ergo 3.5-1 / usr / share / ergo / basis / aug-cc-pV(Q+d)Z

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/usr/share/ergo/basis/aug-cc-pV(Q+d)Z is in ergo 3.5-1.

This file is owned by root:root, with mode 0o644.

The actual contents of the file can be viewed below. 

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$ Basis =aug-cc-pV(Q+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
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a 14
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a 15
$ PHOSPHORUS   (16s,11p,4d,2f,1g) -> [6s,5p,4d,2f,1g]                           
$ PHOSPHORUS   Diffuse (1s,1p,1d,1f,1g)                                         
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a 16
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a 17
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   360.00000000  0.12324800 -0.03753420  0.01147510  0.00000000  0.00000000  0.00000000
     0.00000000
   147.00000000  0.26436900 -0.08972330  0.02755040  0.00000000  0.00000000  0.00000000
     0.00000000
    62.88000000  0.38298900 -0.16767100  0.05329170  0.00000000  0.00000000  0.00000000
     0.00000000
    27.60000000  0.27093400 -0.17476300  0.05712460  0.00000000  0.00000000  0.00000000
     0.00000000
    11.08000000  0.04714040  0.11490900 -0.03952010  0.00000000  0.00000000  0.00000000
     0.00000000
     5.07500000 -0.00371766  0.56361800 -0.26434300  0.00000000  0.00000000  0.00000000
     0.00000000
     2.27800000  0.00219158  0.44160600 -0.34929100  0.00000000  0.00000000  0.00000000
     0.00000000
     0.77750000 -0.00084985  0.04266970  0.26967100  1.00000000  0.00000000  0.00000000
     0.00000000
     0.35270000  0.00042466 -0.00667229  0.67607300  0.00000000  1.00000000  0.00000000
     0.00000000
     0.14310000 -0.00012002  0.00190729  0.28467900  0.00000000  0.00000000  1.00000000
     0.00000000
     0.05190000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ P-TYPE FUNCTIONS
   12    6    0
  1703.00000000  0.00047404 -0.00012827  0.00000000  0.00000000  0.00000000  0.00000000
   403.60000000  0.00406412 -0.00109356  0.00000000  0.00000000  0.00000000  0.00000000
   130.30000000  0.02133550 -0.00583429  0.00000000  0.00000000  0.00000000  0.00000000
    49.05000000  0.07946110 -0.02192580  0.00000000  0.00000000  0.00000000  0.00000000
    20.26000000  0.20892700 -0.06013850  0.00000000  0.00000000  0.00000000  0.00000000
     8.78700000  0.36494500 -0.10692900  0.00000000  0.00000000  0.00000000  0.00000000
     3.91900000  0.37172500 -0.12245400  0.00000000  0.00000000  0.00000000  0.00000000
     1.76500000  0.14629200  0.03836190  0.00000000  0.00000000  0.00000000  0.00000000
     0.72070000  0.01079060  0.38525600  1.00000000  0.00000000  0.00000000  0.00000000
     0.28390000  0.00117004  0.50726500  0.00000000  1.00000000  0.00000000  0.00000000
     0.10600000  0.00033941  0.22721800  0.00000000  0.00000000  1.00000000  0.00000000
     0.03760000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    5    5    0
     5.19100000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.27600000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.58300000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.24300000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.09120000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    3    3    0
     0.42300000  1.00000000  0.00000000  0.00000000
     1.08900000  0.00000000  1.00000000  0.00000000
     0.21700000  0.00000000  0.00000000  1.00000000
$ G-TYPE FUNCTIONS
    2    2    0
     0.82700000  1.00000000  0.00000000
     0.37800000  0.00000000  1.00000000
a 18
$ ARGON        (16s,11p,4d,2f,1g) -> [6s,5p,4d,2f,1g]                           
$ ARGON        Diffuse (1s,1p,1d,1f,1g)                                         
$ S-TYPE FUNCTIONS
   17    7    0
   950600.00000  0.00002275 -0.00000646  0.00000202  0.00000000  0.00000000  0.00000000
     0.00000000
   142300.00000  0.00017694 -0.00005023  0.00001569  0.00000000  0.00000000  0.00000000
     0.00000000
    32360.00000  0.00093128 -0.00026480  0.00008286  0.00000000  0.00000000  0.00000000
     0.00000000
  9145.00000000  0.00392860 -0.00111895  0.00034926  0.00000000  0.00000000  0.00000000
     0.00000000
  2970.00000000  0.01420640 -0.00408276  0.00127976  0.00000000  0.00000000  0.00000000
     0.00000000
  1064.00000000  0.04481140 -0.01312160  0.00410365  0.00000000  0.00000000  0.00000000
     0.00000000
   410.80000000  0.12100100 -0.03728550  0.01177890  0.00000000  0.00000000  0.00000000
     0.00000000
   168.00000000  0.26057900 -0.08947090  0.02838680  0.00000000  0.00000000  0.00000000
     0.00000000
    71.99000000  0.38136400 -0.16805400  0.05524060  0.00000000  0.00000000  0.00000000
     0.00000000
    31.67000000  0.27605800 -0.17959400  0.06074920  0.00000000  0.00000000  0.00000000
     0.00000000
    12.89000000  0.05051790  0.10295300 -0.03620120  0.00000000  0.00000000  0.00000000
     0.00000000
     5.92900000 -0.00359866  0.56263000 -0.27539800  0.00000000  0.00000000  0.00000000
     0.00000000
     2.67800000  0.00218798  0.45035500 -0.36284500  0.00000000  0.00000000  0.00000000
     0.00000000
     0.94160000 -0.00086236  0.04606070  0.27311800  1.00000000  0.00000000  0.00000000
     0.00000000
     0.42390000  0.00040523 -0.00603691  0.68289900  0.00000000  1.00000000  0.00000000
     0.00000000
     0.17140000 -0.00011616  0.00188744  0.28341700  0.00000000  0.00000000  1.00000000
     0.00000000
     0.06100000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.00000000
$ P-TYPE FUNCTIONS
   12    6    0
  1890.00000000  0.00049575 -0.00013886  0.00000000  0.00000000  0.00000000  0.00000000
   447.80000000  0.00425172 -0.00118870  0.00000000  0.00000000  0.00000000  0.00000000
   144.60000000  0.02232770 -0.00632553  0.00000000  0.00000000  0.00000000  0.00000000
    54.46000000  0.08308780 -0.02388130  0.00000000  0.00000000  0.00000000  0.00000000
    22.51000000  0.21711000 -0.06492380  0.00000000  0.00000000  0.00000000  0.00000000
     9.77400000  0.37450700 -0.11544400  0.00000000  0.00000000  0.00000000  0.00000000
     4.36800000  0.36644500 -0.12365100  0.00000000  0.00000000  0.00000000  0.00000000
     1.95900000  0.12924500  0.06490550  0.00000000  0.00000000  0.00000000  0.00000000
     0.82600000  0.00692249  0.40363300  1.00000000  0.00000000  0.00000000  0.00000000
     0.32970000  0.00083615  0.49059200  0.00000000  1.00000000  0.00000000  0.00000000
     0.12420000 -0.00015267  0.20852800  0.00000000  0.00000000  1.00000000  0.00000000
     0.04350000  0.00000000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ D-TYPE FUNCTIONS
    5    5    0
     6.31500000  1.00000000  0.00000000  0.00000000  0.00000000  0.00000000
     1.56200000  0.00000000  1.00000000  0.00000000  0.00000000  0.00000000
     0.71500000  0.00000000  0.00000000  1.00000000  0.00000000  0.00000000
     0.29700000  0.00000000  0.00000000  0.00000000  1.00000000  0.00000000
     0.10800000  0.00000000  0.00000000  0.00000000  0.00000000  1.00000000
$ F-TYPE FUNCTIONS
    3    3    0
     0.54300000  1.00000000  0.00000000  0.00000000
     1.32500000  0.00000000  1.00000000  0.00000000
     0.29400000  0.00000000  0.00000000  1.00000000
$ G-TYPE FUNCTIONS
    2    2    0
     1.00700000  1.00000000  0.00000000
     0.45900000  0.00000000  1.00000000

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