; con(11, 5) =  .14481
    case default
      call write_error
      do ipr = 6,9,3
        write(ipr,110)
      end do
      stop
  end select

  return
  110 format(//' Les numero atomiques prevus vont de 2 a 54 pour ', ' les orbitales de Clementi et Roetti'//)
end

!***********************************************************************

!  Compute the normal part of the scattering amplitude for an atom at
!  a given wavelength and momentum transfer
!
!  input:
!    elemv: symbol for element and valence, this symbol one of the ones
!           tabulated in the subroutine symbf (see below)
!    s:     value of sin(theta)/lambda at which to calculate f0
!  output:
!    getf0: value of f0
!
!  The formula for reconstruction of f0 is:
!            4
!   f0(s) = sum [ ai*exp(-bi*s^2) ] + c ,    s = sin(theta) / lambda
!           i=1                            ==> (lambda*s / 2pi) is the
!                                               momentum transfer
!
!  coef: 1..9 corresponding to a1,b1,a2,b2,a3,b3,a4,b4,c

function getf0(elemv,s)

  use declarations
  implicit none
  
  integer, parameter:: ncoef = 9
  integer, parameter:: nvalnc = 214
  
  integer:: i, i0, ii, ivalnc

  character(len=4):: elemv, elv

  real(kind=db):: Crmann, getf0, s, s2, sum

  elv = elemv
  call symbf(elv, ivalnc)
  s2 = s**2

  i0 = ( ivalnc - 1 ) * ncoef
  ii = i0 + ncoef
  sum = Crmann(ii)
  do i = 1,ncoef-2,2
    ii = i0 + i
    sum = sum + Crmann(ii) * exp( - Crmann(ii+1) * s2 )
  end do

  getf0 = sum

  return
end

!***********************************************************************

subroutine symbf(symbol,ielmt)

!-----------------------------------------------------------------------
!  look up the element and valence for which to reconstruct f0
!-----------------------------------------------------------------------
!  i/o:  (either may be input, other is output)
!    symbol:  char*4 symbol for element and valence
!    ielmt:   integer [1..214] corresponding to symbol
!-----------------------------------------------------------------------

  integer:: i, ielmt, ipr
  
  character(len=4):: sym, symbol
  character(len=4), dimension(214):: s

  data (s(i),i=1,111) / 'H   ', 'H.  ', 'H1- ', 'He  ', 'Li  ', 'Li1+', 'Be  ', &
    'Be2+', 'B   ', 'C   ', 'C.  ', 'N   ', 'O   ', 'O1- ', 'F   ', &
    'F1- ', 'Ne  ', 'Na  ', 'Na1+', 'Mg  ', 'Mg2+', 'Al  ', 'Al3+', &
    'Si  ', 'Si. ', 'Si4+', 'S   ', 'P   ', 'Cl  ', 'Cl1-', 'Ar  ', &
    'K   ', 'K1+ ', 'Ca  ', 'Ca2+', 'Sc  ', 'Sc3+', 'Ti  ', 'Ti2+', &
    'Ti3+', 'Ti4+', 'V   ', 'V2+ ', 'V3+ ', 'V5+ ', 'Cr  ', 'Cr2+', &
    'Cr3+', 'Mn  ', 'Mn2+', 'Mn3+', 'Mn4+', 'Fe  ', 'Fe2+', 'Fe3+', &
    'Co  ', 'Co2+', 'Co3+', 'Ni  ', 'Ni2+', 'Ni3+', 'Cu  ', 'Cu1+', &
    'Cu2+', 'Zn  ', 'Zn2+', 'Ga  ', 'Ga3+', 'Ge  ', 'Ge4+', 'As  ', &
    'Se  ', 'Br  ', 'Br1-', 'Kr  ', 'Rb  ', 'Rb1+', 'Sr  ', 'Sr2+', &
    'Y   ', 'Y3+ ', 'Zr  ', 'Zr4+', 'Nb  ', 'Nb3+', 'Nb5+', 'Mo  ', &
    'Mo3+', 'Mo5+', 'Mo6+', 'Tc  ', 'Ru  ', 'Ru3+', 'Ru4+', 'Rh  ', &
    'Rh3+', 'Rh4+', 'Pd  ', 'Pd2+', 'Pd4+', 'Ag  ', 'Ag1+', 'Ag2+', &
    'Cd  ', 'Cd2+', 'In  ', 'In3+', 'Sn  ', 'Sn2+', 'Sn4+', 'Sb  '/
  data (s(i),i=112,214) / 'Sb3+', 'Sb5+', 'Te  ', 'I   ', 'I1- ', 'Xe  ', 'Cs  ', 'Cs1+', &
    'Ba  ', 'Ba2+', 'La  ', 'La3+', 'Ce  ', 'Ce3+', 'Ce4+', 'Pr  ', &
    'Pr3+', 'Pr4+', 'Nd  ', 'Nd3+', 'Pm  ', 'Pm3+', 'Sm  ', 'Sm3+', &
    'Eu  ', 'Eu2+', 'Eu3+', 'Gd  ', 'Gd3+', 'Tb  ', 'Tb3+', 'Dy  ', &
    'Dy3+', 'Ho  ', 'Ho3+', 'Er  ', 'Er3+', 'Tm  ', 'Tm3+', 'Yb  ', &
    'Yb2+', 'Yb3+', 'Lu  ', 'Lu3+', 'Hf  ', 'Hf4+', 'Ta  ', 'Ta5+', &
    'W   ', 'W6+ ', 'Re  ', 'Os  ', 'Os4+', 'Ir  ', 'Ir3+', 'Ir4+', &
    'Pt  ', 'Pt2+', 'Pt4+', 'Au  ', 'Au1+', 'Au3+', 'Hg  ', 'Hg1+', &
    'Hg2+', 'Tl  ', 'Tl1+', 'Tl3+', 'Pb  ', 'Pb2+', 'Pb4+', 'Bi  ', &
    'Bi3+', 'Bi5+', 'Po  ', 'At  ', 'Rn  ', 'Fr  ', 'Ra  ', 'Ra2+', &
    'Ac  ', 'Ac3+', 'Th  ', 'Th4+', 'Pa  ', 'U   ', 'U3+ ', 'U4+ ', &
    'U6+ ', 'Np  ', 'Np3+', 'Np4+', 'Np6+', 'Pu  ', 'Pu3+', 'Pu4+', 'Pu6+', 'Am  ', 'Cm  ', 'Bk  ', 'Cf  ', 'O2-.', '    '/

  sym  = symbol
  ielmt = 0
  do i = 1,214
    if( sym /= s(i) ) cycle
    ielmt = i
    exit
  end do

  if( ielmt == 0 ) then
    call write_error
    do ipr = 6,9,3
      write(ipr,110) sym
    end do
    stop
  endif

  return
  110 format(//' In symbf, symbol =',a4,' not known !'//)
end

!**********************************************************************

!  This block data subroutine contains the coefficients for
!  reconstruction of the normal part of the scattering factor. They are
!  tabulated in the international tables for x ray crystallography,
!  vol 4, p 99 of the 1974 edition
!-----------------------------------------------------------------------
!  how this data is used:
!    this is a confusing use of the fortran data statement so commentary
!    is in order.  take a look at p 99 of itxc before trying to figure
!    this out.  groups of 8 valences are set in the arrays a - z1.
!    they are entered sequentially as (a1,b1,a2,b2,a3,b3,a4,b4,c) for
!    each of the 8 valences.  these 27 arrays are eqivalenced to the
!    array aa which is of length 1926 (= 26*72 + 1*54 = all the numbers
!    in the tabulation in itxc).  in the subroutine that reconstructs
!    f0, aa is accessed as a two-dimensional array of size 9 x 214
!    (9 = # of coefficients, 214 = # of valences).  this is extremely
!    ugly fortran, but reformatting it would be a lot of work. :-(
!-----------------------------------------------------------------------
!  the formula for reconstruction of f0 is:
!            4
!    f(s) = sum [ ai*exp(-bi*s^2) ] + c ,    s = sin(theta) / lambda
!           i=1                            & (lambda*s / 2pi) is the momentum transfer
!-----------------------------------------------------------------------

function Crmann(ii)

  use declarations
  implicit none

  integer:: ii

!      dimension aa(ncoef, nvalnc)
  real, dimension(1926):: aa

  real, dimension(72):: a, b, c, d, e, f, g, h, i, j, k, l, m, n, o, p, q, r, s, t, u, v, w, x, y, z
  real, dimension(54):: z1
  
  real(kind=db):: Crmann

  equivalence (aa(1),   a(1)), (aa(73),  b(1)), (aa(145), c(1)), (aa(217), d(1)), (aa(289), e(1)), (aa(361), f(1)), &
              (aa(433), g(1)), (aa(505), h(1)), (aa(577), i(1)), (aa(649), j(1)), (aa(721), k(1)), (aa(793), l(1)), &
              (aa(865), m(1)), (aa(937), n(1)), (aa(1009),o(1)), (aa(1081),p(1)), (aa(1153),q(1)), (aa(1225),r(1)), &
              (aa(1297),s(1)), (aa(1369),t(1)), (aa(1441),u(1)), (aa(1513),v(1)), (aa(1585),w(1)), (aa(1657),x(1)), &
              (aa(1729),y(1)), (aa(1801),z(1)), (aa(1873),z1(1))

!  a contains h through be2+
  data a /.493002, 10.5109, .322912, 26.1257, .140191, 3.14236, &
    .040810, 57.7997, .003038, .489918, 20.6593, .262003, 7.74039, &
    .196767, 49.5519, .049879, 2.20159, .001305, .897661, 53.1368, &
    .565616, 15.1870, .415815, 186.576, .116973, 3.56709, .002389, &
    .8734, 9.1037, .6309, 3.3568, .3112, 22.9276, .1780, .9821, &
    .0064, 1.1282, 3.9546, .7508, 1.0524, .6175, 85.3905, .4653, &
    168.261, .0377, .6968, 4.6237, .7888, 1.9557, .3414, .6316, &
    .1563, 10.0953, .0167, 1.5919, 43.6427, 1.1278, 1.8623, .5391, &
    103.483, .7029, .5420, .0385, 6.2603, .0027, .8849, .8313, .7993, 2.2758, .1647, 5.1146, -6.1092/
!  b contains b through f1-
  data b /2.0545, 23.2185, 1.3326, 1.0210, 1.0979, 60.3498, .7068, .1403, -.1932, 2.3100, 20.8439, 1.0200, 10.2075, 1.5886, &
    .5687, .8650, 51.6512, .2156, 2.26069, 22.6907, 1.56165, .656665, 1.05075, 9.75618, .839259, 55.5949, .286977, 12.2126, &
    .0057, 3.1322, 9.8933, 2.0125, 28.9975, 1.1663, .5826, -11.529, 3.0485, 13.2771, 2.2868, 5.7011, 1.5463, .3239, &
    .8670, 32.9089, .2508, 4.19160, 12.8573, 1.63969, 4.17236, &
    1.52673, 47.0179, -20.307, -.01404, 21.9412, 3.5392, 10.2825, 2.6412, 4.2944, 1.5170, .2615, 1.0243, 26.1476, .2776, &
    3.63220, 5.27756, 3.51057, 14.7353, 1.26064, .442258, .940706, 47.3437, .653396/
!  c contains ne through si
  data c /3.9553, 8.4042, 3.1125, 3.4262, 1.4546, .2306, 1.1251, &
    21.7184, .3515, 4.7626, 3.2850, 3.1736, 8.8422, 1.2674, .3136, 1.1128, 129.424, .6760, 3.2565, 2.6671, 3.9362, 6.1153, &
    1.3998, .2001, 1.0032, 14.0390, .4040, 5.4204, 2.8275, 2.1735, 79.2611, 1.2269, .3808, 2.3073, 7.1937, .8584, &
    3.4988, 2.1676, 3.8378, 4.7542, 1.3284, .1850, .8497, 10.1411, .4853, 6.4202, 3.0387, 1.9002, .7426, 1.5936, &
    31.5472, 1.9646, 85.0886, 1.1151, 4.17448, 1.93816, 3.38760, 4.14553, 1.20296, .228753, .528137, 8.28524, &
    .706786, 6.2915, 2.4386, 3.0353, 32.3337, 1.9891, .6785, 1.5410, 81.6937, 1.1407/
!  d contains si. through k
  data d /5.66269, 2.66520, 3.07164, 38.6634, 2.62446, .916946, &
    1.39320, 93.5458, 1.24707, 4.43918, 1.64167, 3.20345, 3.43757, &
    1.19453, .214900, .416530, 6.65365, .746297, 6.9053, 1.4679, 5.2034, 22.2151, 1.4379, .2536, 1.5863, 56.1720, .8669, &
    6.4345, 1.9067, 4.1791, 27.1570, 1.7800, .5260, 1.4908, 68.1645, 1.1149, 11.4604, .0104, 7.1964, 1.1662, 6.2556, &
    18.5194, 1.6455, 47.7784, -9.5574, 18.2915, .0066, 7.2084, 1.1717, 6.5337, 19.5424, 2.3386, 60.4486, -16.378, 7.4845, &
    .9072, 6.7723, 14.8407, .6539, 43.8983, 1.6442, 33.3929, 1.4445, 8.2186, 12.7949, 7.4398, .7748, 1.0519, 213.187, &
    .8659, 41.6841, 1.4228/
!  e contains k1+ through ti3+
  data e /7.9578, 12.6331, 7.4917, .7674, 6.3590, -.0020, 1.1915, 31.9128, -4.9978, 8.6266, 10.4421, 7.3873, .6599, 1.5899, &
    85.7484, 1.0211, 178.437, 1.3751, 15.6348, -.0074, 7.9518, .6089, 8.4372, 10.3116, .8537, 25.9905, -14.875, 9.1890, &
    9.0213, 7.3679, .5729, 1.6409, 136.108, 1.4680, 51.3531, 1.3329, 13.4008, .298540, 8.02730, 7.96290, 1.65943, -.28604, &
    1.57936, 16.0662, -6.6667, 9.7595, 7.8508, 7.3558, .5000, 1.6991, 35.6338, 1.9021, 116.105, 1.2807, 9.11423, 7.52430, &
    7.62174, .457585, 2.27930, 19.5361, .087899, 61.6558, .897155, &
    17.7344, .220610, 8.73816, 7.04716, 5.25691, -.15762, 1.92134, 15.9768, -14.652/
!  f contains ti4+ through cr3+
  data f /19.5114, .178847, 8.23473, 6.67018, 2.01341, -.29263, 1.52080, 12.9464, -13.280, 10.2971, 6.8657, 7.3511, .4385, &
    2.0703, 26.8938, 2.0571, 102.478, 1.2199, 10.1060, 6.8818, 7.3541, .4409, 2.2884, 20.3004, .0223, 115.122, 1.2298, &
    9.43141, 6.39535, 7.74190, .383349, 2.15343, 15.1908, .016865, &
    63.9690, .656565, 15.6887, .679003, 8.14208, 5.40135, 2.03081, &
    9.97278, -9.5760, .940464, 1.71430, 10.6406, 6.1038, 7.3537, .3920, 3.3240, 20.2626, 1.4922, 98.7399, 1.1832, 9.54034, &
    5.66078, 7.75090, .344261, 3.58274, 13.3075, .509107, 32.4224, &
    .616898, 9.68090, 5.59463, 7.81136, .334393, 2.87603, 12.8288, .113575, 32.8761, .518275/
!  g contains mn through co
  data g /11.2819, 5.3409, 7.3573, .3432, 3.0193, 17.8674, 2.2441, 83.7543, 1.0896, 10.8061, 5.2796, 7.3620, .3435, 3.5268, &
    14.3430, .2184, 41.3235, 1.0874, 9.84521, 4.91797, 7.87194, &
    .294393, 3.56531, 10.8171, .323613, 24.1281, .393974, 9.96253, &
    4.84850, 7.97057, .283303, 2.76067, 10.4852, .054447, 27.5730, &
    .251877, 11.7695, 4.7611, 7.3573, .3072, 3.5222, 15.3535, 2.3045, 76.8805, 1.0369, 11.0424, 4.6538, 7.3740, .3053, &
    4.1346, 12.0546, .4399, 31.2809, 1.0097, 11.1764, 4.6147, 7.3863, .3005, 3.3948, 11.6729, .0724, 38.5566, .9707, &
    12.2841, 4.2791, 7.3409, .2784, 4.0034, 13.5359, 2.3488, 71.1692, 1.0118/
!  h contains co2+ through cu2+
  data h /11.2296, 4.1231, 7.3883, .2726, 4.7393, 10.2443, .7108, &
    25.6466, .9324, 10.3380, 3.90969, 7.88173, .238668, 4.76795, &
    8.35583, .725591, 18.3491, .286667, 12.8376, 3.8785, 7.2920, .2565, 4.4438, 12.1763, 2.3800, 66.3421, 1.0341, 11.4166, &
    3.6766, 7.4005, .2449, 5.3442, 8.8730, .9773, 22.1626, .8614, &
    10.7806, 3.54770, 7.75868, .223140, 5.22746, 7.64468, .847114, &
    16.9673, .386044, 13.3380, 3.5828, 7.1676, .2470, 5.6158, 11.3966, 1.6735, 64.8126, 1.1910, 11.9475, 3.3669, 7.3573, &
    .2274, 6.2455, 8.6625, 1.5578, 25.8487, .8900, 11.8168, 3.37484, 7.11181, .244078, 5.78135, 7.98760, 1.14523, &
    19.8970, 1.14431/
!  i contains zn through se
  data i /14.0743, 3.2655, 7.0318, .2333, 5.1652, 10.3163, 2.4100, 58.7097, 1.3041, 11.9719, 2.9946, 7.3862, .2031, 6.4668, &
    7.0826, 1.3940, 18.0995, .7807, 15.2354, 3.0669, 6.7006, .2412, 4.3591, 10.7805, 2.9623, 61.4135, 1.7189, 12.6920, &
    2.81262, 6.69883, .227890, 6.06692, 6.36441, 1.00660, 14.4122, &
    1.53545, 16.0816, 2.8509, 6.3747, .2516, 3.7068, 11.4468, 3.6830, 54.7625, 2.1313, 12.9172, 2.53718, 6.70003, .205855, &
    6.06791, 5.47913, .859041, 11.6030, 1.45572, 16.6723, 2.6345, 6.0701, .2647, 3.4313, 12.9479, 4.2779, 47.7972, 2.5310, &
    17.0006, 2.4098, 5.8196, .2726, 3.9731, 15.2372, 4.3543, 43.8163, 2.8409/
!  j contains br through y
  data j /17.1789, 2.1723, 5.2358, 16.5796, 5.6377, .2609, 3.9851, &
    41.4328, 2.9557, 17.1718, 2.2059, 6.3338, 19.3345, 5.5754, .2871, 3.7272, 58.1535, 3.1776, 17.3555, 1.9384, 6.7286, &
    16.5623, 5.5493, .2261, 3.5375, 39.3972, 2.8250, 17.1784, 1.7888, 9.6435, 17.3151, 5.1399, .2748, 1.5292, 164.934, &
    3.4873, 17.5816, 1.7139, 7.6598, 14.7957, 5.8981, .1603, 2.7817, 31.2087, 2.0782, 17.5663, 1.5564, 9.8184, 14.0988, &
    5.4220, .1664, 2.6694, 132.376, 2.5064, 18.0874, 1.4907, 8.1373, 12.6963, 2.5654, 24.5651, -34.193, -.0138, 41.4025, &
    17.7760, 1.40290, 10.2946, 12.8006, 5.72629, .125599, 3.26588, 104.354, 1.91213/
!  k contains y3+ through mo3+
  data k /17.9268, 1.35417, 9.15310, 11.2145, 1.76795, 22.6599, &
    -33.108, -.01319, 40.2602, 17.8765, 1.27618, 10.9480, 11.9160, &
    5.41732, .117622, 3.65721, 87.6627, 2.06929, 18.1668, 1.21480, &
    10.0562, 10.1483, 1.01118, 21.6054, -2.6479, -.10276, 9.41454, &
    17.6142, 1.18865, 12.0144, 11.7660, 4.04183, .204785, 3.53346, &
    69.7957, 3.75591, 19.8812, .019175, 18.0653, 1.13305, 11.0177, &
    10.1621, 1.94715, 28.3389, -12.912, 17.9163, 1.12446, 13.3417, &
    .028781, 10.7990, 9.28206, .337905, 25.7228, -6.3934, 3.7025, &
    .2772, 17.2356, 1.0958, 12.8876, 11.0040, 3.7429, 61.6584, &
    4.3875, 21.1664, .014734, 18.2017, 1.03031, 11.7423, 9.53659, 2.30951, 26.6307, -14.421/
!  l contains mo5+ through rh3+
  data l /21.0149, .014345, 18.0992, 1.02238, 11.4632, 8.78809, &
    .740625, 23.3452, -14.316, 17.8871, 1.03649, 11.1750, 8.48061, 6.57891, .058881, 0.0, 0.0, .344941, 19.1301, .864132, &
    11.0948, 8.14487, 4.64901, 21.5707, 2.71263, 86.8472, 5.40428, &
    19.2674, .808520, 12.9182, 8.43467, 4.86337, 24.7997, 1.56756, &
    94.2928, 5.37874, 18.5638, .847329, 13.2885, 8.37164, 9.32602, &
    .017662, 3.00964, 22.8870, -3.1892, 18.5003, .844582, 13.1787, &
    8.12534, 4.71304, .036495, 2.18535, 20.8504, 1.42357, 19.2957, &
    .751536, 14.3501, 8.21758, 4.73425, 25.8749, 1.28918, 98.6062, &
    5.32800, 18.8785, .764252, 14.1259, 7.84438, 3.32515, 21.2487, -6.1989, -.01036, 11.8678/
!  m contains rh4+ through cd
  data m /18.8545, .760825, 13.9806, 7.62436, 2.53464, 19.3317, &
    -5.6526, -.01020, 11.2835, 19.3319, .698655, 15.5017, 7.98929, &
    5.29537, 25.2052, .605844, 76.8986, 5.26593, 19.1701, .696219, 15.2096, 7.55573, 4.32234, 22.5057, 0.0, 0.0, 5.29160, &
    19.2493, .683839, 14.7900, 7.14833, 2.89289, 17.9144, -7.9492, &
    .005127, 13.0174, 19.2808, .6446, 16.6885, 7.4726, 4.8045, 24.6605, 1.0463, 99.8156, 5.1790, 19.1812, .646179, 15.9719, &
    7.19123, 5.27475, 21.7326, .357534, 66.1147, 5.21572, 19.1643, .645643, 16.2456, 7.18544, 4.37090, 21.4072, 0.0, 0.0, &
    5.21404, 19.2214, .5946, 17.6444, 6.9089, 4.4610, 24.7008, 1.6029, 87.4825, 5.0694/
!  n contains cd2+ through sb3+
  data n /19.1514, .597922, 17.2535, 6.80639, 4.47128, 20.2521, 0.0, 0.0, 5.11937, 19.1624, .5476, 18.5596, 6.3776, 4.2948, &
    25.8499, 2.0396, 92.8029, 4.9391, 19.1045, .551522, 18.1108, &
    6.32470, 3.78897, 17.3595, 0.0, 0.0, 4.99635, 19.1889, 5.8303, &
    19.1005, .5031, 4.4585, 26.8909, 2.4663, 83.9571, 4.7821, 19.1094, .5036, 19.0548, 5.8378, 4.5648, 23.3752, .4870, &
    62.2061, 4.7861, 18.9333, 5.7640, 19.7131, .4655, 3.4182, 14.0049, .0193, -.7583, 3.9182, 19.6418, 5.3034, 19.0455, &
    .4607, 5.0371, 27.9074, 2.6827, 75.2825, 4.5909, 18.9755, &
    .467196, 18.9330, 5.22126, 5.10789, 19.5902, .288753, 55.5113, 4.69626/
!  o contains sb5+ through ba
  data o /19.8685, 5.44853, 19.0302, .467973, 2.41253, 14.1259, 0.0, 0.0, 4.69263, 19.9644, 4.81742, 19.0138, .420885, &
    6.14487, 28.5284, 2.52390, 70.8403, 4.35200, 20.1472, 4.3470, 18.9949, .3814, 7.5138, 27.7660, 2.2735, 66.8776, &
    4.0712, 20.2332, 4.3579, 18.9970, .3815, 7.8069, 29.5259, 2.8868, 84.9304, 4.0714, 20.2933, 3.9282, 19.0298, .3440, &
    8.9767, 26.4659, 1.9900, 64.2658, 3.7118, 20.3892, 3.5690, 19.1062, .3107, 10.6620, 24.3879, 1.4953, 213.904, 3.3352, &
    20.3524, 3.5520, 19.1278, .3086, 10.2821, 23.7128, .9615, 59.4565, 3.2791, 20.3361, 3.2160, 19.2970, .2756, 10.8880, &
    20.2073, 2.6959, 167.202, 2.7731/
!  p contains ba2+ through pr3+
  data p /20.1807, 3.21367, 19.1136, .283310, 10.9054, 20.0558, .773634, 51.7460, 3.02902, 20.5780, 2.94817, 19.5990, &
    .244475, 11.3727, 18.7726, 3.28719, 133.124, 2.14678, 20.2489, &
    2.92070, 19.3763, .250698, 11.6323, 17.8211, .336048, 54.9453, &
    2.40860, 21.1671, 2.81219, 19.7695, .226836, 11.8513, 17.6083, &
    3.33049, 127.113, 1.86264, 20.8036, 2.77691, 19.5590, .231540, &
    11.9369, 16.5408, .612376, 43.1692, 2.09013, 20.3235, 2.65941, &
    19.8186, .218850, 12.1233, 15.7992, .144583, 62.2355, 1.59180, &
    22.0440, 2.77393, 19.6697, .222087, 12.3856, 16.7669, 2.82428, &
    143.644, 2.05830, 21.3727, 2.64520, 19.7491, .214299, 12.1329, 15.3230, .975180, 36.4065, 1.77132/
!  q contains pr4+ through eu
  data q /20.9413, 2.54467, 20.0539, .202481, 12.4668, 14.8137, &
    .296689, 45.4643, 1.24285, 22.6845, 2.66248, 19.6847, .210628, &
    12.7740, 15.8850, 2.85137, 137.903, 1.98486, 21.9610, 2.52722, &
    19.9339, .199237, 12.1200, 14.1783, 1.51031, 30.8717, 1.47588, &
    23.3405, 2.56270, 19.6095, .202088, 13.1235, 15.1009, 2.87516, &
    132.721, 2.02876, 22.5527, 2.41740, 20.1108, .185769, 12.0671, &
    13.1275, 2.07492, 27.4491, 1.19499, 24.0042, 2.47274, 19.4258, &
    .196451, 13.4396, 14.3996, 2.89604, 128.007, 2.20963, 23.1504, &
    2.31641, 20.2599, .174081, 11.9202, 12.1571, 2.71488, 24.8242, &
    .954586, 24.6274, 2.3879, 19.0886, .1942, 13.7603, 13.7546, 2.9227, 123.174, 2.5745/
!  r contains eu2+ through dy3+
  data r /24.0063, 2.27783, 19.9504, .173530, 11.8034, 11.6096, &
    3.87243, 26.5156, 1.36389, 23.7497, 2.22258, 20.3745, .163940, &
    11.8509, 11.3110, 3.26503, 22.9966, .759344, 25.0709, 2.25341, &
    19.0798, .181951, 13.8518, 12.9331, 3.54545, 101.398, 2.41960, &
    24.3466, 2.13553, 20.4208, .155525, 11.8708, 10.5782, 3.71490, &
    21.7029, .645089, 25.8976, 2.24256, 18.2185, .196143, 14.3167, &
    12.6648, 2.95354, 115.362, 3.58324, 24.9559, 2.05601, 20.3271, &
    .149525, 12.2471, 10.0499, 3.77300, 21.2773, .691967, 26.5070, &
    2.18020, 17.6383, .202172, 14.5596, 12.1899, 2.96577, 111.874, &
    4.29728, 25.5395, 1.98040, 20.2861, .143384, 11.9812, 9.34972, 4.50073, 19.5810, .689690/
!  s contains ho through yb2+
  data s /26.9049, 2.07051, 17.2940, .197940, 14.5583, 11.4407, &
    3.63837, 92.6566, 4.56796, 26.1296, 1.91072, 20.0994, .139358, &
    11.9788, 8.80018, 4.93676, 18.5908, .852795, 27.6563, 2.07356, &
    16.4285, .223545, 14.9779, 11.3604, 2.98233, 105.703, 5.92046, &
    26.7220, 1.84659, 19.7748, .137290, 12.1506, 8.36225, 5.17379, &
    17.8974, 1.17613, 28.1819, 2.02859, 15.8851, .238849, 15.1542, &
    10.9975, 2.98706, 102.961, 6.75621, 27.3083, 1.78711, 19.3320, &
    .136974, 12.3339, 7.96778, 5.38348, 17.2922, 1.63929, 28.6641, &
    1.98890, 15.4345, .257119, 15.3087, 10.6647, 2.98963, 100.417, &
    7.56672, 28.1209, 1.78503, 17.6817, .159970, 13.3335, 8.18304, 5.14657, 20.3900, 3.70983/
!  t contains yb3+ through w
  data t /27.8917, 1.73272, 18.7614, .138790, 12.6072, 7.64412, &
    5.47647, 16.8153, 2.26001, 28.9476, 1.90182, 15.2208, 9.98519, &
    15.1000, .261033, 3.71601, 84.3298, 7.97628, 28.4628, 1.68216, &
    18.1210, .142292, 12.8429, 7.33727, 5.59415, 16.3535, 2.97573, &
    29.1440, 1.83262, 15.1726, 9.59990, 14.7586, .275116, 4.30013, &
    72.0290, 8.58154, 28.8131, 1.59136, 18.4601, .128903, 12.7285, &
    6.76232, 5.59927, 14.0366, 2.39699, 29.2024, 1.77333, 15.2293, &
    9.37046, 14.5135, .295977, 4.76492, 63.3644, 9.24354, 29.1587, &
    1.50711, 18.8407, .116741, 12.8268, 6.31524, 5.38695, 12.4244, &
    1.78555, 29.0818, 1.72029, 15.4300, 9.22590, 14.4327, .321703, 5.11982, 57.0560, 9.88750/
!  u contains w6+ through pt
  data u /29.4936, 1.42755, 19.3763, .104621, 13.0544, 5.93667, &
    5.06412, 11.1972, 1.01074, 28.7621, 1.67191, 15.7189, 9.09227, &
    14.5564, .350500, 5.44174, 52.0861, 10.4720, 28.1894, 1.62903, &
    16.1550, 8.97948, 14.9305, .382661, 5.67589, 48.1647, 11.0005, &
    30.4190, 1.37113, 15.2637, 6.84706, 14.7458, .165191, 5.06795, &
    18.0030, 6.49804, 27.3049, 1.59279, 16.7296, 8.86553, 15.6115, &
    .417916, 5.83377, 45.0011, 11.4722, 30.4156, 1.34323, 15.8620, &
    7.10909, 13.6145, .204633, 5.82008, 20.3254, 8.27903, 30.7058, &
    1.30923, 15.5512, 6.71983, 14.2326, .167252, 5.53672, 17.4911, &
    6.96824, 27.0059, 1.51293, 17.7639, 8.81174, 15.7131, .424593, 5.78370, 38.6103, 11.6883/
!  v contains pt2+ through hg2+
  data v /29.8429, 1.32927, 16.7224, 7.38979, 13.2153, .263297, 6.35234, 22.9426, 9.85329, 30.9612, 1.24813, 15.9829, &
    6.60834, 13.7348, .168640, 5.92034, 16.9392, 7.39534, 16.8819, &
    .4611, 18.5913, 8.6216, 25.5582, 1.4826, 5.8600, 36.3956, &
    12.0658, 28.0109, 1.35321, 17.8204, 7.73950, 14.3359, .356752, &
    6.58077, 26.4043, 11.2299, 30.6886, 1.21990, 16.9029, 6.82872, &
    12.7801, .212867, 6.52354, 18.6590, 9.09680, 20.6809, .5450, &
    19.0417, 8.4484, 21.6575, 1.5729, 5.9676, 38.3246, 12.6089, &
    25.0853, 1.39507, 18.4973, 7.65105, 16.8883, .443378, 6.48216, &
    28.2262, 12.0205, 29.5641, 1.21152, 18.0600, 7.05639, 12.8374, .284738, 6.89912, 20.7482, 10.6268/
!  w contains tl through bi3+
  data w /27.5446, .655150, 19.1584, 8.70751, 15.5380, 1.96347, &
    5.52593, 45.8149, 13.1746, 21.3985, 1.47110, 20.4723, .517394, &
    18.7478, 7.43463, 6.82847, 28.8482, 12.5258, 30.8695, 1.10080, &
    18.3841, 6.53852, 11.9328, .219074, 7.00574, 17.2114, 9.80270, &
    31.0617, .6902, 13.0637, 2.3576, 18.4420, 8.6180, 5.9696, &
    47.2579, 13.4118, 21.7886, 1.33660, 19.5682, .488383, 19.1406, &
    6.77270, 7.01107, 23.8132, 12.4734, 32.1244, 1.00566, 18.8003, &
    6.10926, 12.0175, .147041, 6.96886, 14.7140, 8.08428, 33.3689, &
    .7040, 12.9510, 2.9238, 16.5877, 8.7937, 6.4692, 48.0093, &
    13.5782, 21.8053, 1.23560, 19.5026, 6.24149, 19.1053, .469999, 7.10295, 20.3185, 12.4711/
!  x contains bi5+ through ac
  data x /33.5364, .916540, 25.0946, .039042, 19.2497, 5.71414, &
    6.91555, 12.8285, -6.7994, 34.6726, .700999, 15.4733, 3.55078, &
    13.1138, 9.55642, 7.02588, 47.0045, 13.6770, 35.3163, .685870, &
    19.0211, 3.97458, 9.49887, 11.3824, 7.42518, 45.4715, 13.7108, &
    35.5631, .6631, 21.2816, 4.0691, 8.0037, 14.0422, 7.4433, &
    44.2473, 13.6905, 35.9299, .646453, 23.0547, 4.17619, 12.1439, &
    23.1052, 2.11253, 150.645, 13.7247, 35.7630, .616341, 22.9064, &
    3.87135, 12.4739, 19.9887, 3.21097, 142.325, 13.6211, 35.2150, &
    .604909, 21.6700, 3.57670, 7.91342, 12.6010, 7.65078, 29.8436, &
    13.5431, 35.6597, .589092, 23.1032, 3.65155, 12.5977, 18.5990, 4.08655, 117.020, 13.5266/
!  y contains ac3+ through u6+
  data y /35.1736, .579689, 22.1112, 3.41437, 8.19216, 12.9187, &
    7.05545, 25.9443, 13.4637, 35.5645, .563359, 23.4219, 3.46204, &
    12.7473, 17.8309, 4.80703, 99.1722, 13.4314, 35.1007, .555054, &
    22.4418, 3.24498, 9.78554, 13.4661, 5.29444, 23.9533, 13.3760, &
    35.8847, .547751, 23.2948, 3.41519, 14.1891, 16.9235, 4.17287, &
    105.251, 13.4287, 36.0228, .5293, 23.4128, 3.3253, 14.9491, &
    16.0927, 4.1880, 100.613, 13.3966, 35.5747, .520480, 22.5259, &
    3.12293, 12.2165, 12.7148, 5.37073, 26.3394, 13.3092, 35.3715, &
    .516598, 22.5326, 3.05053, 12.0291, 12.5723, 4.79840, 23.4582, &
    13.2671, 34.8509, .507079, 22.7584, 2.89030, 14.0099, 13.1767, 1.21457, 25.2017, 13.1665/
!  z contains np through pu6+
  data z /36.1874, .511929, 23.5964, 3.25396, 15.6402, 15.3622, &
    4.18550, 97.4908, 13.3573, 35.0136, .489810, 22.7286, 2.81099, &
    14.3884, 12.3300, 1.75669, 22.6581, 13.1130, 36.5254, .499384, &
    23.8083, 3.26371, 16.7707, 14.9455, 3.47947, 105.980, 13.3812, &
    35.7074, .502322, 22.6130, 3.03807, 12.9898, 12.1449, 5.43227, &
    25.4928, 13.2544, 35.5103, .498626, 22.5787, 2.96627, 12.7766, &
    11.9484, 4.92159, 22.7502, 13.2116, 35.8400, .484938, 22.7169, &
    2.96118, 13.5807, 11.5331, 5.66016, 24.3992, 13.1991, 35.6493, &
    .481422, 22.6460, 2.89020, 13.3595, 11.3160, 5.18831, 21.8301, &
    13.1555, 35.1736, .473204, 22.7181, 2.73848, 14.7635, 11.5530, 2.28678, 20.9303, 13.0582/
!  z1 contains am through cf + 02. & '    '
  data z1 /36.6706, .483629, 24.0992, 3.20647, 17.3415, 14.3136, &
    3.49331, 102.273, 13.3592, 36.6488, .465154, 24.4096, 3.08997, &
    17.3990, 13.4346, 4.21665, 88.4834, 13.2887, 36.7881, .451018, &
    24.7736, 3.04619, 17.8919, 12.8946, 4.23284, 86.0030, 13.2754, 36.9185, 0.437533, 25.1995, 3.00775, 18.3317, 12.4044, &
    4.24391, 83.7881, 13.2674, 4.758, 7.831, 3.637, 30.05, 0., 0., 0., 0., 1.594, 0., 0., 0., 0., 0., 0., 0., 0., 1./

  Crmann = real( aa(ii), db )

end

