ergo 3.5-1+b1 / usr / share / ergo / basis / sad-J

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/usr/share/ergo/basis/sad-J is in ergo 3.5-1+b1.

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The actual contents of the file can be viewed below. 

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$sad-J
$
$  REFERENCE   P. F. Provasi, G. A. Aucar and S. P. A. Sauer, J. Chem. Phys. 115, 1324 (2001) 
$              A. J. Sadlej, Coll. Czech. Chem. Commun. 53,1995 (1988).
$              A. J. Sadlej, Theor. Chim. Acta 79, 123 (1991).
$
a 1
$ HYDROGEN     (10s,4p) -> [6s,4p]
$ S-TYPE FUNCTIONS
   10    6    0
  64369.360000   0.4290D-06  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   9735.731200   0.3152D-05  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
   1472.509000   0.00004345  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
    222.713910   0.0003685   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     33.685014   0.004744    0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      5.094788   0.03714     1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      1.158786   0.1561      0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      0.325840   0.2850      0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
      0.102741   0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.032400   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    4    4    0
      1.158800   1.00000000  0.00000000  0.00000000  0.00000000
      0.325800   0.00000000  1.00000000  0.00000000  0.00000000
      0.102700   0.00000000  0.00000000  1.00000000  0.00000000
      0.032400   0.00000000  0.00000000  0.00000000  1.00000000
a 6
$ CARBON       (14s,5p,4d) -> [9s,5p,4d]
$ S-TYPE FUNCTIONS
   14    9    0
 10559364.0000   0.7243D-07  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
 1576065.70000   0.5439D-06  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
 235239.830000   0.7599D-05  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  35111.339000   0.00006578  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   5240.635300   0.0008644   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    782.204800   0.007289    0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    178.350830   0.03624     1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     50.815942   0.1306      0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     16.823562   0.3185      0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
      6.175776   0.4379      0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
      2.418049   0.2150      0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000  0.00000000
      0.511900   0.01366     0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000  0.00000000
      0.156590   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000  0.00000000
      0.047900   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    5    0
     18.841800   0.009572    0.00000000  0.00000000  0.00000000  0.00000000
      4.159240   0.05688     0.00000000  0.00000000  0.00000000  0.00000000
      1.206710   0.1904      1.00000000  0.00000000  0.00000000  0.00000000
      0.385540   0.3126      0.00000000  1.00000000  0.00000000  0.00000000
      0.121940   0.000000    0.00000000  0.00000000  1.00000000  0.00000000
      0.038568   0.000000    0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    4    4    0
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      0.121940   0.00000000  0.00000000  1.00000000  0.00000000
      0.038658   0.00000000  0.00000000  0.00000000  1.00000000
a 7
$ NITROGEN     (14s,5p,2d) -> [9s,5p,4d]
$ S-TYPE FUNCTIONS
   14    9    0
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     0.00000000  0.00000000  0.00000000
 2398773.90000   0.4664D-06  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000
 359937.660000   0.6681D-05  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000
  54008.894000    0.00005595  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000
   8104.071600    0.0007481   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000
   1216.021500    0.006131    0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000
    277.234280    0.03202     1.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000
     76.904023    0.1176      0.00000000  1.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000
     25.874419    0.2934      0.00000000  0.00000000  1.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000
      9.346767    0.4510      0.00000000  0.00000000  0.00000000  1.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000
      3.579794    0.2422      0.00000000  0.00000000  0.00000000  0.00000000  1.00000000 
     0.00000000  0.00000000  0.00000000
      0.739610    0.01667     0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     1.00000000  0.00000000  0.00000000
      0.222617    0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  1.00000000  0.00000000
      0.067006    0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
    6    5    0
     26.868987   0.01025     0.00000000  0.00000000  0.00000000  0.00000000
      5.991227   0.06293     0.00000000  0.00000000  0.00000000  0.00000000
      1.750842   0.2029      1.00000000  0.00000000  0.00000000  0.00000000
      0.560511   0.3292      0.00000000  1.00000000  0.00000000  0.00000000
      0.175948   0.0         0.00000000  0.00000000  1.00000000  0.00000000
      0.055231   0.0         0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    4    4    0
      1.750842   1.00000000  0.00000000  0.00000000  0.00000000
      0.560511   0.00000000  1.00000000  0.00000000  0.00000000
      0.175948   0.00000000  0.00000000  1.00000000  0.00000000
      0.055231   0.00000000  0.00000000  0.00000000  1.00000000
a 8
$ OXYGEN       (14s,5p,4d) -> [9s,5p,4d]
$ S-TYPE FUNCTIONS
   14    9    0
 21041985.0000   0.6340D-07  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
 3157022.00000   0.4746D-06  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
 473661.950000   0.6562D-05  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
  71065.594000   0.00005664  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
  10662.285000   0.0007370   0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
   1599.709700   0.006210    0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
    364.725260   0.03108     1.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
    103.651790   0.1157      0.00000000  1.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
     33.905805   0.3012      0.00000000  0.00000000  1.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
     12.287469   0.4453      0.00000000  0.00000000  0.00000000  1.00000000  0.00000000 
     0.00000000  0.00000000  0.00000000                                                 
      4.756805   0.2421      0.00000000  0.00000000  0.00000000  0.00000000  1.00000000 
     0.00000000  0.00000000  0.00000000                                                 
      1.004271   0.01646     0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     1.00000000  0.00000000  0.00000000                                                 
      0.300686   0.0         0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  1.00000000  0.00000000                                                 
      0.090030   0.0         0.00000000  0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  1.00000000                                                 
$ P-TYPE FUNCTIONS
    6    5    0
     34.856463   0.01170     0.00000000  0.00000000  0.00000000  0.00000000
      7.843131   0.07193     0.00000000  0.00000000  0.00000000  0.00000000
      2.306249   0.2251      1.00000000  0.00000000  0.00000000  0.00000000
      0.723164   0.3590      0.00000000  1.00000000  0.00000000  0.00000000
      0.214882   0.0         0.00000000  0.00000000  1.00000000  0.00000000
      0.063850   0.0         0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    4    4    0
      2.306200   1.00000000  0.00000000  0.00000000  0.00000000
      0.723200   0.00000000  1.00000000  0.00000000  0.00000000
      0.214900   0.00000000  0.00000000  1.00000000  0.00000000
      0.063900   0.00000000  0.00000000  0.00000000  1.00000000
a 16
$ SULFUR       (17s,10p,6d) -> [9s,7p,6d]
$ S-TYPE FUNCTIONS
   17    9    0
 255547377.0000  0.1678D-07 -0.4654D-08  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
 35889284.00000  0.1332D-06 -0.3655D-07  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
 5040320.700000  0.2069D-05 -0.5736D-06  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
 707866.8100000  0.00001879 -0.5162D-05  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
 99413.40000000  0.0002739  -0.00007591  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
 13961.70000000  0.002435   -0.0006702   0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  3169.90000000  0.01231    -0.003451    0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   902.46000000  0.04909    -0.01382     0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   297.16000000  0.1509     -0.04600     0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   108.70200000  0.3319     -0.1127      0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    43.15500000  0.4085     -0.2054      1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    18.10800000  0.1856     -0.09117     0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     5.57050000  0.01241     0.5311      0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     2.14270000 -0.001590    0.5853      0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000  0.00000000
     0.43400000  0.0         0.0         0.00000000  0.00000000  0.00000000  0.00000000 
     1.00000000  0.00000000  0.00000000
     0.15700000  0.0         0.0         0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  1.00000000  0.00000000
     0.05680000  0.0         0.0         0.00000000  0.00000000  0.00000000  0.00000000 
     0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   10    7    0
   495.04000000  0.003123   -0.0007635   0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  
   117.22000000  0.02425    -0.005903    0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  
    37.50700000  0.1061     -0.02676     0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  
    13.91000000  0.2830     -0.07236     0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  
     5.50450000  0.4394     -0.1225      0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  
     2.24330000  0.3139     -0.07018     1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  
     0.77620000  0.04541     0.2614      0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  
     0.29190000  0.0         0.0         0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  
     0.10290000  0.0         0.0         0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  
     0.03630000  0.0         0.0         0.00000000  0.00000000  0.00000000  0.00000000 
     1.00000000  
$ D-TYPE FUNCTIONS
    6    6    0
      5.4885000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      2.0640000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
      0.7762000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
      0.2919000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  
      0.1029000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
      0.0363000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000


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