File: Huz-IVsu4

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file content (493 lines) | stat: -rw-r--r-- 32,067 bytes parent folder | download | duplicates (3)
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$Basis = Huz-IVsu4

$Elements supported
$H C N O F P S
$
$  REFERENCE
$
a 1
$ HYDROGEN     (10s,3p,1d) -> [10s,3p,1d]
$ S-TYPE FUNCTIONS
   10   10    0
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     0.0         0.0         0.0         0.000000000
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     0.0         0.0         0.0         0.000000000
  3016.043900    0.0         0.0         1.0         0.0         0.0         0.000000000
     0.0         0.0         0.0         0.000000000
   453.402200    0.0         0.0         0.0         1.0         0.0         0.000000000
     0.0         0.0         0.0         0.000000000
    68.160000    0.0         0.0         0.0         0.0         1.0         0.000000000
     0.0         0.0         0.0         0.000000000
    10.246500    0.0         0.0         0.0         0.0         0.0         1.000000000
     0.0         0.0         0.0         0.000000000
     2.346480    0.0         0.0         0.0         0.0         0.0         0.000000000
     1.0         0.0         0.0         0.000000000
     0.673320    0.0         0.0         0.0         0.0         0.0         0.000000000
     0.0         1.0         0.0         0.000000000
     0.224660    0.0         0.0         0.0         0.0         0.0         0.000000000
     0.0         0.0         1.0         0.000000000
     0.082217    0.0         0.0         0.0         0.0         0.0         0.000000000
     0.0         0.0         0.0         1.000000000
$ P-TYPE FUNCTIONS
    3    3    0
     1.60        1.0         0.0         0.000000000
     0.40        0.0         1.0         0.000000000
     0.10        0.0         0.0         1.000000000
$ D-TYPE FUNCTIONS
    1    1    0
     0.65        1.000000000
a 6
$ CARBON       (15s,7p,3d,1f) -> [15s,7p,3d,1f]
$ S-TYPE FUNCTIONS
   15   15    0
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     0.0         0.0         0.0         0.0         0.0         0.0         0.000000000
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     0.0         0.0         0.0         0.0         0.0         0.0         0.000000000
     0.0         0.000000000
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     0.0         0.0         0.0         0.0         0.0         0.0         0.000000000
     0.0         0.000000000
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     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  1.000000000
$ P-TYPE FUNCTIONS
    7    7    0
    40.79042300  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     9.50346330  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     2.94083570  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     1.07511150  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000
     0.42670240  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000
     0.17481926  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000
     0.07113054  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
     3.2         1.0         0.0         0.000000000
     0.8         0.0         1.0         0.000000000
     0.2         0.0         0.0         1.000000000
$ F-TYPE FUNCTIONS
    1    1    0
     1.0         1.000000000
a 7
$ NITROGEN     (15s,7p,3d,1f) -> [15s,7p,3d,1f]
$ S-TYPE FUNCTIONS
   15   15    0
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     0.00000000   0.0         0.0         0.0         0.0         0.0         0.000000000
     0.0          0.000000000 
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     0.00000000   0.000000000
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     0.00000000   0.0         0.0         0.0         0.0         0.0         0.000000000
     0.0          0.000000000
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     0.0          0.000000000
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     1.00000000   0.0         0.0         0.0         0.0         0.0         0.000000000
     0.0          0.000000000
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     0.00000000   1.0         0.0         0.0         0.0         0.0         0.000000000
     0.0          0.000000000
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     0.00000000   0.0         1.0         0.0         0.0         0.0         0.000000000
     0.0          0.000000000
    23.42439700   0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000   0.0         0.0         1.0         0.0         0.0         0.000000000
     0.0          0.000000000
     8.66937660   0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000   0.0         0.0         0.0         1.0         0.0         0.000000000
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     3.42175330   0.0         0.0         0.0         0.0         0.0         0.000000000
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     0.00000000   0.0         0.0         0.0         0.0         0.0         0.000000000
     1.0          0.000000000
     0.13311530   0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000   0.0         0.0         0.0         0.0         0.0         0.000000000
     0.0          1.000000000
$ P-TYPE FUNCTIONS
    7    7    0
    60.31724000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
    14.10081100  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     4.38771790  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     1.60827170  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000
     0.63885442  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000
     0.26035829  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000
     0.10396545  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
     3.20000000  1.00000000  0.00000000  0.00000000
     0.80000000  0.00000000  1.00000000  0.00000000
     0.20000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     1.00000000  1.00000000
a 8
$ OXYGEN       (15s,7p,3d,1f) -> [15s,7p,3d,1f]
$ S-TYPE FUNCTIONS
   15   15    0
 61986673.00000  1.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
 9244485.100000  0.0         1.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
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     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
 205613.4600000  0.0         0.0         0.0         1.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
 30664.50300000  0.0         0.0         0.0         0.0         1.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
  4573.20140000  0.0         0.0         0.0         0.0         0.0         1.000000000
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     0.00000000  0.000000000                                                            
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     0.00000000  0.000000000                                                            
   285.90474000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  1.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
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     0.00000000  0.000000000                                                            
    31.21957800  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         1.0         0.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
    11.60776600  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         1.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
     4.59275950  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         1.0         0.000000000
     0.00000000  0.000000000                                                            
     1.27117160  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         1.000000000
     0.00000000  0.000000000                                                            
     0.47214017  0.0         0.0         0.0         0.0         0.0         0.000000000
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     1.00000000  0.000000000                                                            
     0.17896534  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  1.000000000
$P-TYPE FUNCTIONS
    7    7    0
    78.70294300  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
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     0.33907630  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000
     0.13226310  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
     3.20000000  1.00000000  0.00000000  0.00000000
     0.80000000  0.00000000  1.00000000  0.00000000
     0.20000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     1.00000000  1.00000000
a 9
$ FLUORINE     (15s,7p,3d,1f) -> [15s,7p,3d,1f]
$ S-TYPE FUNCTIONS
   15   15    0
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     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
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     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
 1561074.800000  0.0         0.0         1.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
 242711.1800000  0.0         0.0         0.0         1.0         0.0         0.000000000
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     0.00000000  0.000000000                                                            
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     0.00000000  0.000000000                                                            
  5867.07910000  0.0         0.0         0.0         0.0         0.0         1.000000000
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     0.00000000  0.000000000                                                            
  1332.46790000  0.0         0.0         0.0         0.0         0.0         0.000000000
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     0.00000000  0.000000000                                                            
   369.44060000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  1.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
   116.84300000  0.0         0.0         0.0         0.0         0.0         0.000000000
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     0.00000000  0.000000000                                                            
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     0.00000000  0.000000000                                                            
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     0.00000000  0.0         0.0         0.0         1.0         0.0         0.000000000
     0.00000000  0.000000000                                                            
     5.87592950  0.0         0.0         0.0         0.0         0.0         0.000000000
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     0.00000000  0.000000000                                                            
     1.65333520  0.0         0.0         0.0         0.0         0.0         0.000000000
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     0.00000000  0.000000000                                                            
     0.61083583  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     1.00000000  0.000000000                                                            
     0.23328922  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000  
     0.00000000  1.000000000

$ P-TYPE FUNCTIONS
    7    7    0
   102.26192000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
    23.93838100  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     7.52059140  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     2.77245660  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000
     1.10005140  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000
     0.44677512  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000
     0.17187009  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ D-TYPE FUNCTIONS
    3    3    0
     3.20000000  1.00000000  0.00000000  0.00000000
     0.80000000  0.00000000  1.00000000  0.00000000
     0.20000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    1    1    0
     1.00000000  1.00000000
a 15
$ PHOSPHORUS   (16s,8p,4d,2f) -> [16s,8p,4d,2f]
$ S-TYPE FUNCTIONS
   16   16    0
 154026700.0000  1.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                            
 23068100.00000  0.0         1.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                           
 3454837.200000  0.0         0.0         1.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                           
 517420.1600000  0.0         0.0         0.0         1.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                           
 77492.39800000  0.0         0.0         0.0         0.0         1.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                           
 11605.79400000  0.0         0.0         0.0         0.0         0.0         1.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                           
  2645.96280000  0.0         0.0         0.0         0.0         0.0         0.000000000
     1.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
   753.97763000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  1.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
   248.75403000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         1.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
    91.15662300  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         1.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
    36.22561800  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         1.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
    15.21115500  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         1.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
     4.71394850  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         1.000000000
     0.00000000  0.000000000 0.000000000                                                            
     1.78254320  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     1.00000000  0.000000000 0.000000000                                                            
     0.34271273  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  1.000000000 0.000000000
     0.12471095  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 1.000000000
$ P-TYPE FUNCTIONS
    8    8    0
   447.03882000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   108.29827000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    34.76738800  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    12.58337900  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     4.69885490  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000
     1.75275990  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000
     0.42209549  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000
     0.12532092  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    4    4    0
     9.60000000  1.00000000  0.00000000  0.00000000  0.00000000
     2.40        0.00000000  1.00000000  0.00000000  0.00000000
     0.60        0.00000000  0.00000000  1.00000000  0.00000000
     0.15        0.00000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    2    2    0
     1.50000000  1.0         0.00000000
     0.5         0.00000000  1.00000000
a 16
$ SULFUR       (16s,8p,4d,2f) -> [16s,8p,4d,2f]
$ S-TYPE FUNCTIONS
   16   16    0
 197259100.0000  1.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
 29158748.00000  0.0         1.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
 4310230.500000  0.0         0.0         1.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
 637135.9700000  0.0         0.0         0.0         1.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
 94181.10000000  0.0         0.0         0.0         0.0         1.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
 13921.80000000  0.0         0.0         0.0         0.0         0.0         1.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
  3168.04000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     1.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
   901.84300000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  1.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
   296.95400000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         1.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
   108.66900000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         1.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
    43.15790000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         1.0         0.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
    18.11680000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         1.0         0.000000000
     0.00000000  0.000000000 0.000000000                                                             
     5.57096000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         1.000000000
     0.00000000  0.000000000 0.000000000                                                             
     2.14287000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     1.00000000  0.000000000 0.000000000                                                             
     0.43438900  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  1.000000000 0.000000000                                                
     0.15709300  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.0         0.0         0.0         0.0         0.0         0.000000000
     0.00000000  0.000000000 1.000000000
$ P-TYPE FUNCTIONS
    8    8    0
   532.03127000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   126.63701000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    39.75234800  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    14.14024300  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     5.26069100  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000
     2.00635500  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000
     0.51597093  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000
     0.14946546  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    4    4    0
     9.60000000  1.00000000  0.00000000  0.00000000  0.00000000
     2.40        0.00000000  1.00000000  0.00000000  0.00000000
     0.60        0.00000000  0.00000000  1.00000000  0.00000000
     0.15        0.00000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    2    2    0
     1.50000000  1.0         0.000000000
     0.5         0.00000000  1.000000000