File: aug-cc-pV(6+d)Z

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file content (734 lines) | stat: -rw-r--r-- 40,094 bytes parent folder | download | duplicates (2)
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$ Basis = aug-cc-pV(6+d)Z                                                        
$
$ Supported Elements
$ Al Si P S Cl Ar
$
$ REFERENCES
$ Elements                             References
$ --------                             ----------
$ Al - Ar:   T. H. Dunning, Jr., K.A. Peterson and A.K. Wilson, 
$            J. Chem. Phys., 114, 2944 (2001).
$
$  Polarization and/or diffuse functions
$ Elements                             References
$ --------                             ---------
$ Al- Ar:    T.H. Dunning, Jr., K.A. Peterson and A.K. Wilson,      
$            J. Chem. Phys., 114, 9244 (2001)  
$
************************************************************************
a 13
$ ALUMINUM     (21s,14p,6d,4f,3g,2h,1i) -> [8s,7p,6d,4f,3g,2h,1i]               
$ ALUMINUM     (1s,1p,1d,1f,1g,1h,1i)                                           
$ S-TYPE FUNCTIONS
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$ P-TYPE FUNCTIONS
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     0.03069000 -0.00014140  0.71634400  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000
     0.01021000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    7    7    0
     4.24000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     0.85000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
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     0.02370000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ F-TYPE FUNCTIONS
    5    5    0
     0.87560000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.44720000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
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     0.11670000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.04625000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ G-TYPE FUNCTIONS
    4    4    0
     0.69520000  1.00000000  0.00000000  0.00000000  0.00000000
     0.37710000  0.00000000  1.00000000  0.00000000  0.00000000
     0.20460000  0.00000000  0.00000000  1.00000000  0.00000000
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$ H-TYPE FUNCTIONS
    3    3    0
     0.65600000  1.00000000  0.00000000  0.00000000
     0.33000000  0.00000000  1.00000000  0.00000000
     0.16550000  0.00000000  0.00000000  1.00000000
$ I-TYPE FUNCTIONS
    2    2    0
     0.53020000  1.00000000  0.00000000
     0.29900000  0.00000000  1.00000000
a 14
$ SILICON      (21s,14p,6d,4f,3g,2h,1i) -> [8s,7p,6d,4f,3g,2h,1i]               
$ SILICON      (1s,1p,1d,1f,1g,1h,1i)                                           
$ S-TYPE FUNCTIONS
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    12.47000000  0.12223200 -0.07046840  0.02009730  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     5.79500000  0.01419520  0.21314900 -0.06674840  0.00000000  0.00000000  0.00000000
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     2.83000000  0.00031210  0.49159600 -0.18190600  0.00000000  0.00000000  0.00000000
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     0.13850000 -0.00002790  0.00034350  0.57876300  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000  0.00000000
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     0.00000000  1.00000000  0.00000000
     0.02539000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   15    8    0
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     0.00000000  0.00000000
   846.00000000  0.00052960 -0.00011260  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   274.80000000  0.00299580 -0.00064020  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   105.00000000  0.01263350 -0.00270290  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    44.35000000  0.04190440 -0.00907890  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    20.08000000  0.11025900 -0.02423480  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     9.53000000  0.21883100 -0.04934600  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     4.63400000  0.31782800 -0.07258590  0.00000000  0.00000000  0.00000000  0.00000000
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     2.28000000  0.31942500 -0.08042580  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     1.11600000  0.17063400 -0.02760760  1.00000000  0.00000000  0.00000000  0.00000000
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     0.49910000  0.02683420  0.17014800  0.00000000  1.00000000  0.00000000  0.00000000
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     0.22540000 -0.00030200  0.41115800  0.00000000  0.00000000  1.00000000  0.00000000
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     0.10010000  0.00079320  0.42507000  0.00000000  0.00000000  0.00000000  1.00000000
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     0.04332000 -0.00011870  0.14478900  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000
     0.01694000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    7    7    0
     6.82500000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     1.76300000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
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     0.03700000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
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$ F-TYPE FUNCTIONS
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     1.35100000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
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$ G-TYPE FUNCTIONS
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     0.85280000  1.00000000  0.00000000  0.00000000  0.00000000
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$ H-TYPE FUNCTIONS
    3    3    0
     0.85570000  1.00000000  0.00000000  0.00000000
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$ I-TYPE FUNCTIONS
    2    2    0
     0.69460000  1.00000000  0.00000000
     0.42710000  0.00000000  1.00000000
a 15
$ PHOSPHORUS   (21s,14p,6d,4f,3g,2h,1i) -> [8s,7p,6d,4f,3g,2h,1i]               
$ PHOSPHORUS   (1s,1p,1d,1f,1g,1h,1i)                                           
$ S-TYPE FUNCTIONS
   22    9    0
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     0.00000000  0.00000000  0.00000000
  6523.00000000  0.00296840 -0.00080800  0.00022210  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  2687.00000000  0.00812400 -0.00222730  0.00061220  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  1178.00000000  0.02092000 -0.00578330  0.00159180  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   536.20000000  0.05055900 -0.01434380  0.00395340  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   251.50000000  0.11047900 -0.03270610  0.00905720  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   121.30000000  0.20695700 -0.06737160  0.01879090  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    59.88000000  0.30473700 -0.11764700  0.03338310  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    30.05000000  0.29295200 -0.15728000  0.04594840  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    15.12000000  0.13556100 -0.08385440  0.02552400  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     7.01000000  0.01732080  0.19971800 -0.06694960  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     3.44100000 -0.00003520  0.49860500 -0.20364500  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     1.71200000  0.00080330  0.38981500 -0.28722800  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     0.83370000 -0.00024380  0.07434100 -0.03382110  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     0.39120000  0.00009870  0.00073800  0.45448200  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000  0.00000000
     0.17770000 -0.00005120  0.00092760  0.56879100  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000  0.00000000
     0.07939000  0.00001010 -0.00000170  0.17859000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000  0.00000000
     0.03228000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   15    8    0
  4552.00000000  0.00005200 -0.00001240  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
  1078.00000000  0.00046040 -0.00010940  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   350.10000000  0.00262080 -0.00062560  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   133.80000000  0.01118730 -0.00267340  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    56.52000000  0.03782290 -0.00915520  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    25.58000000  0.10211600 -0.02509930  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    12.14000000  0.21031400 -0.05318100  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     5.90200000  0.31738300 -0.08158880  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     2.91000000  0.32716500 -0.09197250  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     1.43500000  0.17768700 -0.02926680  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     0.65700000  0.02935800  0.18799600  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     0.30050000 -0.00007680  0.42719100  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000
     0.13400000  0.00067200  0.41014600  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000
     0.05783000 -0.00011680  0.12646500  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000
     0.02197000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    7    7    0
     9.47300000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     2.48200000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     1.08800000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     0.69200000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000
     0.31900000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000
     0.13400000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000
     0.05070000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ F-TYPE FUNCTIONS
    5    5    0
     1.81600000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.88060000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.42700000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.20700000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.08710000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ G-TYPE FUNCTIONS
    4    4    0
     1.06160000  1.00000000  0.00000000  0.00000000  0.00000000
     0.57910000  0.00000000  1.00000000  0.00000000  0.00000000
     0.31590000  0.00000000  0.00000000  1.00000000  0.00000000
     0.14700000  0.00000000  0.00000000  0.00000000  1.00000000
$ H-TYPE FUNCTIONS
    3    3    0
     1.08500000  1.00000000  0.00000000  0.00000000
     0.52770000  0.00000000  1.00000000  0.00000000
     0.28740000  0.00000000  0.00000000  1.00000000
$ I-TYPE FUNCTIONS
    2    2    0
     0.88900000  1.00000000  0.00000000
     0.51510000  0.00000000  1.00000000
a 16
$ SULFUR       (21s,14p,6d,4f,3g,2h,1i) -> [8s,7p,6d,4f,3g,2h,1i]               
$ SULFUR       (1s,1p,1d,1f,1g,1h,1i)                                           
$ S-TYPE FUNCTIONS
   22    9    0
    6297000.000  0.00000160 -0.00000040  0.00000010  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   943100.00000  0.00001240 -0.00000340  0.00000100  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   214900.00000  0.00006490 -0.00001790  0.00000520  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    61250.00000  0.00026930 -0.00007440  0.00002160  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    20450.00000  0.00093470 -0.00025870  0.00007510  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  7719.00000000  0.00280830 -0.00077770  0.00022580  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  3198.00000000  0.00767400 -0.00213960  0.00062170  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  1402.00000000  0.01988980 -0.00559060  0.00162510  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   637.20000000  0.04825890 -0.01390760  0.00405350  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   298.90000000  0.10575700 -0.03176890  0.00929020  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   144.30000000  0.20022300 -0.06593020  0.01945610  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    71.21000000  0.30072800 -0.11683200  0.03500400  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    35.73000000  0.29868800 -0.15978700  0.04948970  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    17.97000000  0.14634700 -0.09453220  0.03034430  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     8.34100000  0.02011590  0.18782800 -0.06636610  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     4.11200000 -0.00024880  0.50468300 -0.22315400  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     2.04500000  0.00090090  0.39954500 -0.30960900  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     0.97700000 -0.00031780  0.07341170 -0.01121920  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     0.47660000  0.00013090 -0.00010620  0.48103300  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000  0.00000000
     0.21850000 -0.00006670  0.00140680  0.55547800  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000  0.00000000
     0.09759000  0.00001250 -0.00002880  0.16354200  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000  0.00000000
     0.03893000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   15    8    0
  5266.00000000  0.00005230 -0.00001330  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
  1247.00000000  0.00046350 -0.00011790  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   405.00000000  0.00264100 -0.00067590  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   154.80000000  0.01131690 -0.00289730  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    65.38000000  0.03847040 -0.00999800  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    29.59000000  0.10433900 -0.02754160  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    14.04000000  0.21568400 -0.05879430  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     6.82400000  0.32526000 -0.09037610  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     3.36900000  0.32617800 -0.09998910  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     1.66600000  0.16314600 -0.01097980  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     0.76810000  0.02389820  0.23273200  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     0.35040000  0.00047380  0.43124900  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000
     0.15560000  0.00073520  0.37518600  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000
     0.06681000  0.00002240  0.11372900  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000
     0.02648000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    7    7    0
    11.53300000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     2.98800000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     1.25900000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     0.80400000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000
     0.38000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000
     0.16000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000
     0.06090000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ F-TYPE FUNCTIONS
    5    5    0
     1.32220000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.73190000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.40510000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.22430000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.11000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ G-TYPE FUNCTIONS
    4    4    0
     1.34730000  1.00000000  0.00000000  0.00000000  0.00000000
     0.70090000  0.00000000  1.00000000  0.00000000  0.00000000
     0.36470000  0.00000000  0.00000000  1.00000000  0.00000000
     0.17990000  0.00000000  0.00000000  0.00000000  1.00000000
$ H-TYPE FUNCTIONS
    3    3    0
     1.28610000  1.00000000  0.00000000  0.00000000
     0.61150000  0.00000000  1.00000000  0.00000000
     0.34650000  0.00000000  0.00000000  1.00000000
$ I-TYPE FUNCTIONS
    2    2    0
     1.04090000  1.00000000  0.00000000
     0.62220000  0.00000000  1.00000000
a 17
$ CHLORINE     (21s,14p,6d,4f,3g,2h,1i) -> [8s,7p,6d,4f,3g,2h,1i]               
$ CHLORINE     (1s,1p,1d,1f,1g,1h,1i)                                           
$ S-TYPE FUNCTIONS
   22    9    0
    7733000.000  0.00000143 -0.00000040  0.00000012  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    1158000.000  0.00001115 -0.00000312  0.00000095  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   263700.00000  0.00005859 -0.00001643  0.00000497  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    75010.00000  0.00024452 -0.00006854  0.00002073  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    24890.00000  0.00085829 -0.00024100  0.00007294  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  9318.00000000  0.00261019 -0.00073354  0.00022190  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  3840.00000000  0.00713784 -0.00201830  0.00061135  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  1684.00000000  0.01845640 -0.00526107  0.00159337  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   766.30000000  0.04489440 -0.01309860  0.00398001  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   359.50000000  0.09938220 -0.03017940  0.00919375  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   173.40000000  0.19078200 -0.06318880  0.01943990  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    85.61000000  0.29356500 -0.11385900  0.03551870  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    42.93000000  0.30647700 -0.16125100  0.05206740  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    21.55000000  0.16220900 -0.10923400  0.03656440  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    10.05000000  0.02493830  0.16299900 -0.05975000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     4.97800000 -0.00051314  0.50141300 -0.23164100  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     2.47800000  0.00110241  0.42060700 -0.32984600  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     1.18000000 -0.00043165  0.08192930 -0.01243200  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     0.58280000  0.00017868 -0.00003297  0.49182900  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000  0.00000000
     0.26680000 -0.00008895  0.00179023  0.55697300  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000  0.00000000
     0.11830000  0.00001662 -0.00003829  0.15849700  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000  0.00000000
     0.04625000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   15    8    0
  6091.00000000  0.00005162 -0.00001393  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
  1442.00000000  0.00045847 -0.00012332  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   468.30000000  0.00261509 -0.00070755  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   179.00000000  0.01125540 -0.00304939  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    75.61000000  0.03845770 -0.01057520  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    34.22000000  0.10508100 -0.02940940  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    16.23000000  0.21860300 -0.06322960  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     7.89000000  0.33087400 -0.09818700  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     3.89800000  0.32587900 -0.10587000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     1.93300000  0.15315900  0.00322887  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     0.90570000  0.02109100  0.25830600  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     0.41400000  0.00106795  0.43332600  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000
     0.18360000  0.00082313  0.35450800  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000
     0.07859000  0.00012624  0.10318900  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000
     0.03163000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    7    7    0
    14.77200000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     3.82000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     1.58300000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     1.03600000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000
     0.48800000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000
     0.20300000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000
     0.07750000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ F-TYPE FUNCTIONS
    5    5    0
     2.53270000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.24060000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.60770000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.29770000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.14650000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ G-TYPE FUNCTIONS
    4    4    0
     1.53880000  1.00000000  0.00000000  0.00000000  0.00000000
     0.80500000  0.00000000  1.00000000  0.00000000  0.00000000
     0.42120000  0.00000000  0.00000000  1.00000000  0.00000000
     0.21770000  0.00000000  0.00000000  0.00000000  1.00000000
$ H-TYPE FUNCTIONS
    3    3    0
     1.56130000  1.00000000  0.00000000  0.00000000
     0.73970000  0.00000000  1.00000000  0.00000000
     0.43650000  0.00000000  0.00000000  1.00000000
$ I-TYPE FUNCTIONS
    2    2    0
     1.25720000  1.00000000  0.00000000
     0.80740000  0.00000000  1.00000000
a 18
$ ARGON        (21s,14p,6d,4f,3g,2h,1i) -> [8s,7p,6d,4f,3g,2h,1i]               
$ ARGON        (1s,1p,1d,1f,1g,1h,1i)                                           
$ S-TYPE FUNCTIONS
   22    9    0
    9149000.000  0.00000130 -0.00000040  0.00000010  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    1370000.000  0.00001040 -0.00000300  0.00000090  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   311900.00000  0.00005490 -0.00001560  0.00000490  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    88650.00000  0.00022960 -0.00006520  0.00002040  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    29330.00000  0.00081030 -0.00023040  0.00007200  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    10930.00000  0.00248530 -0.00070750  0.00022100  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  4480.00000000  0.00683690 -0.00195730  0.00061250  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
  1962.00000000  0.01761990 -0.00508560  0.00159080  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   894.10000000  0.04287520 -0.01265280  0.00397220  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   419.60000000  0.09548530 -0.02930650  0.00922040  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
   202.30000000  0.18506400 -0.06177120  0.01963670  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    99.84000000  0.28904200 -0.11254100  0.03625700  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    50.07000000  0.31016600 -0.16229300  0.05417250  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    25.14000000  0.17218300 -0.11841200  0.04099960  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
    11.81000000  0.02852270  0.14614800 -0.05517440  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     5.88200000 -0.00057570  0.49775200 -0.23875400  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     2.93900000  0.00118120  0.43424000 -0.34526400  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     1.40500000 -0.00048050  0.08907450 -0.01223840  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000  0.00000000
     0.69630000  0.00018880  0.00053810  0.49973700  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000  0.00000000
     0.31880000 -0.00009730  0.00204040  0.55688900  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000  0.00000000
     0.14100000  0.00001740 -0.00002800  0.15554200  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000  0.00000000
     0.05357000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000  1.00000000
$ P-TYPE FUNCTIONS
   15    8    0
  7050.00000000  0.00005020 -0.00001400  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
  1669.00000000  0.00044540 -0.00012430  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   542.10000000  0.00254800 -0.00071470  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
   207.10000000  0.01101550 -0.00309680  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    87.52000000  0.03784900 -0.01079610  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    39.61000000  0.10435500 -0.03035360  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
    18.78000000  0.21933500 -0.06597850  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     9.13000000  0.33461500 -0.10387700  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     4.51600000  0.32677100 -0.10995600  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     2.24500000  0.14815300  0.01332480  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     1.06500000  0.01925860  0.27428600  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000  0.00000000
     0.48850000  0.00055190  0.43493600  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000  0.00000000
     0.21660000  0.00017690  0.34097700  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000  0.00000000
     0.09255000 -0.00001690  0.09506840  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000  0.00000000
     0.03678000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    7    7    0
    17.74300000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     4.58000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     1.88900000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.00000000
     1.25200000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.00000000
     0.59400000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.00000000
     0.24700000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
     0.00000000
     0.08980000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ F-TYPE FUNCTIONS
    5    5    0
     3.05820000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.52920000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.76470000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.38240000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.18300000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ G-TYPE FUNCTIONS
    4    4    0
     1.84500000  1.00000000  0.00000000  0.00000000  0.00000000
     0.96570000  0.00000000  1.00000000  0.00000000  0.00000000
     0.50550000  0.00000000  0.00000000  1.00000000  0.00000000
     0.25550000  0.00000000  0.00000000  0.00000000  1.00000000
$ H-TYPE FUNCTIONS
    3    3    0
     1.87430000  1.00000000  0.00000000  0.00000000
     0.88710000  0.00000000  1.00000000  0.00000000
     0.52650000  0.00000000  0.00000000  1.00000000
$ I-TYPE FUNCTIONS
    2    2    0
     1.50660000  1.00000000  0.00000000
     0.99260000  0.00000000  1.00000000