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Tellurium

TE:PVTZ-X2C

 cc-pVTZ recontracted for SFX2C-1e

  4
    0    1    2    3
    7    6    4    1
   28   21   14    1

 5.537122D+08 8.517426D+07 1.792506D+07 4.812394D+06 1.554321D+06 
 5.754794D+05 2.349347D+05 1.025865D+05 4.682985D+04 2.198700D+04 
 1.050476D+04 5.076730D+03 2.476196D+03 1.219627D+03 6.080662D+02 
 3.078851D+02 1.588377D+02 8.368128D+01 4.503552D+01 2.469589D+01 
 1.371087D+01 7.621328D+00 4.170545D+00 2.077645D+00 1.042945D+00 
 3.663105D-01 1.785887D-01 8.249023D-02 

   0.00004728   0.00001649  -0.00000736   0.00000328   0.00000109 0.0 0.0  
   0.00011095   0.00003869  -0.00001726   0.00000770   0.00000256 0.0 0.0
   0.00027457   0.00009577  -0.00004273   0.00001906   0.00000634 0.0 0.0
   0.00055719   0.00019449  -0.00008677   0.00003870   0.00001288 0.0 0.0
   0.00107107   0.00037434  -0.00016705   0.00007452   0.00002481 0.0 0.0
   0.00194305   0.00068063  -0.00030379   0.00013552   0.00004511 0.0 0.0
   0.00350904   0.00123328  -0.00055089   0.00024580   0.00008185 0.0 0.0
   0.00635010   0.00224336  -0.00100231   0.00044720   0.00014884 0.0 0.0
   0.01176751   0.00418833  -0.00187494   0.00083695   0.00027881 0.0 0.0
   0.02227676   0.00802336  -0.00359370   0.00160422   0.00053376 0.0 0.0
   0.04294530   0.01576494  -0.00709219   0.00316913   0.00105643 0.0 0.0
   0.08244194   0.03129989  -0.01412542   0.00631551   0.00210095 0.0 0.0
   0.15146851   0.06112225  -0.02790452   0.01250752   0.00417414 0.0 0.0
   0.24613322   0.11129706  -0.05157896   0.02318995   0.00771696 0.0 0.0
   0.30653214   0.16921259  -0.08138106   0.03688172   0.01235343 0.0 0.0
   0.22834246   0.15961732  -0.08002186   0.03658687   0.01214907 0.0 0.0
   0.06938913  -0.04855829   0.03172934  -0.01515833  -0.00489612 0.0 0.0
   0.00478774  -0.41877794   0.31818737  -0.15945594  -0.05482271 0.0 0.0
   0.00028275  -0.48672775   0.49722360  -0.26465953  -0.08997653 0.0 0.0
  -0.00002880  -0.18810951   0.15602143  -0.09151314  -0.03530894 0.0 0.0
  -0.00008993  -0.02158714  -0.55967105   0.43033251   0.16633326 0.0 0.0
   0.00002972  -0.00057990  -0.64437137   0.79164891   0.31289398 0.0 0.0
  -0.00002248  -0.00020062  -0.16066423  -0.03185085  -0.02550059 0.0 0.0
   0.00001587   0.00030106  -0.01131405  -0.86139027  -0.49744096 0.0 0.0
  -0.00000495  -0.00004755  -0.00002405  -0.47460056  -0.43615695 0.0 0.0
   0.00000208   0.00002717  -0.00036132  -0.02617877   0.43519109 1.0 0.0
  -0.00000128  -0.00001804   0.00024524   0.00514776   0.64410595 0.0 0.0
   0.00000033   0.00000425  -0.00005450  -0.00126288   0.23315684 0.0 1.0

 3.678985D+06 5.669462D+05 1.207788D+05 3.296965D+04 1.084768D+04 
 4.099356D+03 1.714719D+03 7.724043D+02 3.673924D+02 1.820300D+02 
 9.308078D+01 4.879691D+01 2.607560D+01 1.410957D+01 7.660241D+00 
 4.116851D+00 2.095689D+00 1.043346D+00 4.470946D-01 2.005060D-01 
 7.870060D-02 

   0.00001150   0.00000537   0.00000231   0.00000064 0.0 0.0  
   0.00004399   0.00002057   0.00000886   0.00000246 0.0 0.0
   0.00016398   0.00007678   0.00003307   0.00000919 0.0 0.0
   0.00056252   0.00026384   0.00011366   0.00003154 0.0 0.0
   0.00188376   0.00088694   0.00038251   0.00010631 0.0 0.0
   0.00612205   0.00289573   0.00124933   0.00034664 0.0 0.0
   0.01891809   0.00905008   0.00391575   0.00108935 0.0 0.0
   0.05371477   0.02616563   0.01135356   0.00315187 0.0 0.0
   0.13198122   0.06663487   0.02914683   0.00812659 0.0 0.0
   0.25686737   0.13593433   0.05998396   0.01668431 0.0 0.0
   0.35024453   0.19568586   0.08766034   0.02459332 0.0 0.0
   0.26954194   0.10682535   0.04147721   0.01104205 0.0 0.0
   0.09110487  -0.19299239  -0.12015494  -0.03471671 0.0 0.0
   0.01018106  -0.48402458  -0.32107769  -0.09718185 0.0 0.0
   0.00036013  -0.37383525  -0.25005669  -0.07083484 0.0 0.0
  -0.00000906  -0.08908243   0.26846461   0.10157883 0.0 0.0
  -0.00011793  -0.00727329   0.59476929   0.24010508 0.0 0.0
   0.00000245   0.00000864   0.33447408   0.14032932 0.0 0.0
  -0.00001131  -0.00023826   0.03853322  -0.25189808 1.0 0.0
   0.00000462   0.00011512  -0.00106465  -0.55395603 0.0 0.0
  -0.00000096  -0.00002455   0.00069466  -0.37619877 0.0 1.0

 4.703174D+03 1.330578D+03 4.876845D+02 2.096221D+02 9.890991D+01 
 4.920705D+01 2.523914D+01 1.318473D+01 6.946102D+00 3.599002D+00 
 1.805779D+00 8.809256D-01 4.064276D-01 1.644229D-01 

   0.00012238   0.00004879 0.0 0.0 
   0.00101728   0.00040680 0.0 0.0
   0.00610963   0.00245047 0.0 0.0
   0.02585999   0.01045150 0.0 0.0
   0.08201168   0.03352438 0.0 0.0
   0.19442033   0.08066084 0.0 0.0
   0.32179589   0.13038157 0.0 0.0
   0.35097646   0.12741454 0.0 0.0
   0.20242450  -0.03615863 0.0 0.0
   0.04763308  -0.30778700 0.0 0.0
   0.00286666  -0.43532009 0.0 0.0
   0.00015200  -0.29984595 0.0 0.0
  -0.00005734  -0.08701811 1.0 0.0
   0.00000209  -0.00653286 0.0 1.0

 3.487896D-01 

 1.0000000D+00 

TE:APVTZ-X2C

 aug-cc-pVTZ recontracted for SFX2C-1e

  4
    0    1    2    3
    8    7    5    2
   29   22   15    2

  5.537122D+08 8.517426D+07 1.792506D+07 4.812394D+06 1.554321D+06 
  5.754794D+05 2.349347D+05 1.025865D+05 4.682985D+04 2.198700D+04 
  1.050476D+04 5.076730D+03 2.476196D+03 1.219627D+03 6.080662D+02 
  3.078851D+02 1.588377D+02 8.368128D+01 4.503552D+01 2.469589D+01 
  1.371087D+01 7.621328D+00 4.170545D+00 2.077645D+00 1.042945D+00 
  3.663105D-01 1.785887D-01 8.249023D-02 3.810130D-02 

   0.00004728   0.00001649  -0.00000736   0.00000328   0.00000109 0.0 0.0 0.0  
   0.00011095   0.00003869  -0.00001726   0.00000770   0.00000256 0.0 0.0 0.0
   0.00027457   0.00009577  -0.00004273   0.00001906   0.00000634 0.0 0.0 0.0
   0.00055719   0.00019449  -0.00008677   0.00003870   0.00001288 0.0 0.0 0.0
   0.00107107   0.00037434  -0.00016705   0.00007452   0.00002481 0.0 0.0 0.0
   0.00194305   0.00068063  -0.00030379   0.00013552   0.00004511 0.0 0.0 0.0
   0.00350904   0.00123328  -0.00055089   0.00024580   0.00008185 0.0 0.0 0.0
   0.00635010   0.00224336  -0.00100231   0.00044720   0.00014884 0.0 0.0 0.0
   0.01176751   0.00418833  -0.00187494   0.00083695   0.00027881 0.0 0.0 0.0
   0.02227676   0.00802336  -0.00359370   0.00160422   0.00053376 0.0 0.0 0.0
   0.04294530   0.01576494  -0.00709219   0.00316913   0.00105643 0.0 0.0 0.0
   0.08244194   0.03129989  -0.01412542   0.00631551   0.00210095 0.0 0.0 0.0
   0.15146851   0.06112225  -0.02790452   0.01250752   0.00417414 0.0 0.0 0.0
   0.24613322   0.11129706  -0.05157896   0.02318995   0.00771696 0.0 0.0 0.0
   0.30653214   0.16921259  -0.08138106   0.03688172   0.01235343 0.0 0.0 0.0
   0.22834246   0.15961732  -0.08002186   0.03658687   0.01214907 0.0 0.0 0.0
   0.06938913  -0.04855829   0.03172934  -0.01515833  -0.00489612 0.0 0.0 0.0
   0.00478774  -0.41877794   0.31818737  -0.15945594  -0.05482271 0.0 0.0 0.0
   0.00028275  -0.48672775   0.49722360  -0.26465953  -0.08997653 0.0 0.0 0.0
  -0.00002880  -0.18810951   0.15602143  -0.09151314  -0.03530894 0.0 0.0 0.0
  -0.00008993  -0.02158714  -0.55967105   0.43033251   0.16633326 0.0 0.0 0.0
   0.00002972  -0.00057990  -0.64437137   0.79164891   0.31289398 0.0 0.0 0.0
  -0.00002248  -0.00020062  -0.16066423  -0.03185085  -0.02550059 0.0 0.0 0.0
   0.00001587   0.00030106  -0.01131405  -0.86139027  -0.49744096 0.0 0.0 0.0
  -0.00000495  -0.00004755  -0.00002405  -0.47460056  -0.43615695 0.0 0.0 0.0
   0.00000208   0.00002717  -0.00036132  -0.02617877   0.43519109 1.0 0.0 0.0
  -0.00000128  -0.00001804   0.00024524   0.00514776   0.64410595 0.0 0.0 0.0
   0.00000033   0.00000425  -0.00005450  -0.00126288   0.23315684 0.0 1.0 0.0
   0.0          0.0          0.0          0.0          0.0        0.0 0.0 1.0 

  3.678985D+06 5.669462D+05 1.207788D+05 3.296965D+04 1.084768D+04 
  4.099356D+03 1.714719D+03 7.724043D+02 3.673924D+02 1.820300D+02 
  9.308078D+01 4.879691D+01 2.607560D+01 1.410957D+01 7.660241D+00 
  4.116851D+00 2.095689D+00 1.043346D+00 4.470946D-01 2.005060D-01 
  7.870060D-02 2.756654D-02 

   0.00001150   0.00000537   0.00000231   0.00000064 0.0 0.0 0.0  
   0.00004399   0.00002057   0.00000886   0.00000246 0.0 0.0 0.0
   0.00016398   0.00007678   0.00003307   0.00000919 0.0 0.0 0.0
   0.00056252   0.00026384   0.00011366   0.00003154 0.0 0.0 0.0
   0.00188376   0.00088694   0.00038251   0.00010631 0.0 0.0 0.0
   0.00612205   0.00289573   0.00124933   0.00034664 0.0 0.0 0.0
   0.01891809   0.00905008   0.00391575   0.00108935 0.0 0.0 0.0
   0.05371477   0.02616563   0.01135356   0.00315187 0.0 0.0 0.0
   0.13198122   0.06663487   0.02914683   0.00812659 0.0 0.0 0.0
   0.25686737   0.13593433   0.05998396   0.01668431 0.0 0.0 0.0
   0.35024453   0.19568586   0.08766034   0.02459332 0.0 0.0 0.0
   0.26954194   0.10682535   0.04147721   0.01104205 0.0 0.0 0.0
   0.09110487  -0.19299239  -0.12015494  -0.03471671 0.0 0.0 0.0
   0.01018106  -0.48402458  -0.32107769  -0.09718185 0.0 0.0 0.0
   0.00036013  -0.37383525  -0.25005669  -0.07083484 0.0 0.0 0.0
  -0.00000906  -0.08908243   0.26846461   0.10157883 0.0 0.0 0.0
  -0.00011793  -0.00727329   0.59476929   0.24010508 0.0 0.0 0.0
   0.00000245   0.00000864   0.33447408   0.14032932 0.0 0.0 0.0
  -0.00001131  -0.00023826   0.03853322  -0.25189808 1.0 0.0 0.0
   0.00000462   0.00011512  -0.00106465  -0.55395603 0.0 0.0 0.0
  -0.00000096  -0.00002455   0.00069466  -0.37619877 0.0 1.0 0.0
   0.0          0.0          0.0          0.0        0.0 0.0 1.0

  4.703174D+03 1.330578D+03 4.876845D+02 2.096221D+02 9.890991D+01 
  4.920705D+01 2.523914D+01 1.318473D+01 6.946102D+00 3.599002D+00 
  1.805779D+00 8.809256D-01 4.064276D-01 1.644229D-01 6.427092D-02 

   0.00012238   0.00004879 0.0 0.0 0.0 
   0.00101728   0.00040680 0.0 0.0 0.0
   0.00610963   0.00245047 0.0 0.0 0.0
   0.02585999   0.01045150 0.0 0.0 0.0
   0.08201168   0.03352438 0.0 0.0 0.0
   0.19442033   0.08066084 0.0 0.0 0.0
   0.32179589   0.13038157 0.0 0.0 0.0
   0.35097646   0.12741454 0.0 0.0 0.0
   0.20242450  -0.03615863 0.0 0.0 0.0
   0.04763308  -0.30778700 0.0 0.0 0.0
   0.00286666  -0.43532009 0.0 0.0 0.0
   0.00015200  -0.29984595 0.0 0.0 0.0
  -0.00005734  -0.08701811 1.0 0.0 0.0
   0.00000209  -0.00653286 0.0 1.0 0.0
   0.0          0.0        0.0 0.0 1.0 

 3.487896D-01 1.411324D-01 

 1.0000000D+00 0.0000000D+00 
 0.0000000D+00 1.0000000D+00 

TE:APWCVTZ-X2C

 aug-cc-pwCVTZ recontracted for SFX2C-1e

  5
    0    1    2    3    4
   10    9    7    4    1
   29   22   15    4    1

 5.537122D+08 8.517426D+07 1.792506D+07 4.812394D+06 1.554321D+06 
 5.754794D+05 2.349347D+05 1.025865D+05 4.682985D+04 2.198700D+04 
 1.050476D+04 5.076730D+03 2.476196D+03 1.219627D+03 6.080662D+02 
 3.078851D+02 1.588377D+02 8.368128D+01 4.503552D+01 2.469589D+01 
 1.371087D+01 7.621328D+00 4.170545D+00 2.077645D+00 1.042945D+00 
 3.663105D-01 1.785887D-01 8.249023D-02 3.810130D-02 

   0.00004728   0.00001649  -0.00000736   0.00000328   0.00000109 0.0 0.0 0.0 0.0 0.0  
   0.00011095   0.00003869  -0.00001726   0.00000770   0.00000256 0.0 0.0 0.0 0.0 0.0
   0.00027457   0.00009577  -0.00004273   0.00001906   0.00000634 0.0 0.0 0.0 0.0 0.0
   0.00055719   0.00019449  -0.00008677   0.00003870   0.00001288 0.0 0.0 0.0 0.0 0.0
   0.00107107   0.00037434  -0.00016705   0.00007452   0.00002481 0.0 0.0 0.0 0.0 0.0
   0.00194305   0.00068063  -0.00030379   0.00013552   0.00004511 0.0 0.0 0.0 0.0 0.0
   0.00350904   0.00123328  -0.00055089   0.00024580   0.00008185 0.0 0.0 0.0 0.0 0.0
   0.00635010   0.00224336  -0.00100231   0.00044720   0.00014884 0.0 0.0 0.0 0.0 0.0
   0.01176751   0.00418833  -0.00187494   0.00083695   0.00027881 0.0 0.0 0.0 0.0 0.0
   0.02227676   0.00802336  -0.00359370   0.00160422   0.00053376 0.0 0.0 0.0 0.0 0.0
   0.04294530   0.01576494  -0.00709219   0.00316913   0.00105643 0.0 0.0 0.0 0.0 0.0
   0.08244194   0.03129989  -0.01412542   0.00631551   0.00210095 0.0 0.0 0.0 0.0 0.0
   0.15146851   0.06112225  -0.02790452   0.01250752   0.00417414 0.0 0.0 0.0 0.0 0.0
   0.24613322   0.11129706  -0.05157896   0.02318995   0.00771696 0.0 0.0 0.0 0.0 0.0
   0.30653214   0.16921259  -0.08138106   0.03688172   0.01235343 0.0 0.0 0.0 0.0 0.0
   0.22834246   0.15961732  -0.08002186   0.03658687   0.01214907 0.0 0.0 0.0 0.0 0.0
   0.06938913  -0.04855829   0.03172934  -0.01515833  -0.00489612 0.0 0.0 0.0 0.0 0.0
   0.00478774  -0.41877794   0.31818737  -0.15945594  -0.05482271 0.0 0.0 0.0 0.0 0.0
   0.00028275  -0.48672775   0.49722360  -0.26465953  -0.08997653 0.0 0.0 0.0 0.0 0.0
  -0.00002880  -0.18810951   0.15602143  -0.09151314  -0.03530894 0.0 0.0 0.0 0.0 0.0
  -0.00008993  -0.02158714  -0.55967105   0.43033251   0.16633326 0.0 0.0 0.0 0.0 0.0
   0.00002972  -0.00057990  -0.64437137   0.79164891   0.31289398 0.0 0.0 0.0 0.0 0.0
  -0.00002248  -0.00020062  -0.16066423  -0.03185085  -0.02550059 0.0 0.0 0.0 0.0 0.0
   0.00001587   0.00030106  -0.01131405  -0.86139027  -0.49744096 1.0 0.0 0.0 0.0 0.0
  -0.00000495  -0.00004755  -0.00002405  -0.47460056  -0.43615695 0.0 1.0 0.0 0.0 0.0
   0.00000208   0.00002717  -0.00036132  -0.02617877   0.43519109 0.0 0.0 1.0 0.0 0.0
  -0.00000128  -0.00001804   0.00024524   0.00514776   0.64410595 0.0 0.0 0.0 0.0 0.0
   0.00000033   0.00000425  -0.00005450  -0.00126288   0.23315684 0.0 0.0 0.0 1.0 0.0
   0.0          0.0          0.0          0.0          0.0        0.0 0.0 0.0 0.0 1.0 

 3.678985D+06 5.669462D+05 1.207788D+05 3.296965D+04 1.084768D+04 
 4.099356D+03 1.714719D+03 7.724043D+02 3.673924D+02 1.820300D+02 
 9.308078D+01 4.879691D+01 2.607560D+01 1.410957D+01 7.660241D+00 
 4.116851D+00 2.095689D+00 1.043346D+00 4.470946D-01 2.005060D-01 
 7.870060D-02 2.756654D-02 

   0.00001150   0.00000537   0.00000231   0.00000064 0.0 0.0 0.0 0.0 0.0  
   0.00004399   0.00002057   0.00000886   0.00000246 0.0 0.0 0.0 0.0 0.0
   0.00016398   0.00007678   0.00003307   0.00000919 0.0 0.0 0.0 0.0 0.0
   0.00056252   0.00026384   0.00011366   0.00003154 0.0 0.0 0.0 0.0 0.0
   0.00188376   0.00088694   0.00038251   0.00010631 0.0 0.0 0.0 0.0 0.0
   0.00612205   0.00289573   0.00124933   0.00034664 0.0 0.0 0.0 0.0 0.0
   0.01891809   0.00905008   0.00391575   0.00108935 0.0 0.0 0.0 0.0 0.0
   0.05371477   0.02616563   0.01135356   0.00315187 0.0 0.0 0.0 0.0 0.0
   0.13198122   0.06663487   0.02914683   0.00812659 0.0 0.0 0.0 0.0 0.0
   0.25686737   0.13593433   0.05998396   0.01668431 0.0 0.0 0.0 0.0 0.0
   0.35024453   0.19568586   0.08766034   0.02459332 0.0 0.0 0.0 0.0 0.0
   0.26954194   0.10682535   0.04147721   0.01104205 0.0 0.0 0.0 0.0 0.0
   0.09110487  -0.19299239  -0.12015494  -0.03471671 0.0 0.0 0.0 0.0 0.0
   0.01018106  -0.48402458  -0.32107769  -0.09718185 0.0 0.0 0.0 0.0 0.0
   0.00036013  -0.37383525  -0.25005669  -0.07083484 0.0 0.0 0.0 0.0 0.0
  -0.00000906  -0.08908243   0.26846461   0.10157883 1.0 0.0 0.0 0.0 0.0
  -0.00011793  -0.00727329   0.59476929   0.24010508 0.0 0.0 0.0 0.0 0.0
   0.00000245   0.00000864   0.33447408   0.14032932 0.0 1.0 0.0 0.0 0.0
  -0.00001131  -0.00023826   0.03853322  -0.25189808 0.0 0.0 1.0 0.0 0.0
   0.00000462   0.00011512  -0.00106465  -0.55395603 0.0 0.0 0.0 0.0 0.0
  -0.00000096  -0.00002455   0.00069466  -0.37619877 0.0 0.0 0.0 1.0 0.0
   0.0          0.0          0.0          0.0        0.0 0.0 0.0 0.0 1.0

 4.703174D+03 1.330578D+03 4.876845D+02 2.096221D+02 9.890991D+01 
 4.920705D+01 2.523914D+01 1.318473D+01 6.946102D+00 3.599002D+00 
 1.805779D+00 8.809256D-01 4.064276D-01 1.644229D-01 6.427092D-02 

   0.00012238   0.00004879 0.0 0.0 0.0 0.0 0.0 
   0.00101728   0.00040680 0.0 0.0 0.0 0.0 0.0
   0.00610963   0.00245047 0.0 0.0 0.0 0.0 0.0
   0.02585999   0.01045150 0.0 0.0 0.0 0.0 0.0
   0.08201168   0.03352438 0.0 0.0 0.0 0.0 0.0
   0.19442033   0.08066084 0.0 0.0 0.0 0.0 0.0
   0.32179589   0.13038157 0.0 0.0 0.0 0.0 0.0
   0.35097646   0.12741454 0.0 0.0 0.0 0.0 0.0
   0.20242450  -0.03615863 0.0 0.0 0.0 0.0 0.0
   0.04763308  -0.30778700 0.0 0.0 0.0 0.0 0.0
   0.00286666  -0.43532009 1.0 0.0 0.0 0.0 0.0
   0.00015200  -0.29984595 0.0 1.0 0.0 0.0 0.0
  -0.00005734  -0.08701811 0.0 0.0 1.0 0.0 0.0
   0.00000209  -0.00653286 0.0 0.0 0.0 1.0 0.0
   0.0          0.0        0.0 0.0 0.0 0.0 1.0 

 3.487896D-01 3.790175D+00 1.150629D+00 1.411324D-01 

 1.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00 
 0.0000000D+00 1.0000000D+00 0.0000000D+00 0.0000000D+00 
 0.0000000D+00 0.0000000D+00 1.0000000D+00 0.0000000D+00 
 0.0000000D+00 0.0000000D+00 0.0000000D+00 1.0000000D+00 

 1.362028D+00 

 1.0000000D+00 

TE:PWCVTZ-X2C

 cc-pwCVTZ recontracted for SFX2C-1e

  5
    0    1    2    3    4
    9    8    6    3    1
   28   21   14    3    1

 5.537122D+08 8.517426D+07 1.792506D+07 4.812394D+06 1.554321D+06
 5.754794D+05 2.349347D+05 1.025865D+05 4.682985D+04 2.198700D+04
 1.050476D+04 5.076730D+03 2.476196D+03 1.219627D+03 6.080662D+02
 3.078851D+02 1.588377D+02 8.368128D+01 4.503552D+01 2.469589D+01
 1.371087D+01 7.621328D+00 4.170545D+00 2.077645D+00 1.042945D+00
 3.663105D-01 1.785887D-01 8.249023D-02

   0.00004728   0.00001649  -0.00000736   0.00000328   0.00000109 0.0 0.0 0.0 0.0 0.0  
   0.00011095   0.00003869  -0.00001726   0.00000770   0.00000256 0.0 0.0 0.0 0.0 0.0
   0.00027457   0.00009577  -0.00004273   0.00001906   0.00000634 0.0 0.0 0.0 0.0 0.0
   0.00055719   0.00019449  -0.00008677   0.00003870   0.00001288 0.0 0.0 0.0 0.0 0.0
   0.00107107   0.00037434  -0.00016705   0.00007452   0.00002481 0.0 0.0 0.0 0.0 0.0
   0.00194305   0.00068063  -0.00030379   0.00013552   0.00004511 0.0 0.0 0.0 0.0 0.0
   0.00350904   0.00123328  -0.00055089   0.00024580   0.00008185 0.0 0.0 0.0 0.0 0.0
   0.00635010   0.00224336  -0.00100231   0.00044720   0.00014884 0.0 0.0 0.0 0.0 0.0
   0.01176751   0.00418833  -0.00187494   0.00083695   0.00027881 0.0 0.0 0.0 0.0 0.0
   0.02227676   0.00802336  -0.00359370   0.00160422   0.00053376 0.0 0.0 0.0 0.0 0.0
   0.04294530   0.01576494  -0.00709219   0.00316913   0.00105643 0.0 0.0 0.0 0.0 0.0
   0.08244194   0.03129989  -0.01412542   0.00631551   0.00210095 0.0 0.0 0.0 0.0 0.0
   0.15146851   0.06112225  -0.02790452   0.01250752   0.00417414 0.0 0.0 0.0 0.0 0.0
   0.24613322   0.11129706  -0.05157896   0.02318995   0.00771696 0.0 0.0 0.0 0.0 0.0
   0.30653214   0.16921259  -0.08138106   0.03688172   0.01235343 0.0 0.0 0.0 0.0 0.0
   0.22834246   0.15961732  -0.08002186   0.03658687   0.01214907 0.0 0.0 0.0 0.0 0.0
   0.06938913  -0.04855829   0.03172934  -0.01515833  -0.00489612 0.0 0.0 0.0 0.0 0.0
   0.00478774  -0.41877794   0.31818737  -0.15945594  -0.05482271 0.0 0.0 0.0 0.0 0.0
   0.00028275  -0.48672775   0.49722360  -0.26465953  -0.08997653 0.0 0.0 0.0 0.0 0.0
  -0.00002880  -0.18810951   0.15602143  -0.09151314  -0.03530894 0.0 0.0 0.0 0.0 0.0
  -0.00008993  -0.02158714  -0.55967105   0.43033251   0.16633326 0.0 0.0 0.0 0.0 0.0
   0.00002972  -0.00057990  -0.64437137   0.79164891   0.31289398 0.0 0.0 0.0 0.0 0.0
  -0.00002248  -0.00020062  -0.16066423  -0.03185085  -0.02550059 0.0 0.0 0.0 0.0 0.0
   0.00001587   0.00030106  -0.01131405  -0.86139027  -0.49744096 1.0 0.0 0.0 0.0 0.0
  -0.00000495  -0.00004755  -0.00002405  -0.47460056  -0.43615695 0.0 1.0 0.0 0.0 0.0
   0.00000208   0.00002717  -0.00036132  -0.02617877   0.43519109 0.0 0.0 1.0 0.0 0.0
  -0.00000128  -0.00001804   0.00024524   0.00514776   0.64410595 0.0 0.0 0.0 0.0 0.0
   0.00000033   0.00000425  -0.00005450  -0.00126288   0.23315684 0.0 0.0 0.0 1.0 0.0

 3.678985D+06 5.669462D+05 1.207788D+05 3.296965D+04 1.084768D+04
 4.099356D+03 1.714719D+03 7.724043D+02 3.673924D+02 1.820300D+02
 9.308078D+01 4.879691D+01 2.607560D+01 1.410957D+01 7.660241D+00
 4.116851D+00 2.095689D+00 1.043346D+00 4.470946D-01 2.005060D-01
 7.870060D-02

   0.00001150   0.00000537   0.00000231   0.00000064 0.0 0.0 0.0 0.0  
   0.00004399   0.00002057   0.00000886   0.00000246 0.0 0.0 0.0 0.0
   0.00016398   0.00007678   0.00003307   0.00000919 0.0 0.0 0.0 0.0
   0.00056252   0.00026384   0.00011366   0.00003154 0.0 0.0 0.0 0.0
   0.00188376   0.00088694   0.00038251   0.00010631 0.0 0.0 0.0 0.0
   0.00612205   0.00289573   0.00124933   0.00034664 0.0 0.0 0.0 0.0
   0.01891809   0.00905008   0.00391575   0.00108935 0.0 0.0 0.0 0.0
   0.05371477   0.02616563   0.01135356   0.00315187 0.0 0.0 0.0 0.0
   0.13198122   0.06663487   0.02914683   0.00812659 0.0 0.0 0.0 0.0
   0.25686737   0.13593433   0.05998396   0.01668431 0.0 0.0 0.0 0.0
   0.35024453   0.19568586   0.08766034   0.02459332 0.0 0.0 0.0 0.0
   0.26954194   0.10682535   0.04147721   0.01104205 0.0 0.0 0.0 0.0
   0.09110487  -0.19299239  -0.12015494  -0.03471671 0.0 0.0 0.0 0.0
   0.01018106  -0.48402458  -0.32107769  -0.09718185 0.0 0.0 0.0 0.0
   0.00036013  -0.37383525  -0.25005669  -0.07083484 0.0 0.0 0.0 0.0
  -0.00000906  -0.08908243   0.26846461   0.10157883 1.0 0.0 0.0 0.0
  -0.00011793  -0.00727329   0.59476929   0.24010508 0.0 0.0 0.0 0.0
   0.00000245   0.00000864   0.33447408   0.14032932 0.0 1.0 0.0 0.0
  -0.00001131  -0.00023826   0.03853322  -0.25189808 0.0 0.0 1.0 0.0
   0.00000462   0.00011512  -0.00106465  -0.55395603 0.0 0.0 0.0 0.0
  -0.00000096  -0.00002455   0.00069466  -0.37619877 0.0 0.0 0.0 1.0

 4.703174D+03 1.330578D+03 4.876845D+02 2.096221D+02 9.890991D+01
 4.920705D+01 2.523914D+01 1.318473D+01 6.946102D+00 3.599002D+00
 1.805779D+00 8.809256D-01 4.064276D-01 1.644229D-01

   0.00012238   0.00004879 0.0 0.0 0.0 0.0 
   0.00101728   0.00040680 0.0 0.0 0.0 0.0
   0.00610963   0.00245047 0.0 0.0 0.0 0.0
   0.02585999   0.01045150 0.0 0.0 0.0 0.0
   0.08201168   0.03352438 0.0 0.0 0.0 0.0
   0.19442033   0.08066084 0.0 0.0 0.0 0.0
   0.32179589   0.13038157 0.0 0.0 0.0 0.0
   0.35097646   0.12741454 0.0 0.0 0.0 0.0
   0.20242450  -0.03615863 0.0 0.0 0.0 0.0
   0.04763308  -0.30778700 0.0 0.0 0.0 0.0
   0.00286666  -0.43532009 1.0 0.0 0.0 0.0
   0.00015200  -0.29984595 0.0 1.0 0.0 0.0
  -0.00005734  -0.08701811 0.0 0.0 1.0 0.0
   0.00000209  -0.00653286 0.0 0.0 0.0 1.0

 3.487896D-01 3.790175D+00 1.150629D+00

 1.0000000D+00 0.0000000D+00 0.0000000D+00
 0.0000000D+00 1.0000000D+00 0.0000000D+00
 0.0000000D+00 0.0000000D+00 1.0000000D+00

 1.362028D+00

 1.0000000D+00

TE:PVQZ-X2C

 cc-pVQZ recontracted for SFX2C-1e

  5
    0    1    2    3    4
    8    7    5    2    1
   30   23   17    2    1

 5.759137D+08 8.666573D+07 1.872853D+07 5.322278D+06 1.848743D+06 
 7.396282D+05 3.251287D+05 1.514855D+05 7.287892D+04 3.557198D+04 
 1.743487D+04 8.544374D+03 4.188953D+03 2.062630D+03 1.026404D+03 
 5.198756D+02 2.698531D+02 1.443030D+02 7.968443D+01 4.535861D+01 
 2.642573D+01 1.554077D+01 9.027051D+00 5.021099D+00 2.565858D+00 
 1.320779D+00 5.972022D-01 3.509706D-01 1.617473D-01 7.338029D-02 

   0.00004647   0.00001621  -0.00000723   0.00000322   0.00000107 0.0 0.0 0.0 
   0.00010971   0.00003826  -0.00001707   0.00000761   0.00000253 0.0 0.0 0.0
   0.00025855   0.00009018  -0.00004023   0.00001794   0.00000598 0.0 0.0 0.0
   0.00049074   0.00017128  -0.00007642   0.00003409   0.00001135 0.0 0.0 0.0
   0.00088025   0.00030757  -0.00013724   0.00006122   0.00002039 0.0 0.0 0.0
   0.00148175   0.00051867  -0.00023151   0.00010327   0.00003439 0.0 0.0 0.0
   0.00251255   0.00088185  -0.00039372   0.00017566   0.00005850 0.0 0.0 0.0
   0.00428766   0.00151054  -0.00067493   0.00030113   0.00010026 0.0 0.0 0.0
   0.00759704   0.00269167  -0.00120332   0.00053703   0.00017888 0.0 0.0 0.0
   0.01388824   0.00496097  -0.00222136   0.00099145   0.00033009 0.0 0.0 0.0
   0.02628259   0.00951337  -0.00426602   0.00190523   0.00063475 0.0 0.0 0.0
   0.05058850   0.01871192  -0.00842280   0.00376322   0.00125311 0.0 0.0 0.0
   0.09646832   0.03709877  -0.01678642   0.00751153   0.00250357 0.0 0.0 0.0
   0.17271460   0.07130241  -0.03264009   0.01463345   0.00487577 0.0 0.0 0.0
   0.26480486   0.12464515  -0.05819781   0.02621889   0.00875130 0.0 0.0 0.0
   0.29600791   0.17317788  -0.08402730   0.03812371   0.01272716 0.0 0.0 0.0
   0.18925542   0.13261182  -0.06722965   0.03089573   0.01037029 0.0 0.0 0.0
   0.04876771  -0.09375031   0.06017230  -0.02900345  -0.00985755 0.0 0.0 0.0
   0.00373409  -0.40683122   0.31509670  -0.15813767  -0.05376160 0.0 0.0 0.0
  -0.00013518  -0.44059899   0.44974841  -0.24057035  -0.08321005 0.0 0.0 0.0
   0.00031054  -0.19960893   0.19922604  -0.11143981  -0.03875694 0.0 0.0 0.0
  -0.00031973  -0.03433589  -0.37802828   0.26081893   0.09437062 0.0 0.0 0.0
   0.00015556  -0.00208290  -0.69471891   0.75902842   0.30556948 0.0 0.0 0.0
  -0.00009144  -0.00017500  -0.29249356   0.30426192   0.10982892 0.0 0.0 0.0
   0.00005058   0.00024029  -0.02329002  -0.69387475  -0.35597825 0.0 0.0 0.0
  -0.00002397   0.00001120  -0.00202725  -0.69335255  -0.54293681 0.0 0.0 0.0
   0.00001569   0.00002669   0.00018785  -0.10939819  -0.13508062 0.0 0.0 0.0
  -0.00000972  -0.00001710  -0.00018608   0.01242284   0.55849412 1.0 0.0 0.0
   0.00000286   0.00000331   0.00009691  -0.00330134   0.63135418 0.0 1.0 0.0
  -0.00000066  -0.00000121  -0.00001379   0.00043650   0.16685743 0.0 0.0 1.0

 9.522977D+06 1.441694D+06 2.982252D+05 7.853973D+04 2.487398D+04 
 9.057015D+03 3.662844D+03 1.603586D+03 7.460915D+02 3.642023D+02 
 1.848879D+02 9.698302D+01 5.226988D+01 2.875851D+01 1.600936D+01 
 8.901291D+00 4.852067D+00 2.526768D+00 1.293430D+00 6.288114D-01 
 2.937215D-01 1.297272D-01 5.506394D-02 

   0.00000533   0.00000249   0.00000107   0.00000030 0.0 0.0 0.0  
   0.00001955   0.00000913   0.00000393   0.00000109 0.0 0.0 0.0
   0.00006929   0.00003241   0.00001395   0.00000387 0.0 0.0 0.0
   0.00022300   0.00010449   0.00004501   0.00001249 0.0 0.0 0.0
   0.00070224   0.00032954   0.00014198   0.00003941 0.0 0.0 0.0
   0.00218833   0.00103128   0.00044482   0.00012345 0.0 0.0 0.0
   0.00672859   0.00318511   0.00137451   0.00038170 0.0 0.0 0.0
   0.01986596   0.00951585   0.00411785   0.00114336 0.0 0.0 0.0
   0.05425867   0.02645820   0.01148451   0.00319251 0.0 0.0 0.0
   0.12883391   0.06509259   0.02847161   0.00791850 0.0 0.0 0.0
   0.24445582   0.12915299   0.05698279   0.01588590 0.0 0.0 0.0
   0.33360635   0.18630574   0.08341736   0.02327753 0.0 0.0 0.0
   0.27325574   0.12136092   0.04979958   0.01373210 0.0 0.0 0.0
   0.10966424  -0.12972944  -0.08412670  -0.02486437 0.0 0.0 0.0
   0.01697367  -0.42634062  -0.27351545  -0.08105879 0.0 0.0 0.0
   0.00082024  -0.42790132  -0.30705548  -0.09251931 0.0 0.0 0.0
   0.00005631  -0.14644813   0.11821025   0.05373049 0.0 0.0 0.0
  -0.00013974  -0.01420808   0.55027020   0.20775823 0.0 0.0 0.0
  -0.00000313  -0.00073102   0.44051972   0.20411815 0.0 0.0 0.0
  -0.00001836  -0.00017647   0.09539300  -0.07265033 0.0 0.0 0.0
   0.00000659   0.00006317   0.00275127  -0.44622087 1.0 0.0 0.0
  -0.00000233  -0.00001314   0.00123434  -0.48827479 0.0 1.0 0.0
   0.00000076   0.00000601  -0.00012515  -0.16951647 0.0 0.0 1.0

 1.351474D+04 3.600160D+03 1.258830D+03 5.258444D+02 2.458533D+02 
 1.233466D+02 6.477146D+01 3.511868D+01 1.950081D+01 1.099532D+01 
 6.202309D+00 3.406892D+00 1.829414D+00 9.615615D-01 4.848733D-01 
 2.249995D-01 1.174331D-01 

   0.00001914   0.00000763 0.0 0.0 0.0 
   0.00015610   0.00006227 0.0 0.0 0.0
   0.00097659   0.00039044 0.0 0.0 0.0
   0.00465553   0.00186712 0.0 0.0 0.0
   0.01774714   0.00715935 0.0 0.0 0.0
   0.05345379   0.02175238 0.0 0.0 0.0
   0.12958757   0.05356119 0.0 0.0 0.0
   0.23528591   0.09702348 0.0 0.0 0.0
   0.31398738   0.12460454 0.0 0.0 0.0
   0.28860775   0.09106909 0.0 0.0 0.0
   0.15102875  -0.07594957 0.0 0.0 0.0
   0.03723871  -0.29423464 0.0 0.0 0.0
   0.00232699  -0.39194178 0.0 0.0 0.0
   0.00039668  -0.29314224 0.0 0.0 0.0
  -0.00016280  -0.11303645 1.0 0.0 0.0
   0.00005448  -0.01565615 0.0 1.0 0.0
  -0.00002428  -0.00085874 0.0 0.0 1.0

 5.190652D-01 2.136175D-01 

 1.0000000D+00 0.0000000D+00 
 0.0000000D+00 1.0000000D+00 

 4.296783D-01 

 1.0000000D+00 

TE:PWCVQZ-X2C

 cc-pwCVQZ recontracted for SFX2C-1e

  6
    0    1    2    3    4    5
   11   10    8    5    3    1
   30   23   17    5    3    1

 5.759137D+08 8.666573D+07 1.872853D+07 5.322278D+06 1.848743D+06 
 7.396282D+05 3.251287D+05 1.514855D+05 7.287892D+04 3.557198D+04 
 1.743487D+04 8.544374D+03 4.188953D+03 2.062630D+03 1.026404D+03 
 5.198756D+02 2.698531D+02 1.443030D+02 7.968443D+01 4.535861D+01 
 2.642573D+01 1.554077D+01 9.027051D+00 5.021099D+00 2.565858D+00 
 1.320779D+00 5.972022D-01 3.509706D-01 1.617473D-01 7.338029D-02 

   0.00004647   0.00001621  -0.00000723   0.00000322   0.00000107 0.0 0.0 0.0 0.0 0.0 0.0 
   0.00010971   0.00003826  -0.00001707   0.00000761   0.00000253 0.0 0.0 0.0 0.0 0.0 0.0
   0.00025855   0.00009018  -0.00004023   0.00001794   0.00000598 0.0 0.0 0.0 0.0 0.0 0.0
   0.00049074   0.00017128  -0.00007642   0.00003409   0.00001135 0.0 0.0 0.0 0.0 0.0 0.0
   0.00088025   0.00030757  -0.00013724   0.00006122   0.00002039 0.0 0.0 0.0 0.0 0.0 0.0
   0.00148175   0.00051867  -0.00023151   0.00010327   0.00003439 0.0 0.0 0.0 0.0 0.0 0.0
   0.00251255   0.00088185  -0.00039372   0.00017566   0.00005850 0.0 0.0 0.0 0.0 0.0 0.0
   0.00428766   0.00151054  -0.00067493   0.00030113   0.00010026 0.0 0.0 0.0 0.0 0.0 0.0
   0.00759704   0.00269167  -0.00120332   0.00053703   0.00017888 0.0 0.0 0.0 0.0 0.0 0.0
   0.01388824   0.00496097  -0.00222136   0.00099145   0.00033009 0.0 0.0 0.0 0.0 0.0 0.0
   0.02628259   0.00951337  -0.00426602   0.00190523   0.00063475 0.0 0.0 0.0 0.0 0.0 0.0
   0.05058850   0.01871192  -0.00842280   0.00376322   0.00125311 0.0 0.0 0.0 0.0 0.0 0.0
   0.09646832   0.03709877  -0.01678642   0.00751153   0.00250357 0.0 0.0 0.0 0.0 0.0 0.0
   0.17271460   0.07130241  -0.03264009   0.01463345   0.00487577 0.0 0.0 0.0 0.0 0.0 0.0
   0.26480486   0.12464515  -0.05819781   0.02621889   0.00875130 0.0 0.0 0.0 0.0 0.0 0.0
   0.29600791   0.17317788  -0.08402730   0.03812371   0.01272716 0.0 0.0 0.0 0.0 0.0 0.0
   0.18925542   0.13261182  -0.06722965   0.03089573   0.01037029 0.0 0.0 0.0 0.0 0.0 0.0
   0.04876771  -0.09375031   0.06017230  -0.02900345  -0.00985755 0.0 0.0 0.0 0.0 0.0 0.0
   0.00373409  -0.40683122   0.31509670  -0.15813767  -0.05376160 0.0 0.0 0.0 0.0 0.0 0.0
  -0.00013518  -0.44059899   0.44974841  -0.24057035  -0.08321005 0.0 0.0 0.0 0.0 0.0 0.0
   0.00031054  -0.19960893   0.19922604  -0.11143981  -0.03875694 0.0 0.0 0.0 0.0 0.0 0.0
  -0.00031973  -0.03433589  -0.37802828   0.26081893   0.09437062 0.0 0.0 0.0 0.0 0.0 0.0
   0.00015556  -0.00208290  -0.69471891   0.75902842   0.0        1.0 0.0 0.0 0.0 0.0 0.0
  -0.00009144  -0.00017500  -0.29249356   0.30426192   0.10982892 0.0 0.0 0.0 0.0 0.0 0.0
   0.00005058   0.00024029  -0.02329002  -0.69387475  -0.0        0.0 1.0 0.0 0.0 0.0 0.0
  -0.00002397   0.00001120  -0.00202725  -0.69335255  -0.0        0.0 0.0 1.0 0.0 0.0 0.0
   0.00001569   0.00002669   0.00018785  -0.10939819  -0.13508062 0.0 0.0 0.0 0.0 0.0 0.0
  -0.00000972  -0.00001710  -0.00018608   0.01242284   0.0        0.0 0.0 0.0 1.0 0.0 0.0
   0.00000286   0.00000331   0.00009691  -0.00330134   0.0        0.0 0.0 0.0 0.0 1.0 0.0
  -0.00000066  -0.00000121  -0.00001379   0.00043650   0.0        0.0 0.0 0.0 0.0 0.0 1.0

 9.522977D+06 1.441694D+06 2.982252D+05 7.853973D+04 2.487398D+04 
 9.057015D+03 3.662844D+03 1.603586D+03 7.460915D+02 3.642023D+02 
 1.848879D+02 9.698302D+01 5.226988D+01 2.875851D+01 1.600936D+01 
 8.901291D+00 4.852067D+00 2.526768D+00 1.293430D+00 6.288114D-01 
 2.937215D-01 1.297272D-01 5.506394D-02 

   0.00000533   0.00000249   0.00000107   0.00000030 0.0 0.0 0.0 0.0 0.0 0.0  
   0.00001955   0.00000913   0.00000393   0.00000109 0.0 0.0 0.0 0.0 0.0 0.0
   0.00006929   0.00003241   0.00001395   0.00000387 0.0 0.0 0.0 0.0 0.0 0.0
   0.00022300   0.00010449   0.00004501   0.00001249 0.0 0.0 0.0 0.0 0.0 0.0
   0.00070224   0.00032954   0.00014198   0.00003941 0.0 0.0 0.0 0.0 0.0 0.0
   0.00218833   0.00103128   0.00044482   0.00012345 0.0 0.0 0.0 0.0 0.0 0.0
   0.00672859   0.00318511   0.00137451   0.00038170 0.0 0.0 0.0 0.0 0.0 0.0
   0.01986596   0.00951585   0.00411785   0.00114336 0.0 0.0 0.0 0.0 0.0 0.0
   0.05425867   0.02645820   0.01148451   0.00319251 0.0 0.0 0.0 0.0 0.0 0.0
   0.12883391   0.06509259   0.02847161   0.00791850 0.0 0.0 0.0 0.0 0.0 0.0
   0.24445582   0.12915299   0.05698279   0.01588590 0.0 0.0 0.0 0.0 0.0 0.0
   0.33360635   0.18630574   0.08341736   0.02327753 0.0 0.0 0.0 0.0 0.0 0.0
   0.27325574   0.12136092   0.04979958   0.01373210 0.0 0.0 0.0 0.0 0.0 0.0
   0.10966424  -0.12972944  -0.08412670  -0.02486437 0.0 0.0 0.0 0.0 0.0 0.0
   0.01697367  -0.42634062  -0.27351545  -0.08105879 0.0 0.0 0.0 0.0 0.0 0.0
   0.00082024  -0.42790132  -0.30705548  -0.09251931 0.0 0.0 0.0 0.0 0.0 0.0
   0.00005631  -0.14644813   0.11821025   0.0        1.0 0.0 0.0 0.0 0.0 0.0
  -0.00013974  -0.01420808   0.55027020   0.0        0.0 1.0 0.0 0.0 0.0 0.0
  -0.00000313  -0.00073102   0.44051972   0.0        0.0 0.0 1.0 0.0 0.0 0.0
  -0.00001836  -0.00017647   0.09539300  -0.07265033 0.0 0.0 0.0 0.0 0.0 0.0
   0.00000659   0.00006317   0.00275127   0.0        0.0 0.0 0.0 1.0 0.0 0.0
  -0.00000233  -0.00001314   0.00123434   0.0        0.0 0.0 0.0 0.0 1.0 0.0
   0.00000076   0.00000601  -0.00012515   0.0        0.0 0.0 0.0 0.0 0.0 1.0

 1.351474D+04 3.600160D+03 1.258830D+03 5.258444D+02 2.458533D+02 
 1.233466D+02 6.477146D+01 3.511868D+01 1.950081D+01 1.099532D+01 
 6.202309D+00 3.406892D+00 1.829414D+00 9.615615D-01 4.848733D-01 
 2.249995D-01 1.174331D-01 

   0.00001914   0.00000763 0.0 0.0 0.0 0.0 0.0 0.0 
   0.00015610   0.00006227 0.0 0.0 0.0 0.0 0.0 0.0
   0.00097659   0.00039044 0.0 0.0 0.0 0.0 0.0 0.0
   0.00465553   0.00186712 0.0 0.0 0.0 0.0 0.0 0.0
   0.01774714   0.00715935 0.0 0.0 0.0 0.0 0.0 0.0
   0.05345379   0.02175238 0.0 0.0 0.0 0.0 0.0 0.0
   0.12958757   0.05356119 0.0 0.0 0.0 0.0 0.0 0.0
   0.23528591   0.09702348 0.0 0.0 0.0 0.0 0.0 0.0
   0.31398738   0.12460454 0.0 0.0 0.0 0.0 0.0 0.0
   0.28860775   0.09106909 0.0 0.0 0.0 0.0 0.0 0.0
   0.15102875  -0.07594957 0.0 0.0 0.0 0.0 0.0 0.0
   0.03723871  -0.29423464 1.0 0.0 0.0 0.0 0.0 0.0
   0.00232699  -0.39194178 0.0 1.0 0.0 0.0 0.0 0.0
   0.00039668  -0.29314224 0.0 0.0 1.0 0.0 0.0 0.0
  -0.00016280  -0.11303645 0.0 0.0 0.0 1.0 0.0 0.0
   0.00005448  -0.01565615 0.0 0.0 0.0 0.0 1.0 0.0
  -0.00002428  -0.00085874 0.0 0.0 0.0 0.0 0.0 1.0

 6.762460D+00 2.917928D+00 1.259054D+00 5.190652D-01 2.136175D-01 

 1.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00 
 0.0000000D+00 1.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00 
 0.0000000D+00 0.0000000D+00 1.0000000D+00 0.0000000D+00 0.0000000D+00 
 0.0000000D+00 0.0000000D+00 0.0000000D+00 1.0000000D+00 0.0000000D+00 
 0.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00 1.0000000D+00 

 3.892450D+00 1.280569D+00 4.296783D-01 

 1.0000000D+00 0.0000000D+00 0.0000000D+00 
 0.0000000D+00 1.0000000D+00 0.0000000D+00 
 0.0000000D+00 0.0000000D+00 1.0000000D+00 

 1.433147D+00 

 1.0000000D+00 

TE:APVQZ-X2C

 aug-cc-pVQZ recontracted for SFX2C-1e

  5
    0    1    2    3    4
    9    8    6    3    2
   31   24   18    3    2

 5.759137D+08 8.666573D+07 1.872853D+07 5.322278D+06 1.848743D+06
 7.396282D+05 3.251287D+05 1.514855D+05 7.287892D+04 3.557198D+04
 1.743487D+04 8.544374D+03 4.188953D+03 2.062630D+03 1.026404D+03
 5.198756D+02 2.698531D+02 1.443030D+02 7.968443D+01 4.535861D+01
 2.642573D+01 1.554077D+01 9.027051D+00 5.021099D+00 2.565858D+00
 1.320779D+00 5.972022D-01 3.509706D-01 1.617473D-01 7.338029D-02
 2.918354D-02

   0.00004647   0.00001621  -0.00000723   0.00000322   0.00000107 0.0 0.0 0.0 0.0 
   0.00010971   0.00003826  -0.00001707   0.00000761   0.00000253 0.0 0.0 0.0 0.0
   0.00025855   0.00009018  -0.00004023   0.00001794   0.00000598 0.0 0.0 0.0 0.0
   0.00049074   0.00017128  -0.00007642   0.00003409   0.00001135 0.0 0.0 0.0 0.0
   0.00088025   0.00030757  -0.00013724   0.00006122   0.00002039 0.0 0.0 0.0 0.0
   0.00148175   0.00051867  -0.00023151   0.00010327   0.00003439 0.0 0.0 0.0 0.0
   0.00251255   0.00088185  -0.00039372   0.00017566   0.00005850 0.0 0.0 0.0 0.0
   0.00428766   0.00151054  -0.00067493   0.00030113   0.00010026 0.0 0.0 0.0 0.0
   0.00759704   0.00269167  -0.00120332   0.00053703   0.00017888 0.0 0.0 0.0 0.0
   0.01388824   0.00496097  -0.00222136   0.00099145   0.00033009 0.0 0.0 0.0 0.0
   0.02628259   0.00951337  -0.00426602   0.00190523   0.00063475 0.0 0.0 0.0 0.0
   0.05058850   0.01871192  -0.00842280   0.00376322   0.00125311 0.0 0.0 0.0 0.0
   0.09646832   0.03709877  -0.01678642   0.00751153   0.00250357 0.0 0.0 0.0 0.0
   0.17271460   0.07130241  -0.03264009   0.01463345   0.00487577 0.0 0.0 0.0 0.0
   0.26480486   0.12464515  -0.05819781   0.02621889   0.00875130 0.0 0.0 0.0 0.0
   0.29600791   0.17317788  -0.08402730   0.03812371   0.01272716 0.0 0.0 0.0 0.0
   0.18925542   0.13261182  -0.06722965   0.03089573   0.01037029 0.0 0.0 0.0 0.0
   0.04876771  -0.09375031   0.06017230  -0.02900345  -0.00985755 0.0 0.0 0.0 0.0
   0.00373409  -0.40683122   0.31509670  -0.15813767  -0.05376160 0.0 0.0 0.0 0.0
  -0.00013518  -0.44059899   0.44974841  -0.24057035  -0.08321005 0.0 0.0 0.0 0.0
   0.00031054  -0.19960893   0.19922604  -0.11143981  -0.03875694 0.0 0.0 0.0 0.0
  -0.00031973  -0.03433589  -0.37802828   0.26081893   0.09437062 0.0 0.0 0.0 0.0
   0.00015556  -0.00208290  -0.69471891   0.75902842   0.30556948 0.0 0.0 0.0 0.0
  -0.00009144  -0.00017500  -0.29249356   0.30426192   0.10982892 0.0 0.0 0.0 0.0
   0.00005058   0.00024029  -0.02329002  -0.69387475  -0.35597825 0.0 0.0 0.0 0.0
  -0.00002397   0.00001120  -0.00202725  -0.69335255  -0.54293681 0.0 0.0 0.0 0.0
   0.00001569   0.00002669   0.00018785  -0.10939819  -0.13508062 0.0 0.0 0.0 0.0
  -0.00000972  -0.00001710  -0.00018608   0.01242284   0.55849412 1.0 0.0 0.0 0.0
   0.00000286   0.00000331   0.00009691  -0.00330134   0.63135418 0.0 1.0 0.0 0.0
  -0.00000066  -0.00000121  -0.00001379   0.00043650   0.16685743 0.0 0.0 1.0 0.0
   0.0          0.0          0.0          0.0          0.0        0.0 0.0 0.0 1.0

 9.522977D+06 1.441694D+06 2.982252D+05 7.853973D+04 2.487398D+04
 9.057015D+03 3.662844D+03 1.603586D+03 7.460915D+02 3.642023D+02
 1.848879D+02 9.698302D+01 5.226988D+01 2.875851D+01 1.600936D+01
 8.901291D+00 4.852067D+00 2.526768D+00 1.293430D+00 6.288114D-01
 2.937215D-01 1.297272D-01 5.506394D-02 2.189894D-02

   0.00000533   0.00000249   0.00000107   0.00000030 0.0 0.0 0.0 0.0  
   0.00001955   0.00000913   0.00000393   0.00000109 0.0 0.0 0.0 0.0
   0.00006929   0.00003241   0.00001395   0.00000387 0.0 0.0 0.0 0.0
   0.00022300   0.00010449   0.00004501   0.00001249 0.0 0.0 0.0 0.0
   0.00070224   0.00032954   0.00014198   0.00003941 0.0 0.0 0.0 0.0
   0.00218833   0.00103128   0.00044482   0.00012345 0.0 0.0 0.0 0.0
   0.00672859   0.00318511   0.00137451   0.00038170 0.0 0.0 0.0 0.0
   0.01986596   0.00951585   0.00411785   0.00114336 0.0 0.0 0.0 0.0
   0.05425867   0.02645820   0.01148451   0.00319251 0.0 0.0 0.0 0.0
   0.12883391   0.06509259   0.02847161   0.00791850 0.0 0.0 0.0 0.0
   0.24445582   0.12915299   0.05698279   0.01588590 0.0 0.0 0.0 0.0
   0.33360635   0.18630574   0.08341736   0.02327753 0.0 0.0 0.0 0.0
   0.27325574   0.12136092   0.04979958   0.01373210 0.0 0.0 0.0 0.0
   0.10966424  -0.12972944  -0.08412670  -0.02486437 0.0 0.0 0.0 0.0
   0.01697367  -0.42634062  -0.27351545  -0.08105879 0.0 0.0 0.0 0.0
   0.00082024  -0.42790132  -0.30705548  -0.09251931 0.0 0.0 0.0 0.0
   0.00005631  -0.14644813   0.11821025   0.05373049 0.0 0.0 0.0 0.0
  -0.00013974  -0.01420808   0.55027020   0.20775823 0.0 0.0 0.0 0.0
  -0.00000313  -0.00073102   0.44051972   0.20411815 0.0 0.0 0.0 0.0
  -0.00001836  -0.00017647   0.09539300  -0.07265033 0.0 0.0 0.0 0.0
   0.00000659   0.00006317   0.00275127  -0.44622087 1.0 0.0 0.0 0.0
  -0.00000233  -0.00001314   0.00123434  -0.48827479 0.0 1.0 0.0 0.0
   0.00000076   0.00000601  -0.00012515  -0.16951647 0.0 0.0 1.0 0.0
   0.0          0.0          0.0          0.0        0.0 0.0 0.0 1.0

 1.351474D+04 3.600160D+03 1.258830D+03 5.258444D+02 2.458533D+02
 1.233466D+02 6.477146D+01 3.511868D+01 1.950081D+01 1.099532D+01
 6.202309D+00 3.406892D+00 1.829414D+00 9.615615D-01 4.848733D-01
 2.249995D-01 1.174331D-01 6.324810D-02

   0.00001914   0.00000763 0.0 0.0 0.0 0.0 
   0.00015610   0.00006227 0.0 0.0 0.0 0.0
   0.00097659   0.00039044 0.0 0.0 0.0 0.0
   0.00465553   0.00186712 0.0 0.0 0.0 0.0
   0.01774714   0.00715935 0.0 0.0 0.0 0.0
   0.05345379   0.02175238 0.0 0.0 0.0 0.0
   0.12958757   0.05356119 0.0 0.0 0.0 0.0
   0.23528591   0.09702348 0.0 0.0 0.0 0.0
   0.31398738   0.12460454 0.0 0.0 0.0 0.0
   0.28860775   0.09106909 0.0 0.0 0.0 0.0
   0.15102875  -0.07594957 0.0 0.0 0.0 0.0
   0.03723871  -0.29423464 0.0 0.0 0.0 0.0
   0.00232699  -0.39194178 0.0 0.0 0.0 0.0
   0.00039668  -0.29314224 0.0 0.0 0.0 0.0
  -0.00016280  -0.11303645 1.0 0.0 0.0 0.0
   0.00005448  -0.01565615 0.0 1.0 0.0 0.0
  -0.00002428  -0.00085874 0.0 0.0 1.0 0.0
   0.0          0.0        0.0 0.0 0.0 1.0

 5.190652D-01 2.136175D-01 9.364131D-02

 1.0000000D+00 0.0000000D+00 0.0000000D+00
 0.0000000D+00 1.0000000D+00 0.0000000D+00
 0.0000000D+00 0.0000000D+00 1.0000000D+00

 4.296783D-01 2.041973D-01

 1.0000000D+00 0.0000000D+00
 0.0000000D+00 1.0000000D+00

TE:APWCVQZ-X2C

 aug-cc-pwCVQZ recontracted for SFX2C-1e

  6
    0    1    2    3    4    5
   12   11    9    6    4    1
   31   24   18    6    4    1

 5.759137D+08 8.666573D+07 1.872853D+07 5.322278D+06 1.848743D+06
 7.396282D+05 3.251287D+05 1.514855D+05 7.287892D+04 3.557198D+04
 1.743487D+04 8.544374D+03 4.188953D+03 2.062630D+03 1.026404D+03
 5.198756D+02 2.698531D+02 1.443030D+02 7.968443D+01 4.535861D+01
 2.642573D+01 1.554077D+01 9.027051D+00 5.021099D+00 2.565858D+00
 1.320779D+00 5.972022D-01 3.509706D-01 1.617473D-01 7.338029D-02
 2.918354D-02

   0.00004647   0.00001621  -0.00000723   0.00000322   0.00000107 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
   0.00010971   0.00003826  -0.00001707   0.00000761   0.00000253 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00025855   0.00009018  -0.00004023   0.00001794   0.00000598 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00049074   0.00017128  -0.00007642   0.00003409   0.00001135 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00088025   0.00030757  -0.00013724   0.00006122   0.00002039 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00148175   0.00051867  -0.00023151   0.00010327   0.00003439 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00251255   0.00088185  -0.00039372   0.00017566   0.00005850 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00428766   0.00151054  -0.00067493   0.00030113   0.00010026 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00759704   0.00269167  -0.00120332   0.00053703   0.00017888 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.01388824   0.00496097  -0.00222136   0.00099145   0.00033009 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.02628259   0.00951337  -0.00426602   0.00190523   0.00063475 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.05058850   0.01871192  -0.00842280   0.00376322   0.00125311 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.09646832   0.03709877  -0.01678642   0.00751153   0.00250357 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.17271460   0.07130241  -0.03264009   0.01463345   0.00487577 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.26480486   0.12464515  -0.05819781   0.02621889   0.00875130 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.29600791   0.17317788  -0.08402730   0.03812371   0.01272716 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.18925542   0.13261182  -0.06722965   0.03089573   0.01037029 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.04876771  -0.09375031   0.06017230  -0.02900345  -0.00985755 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00373409  -0.40683122   0.31509670  -0.15813767  -0.05376160 0.0 0.0 0.0 0.0 0.0 0.0 0.0
  -0.00013518  -0.44059899   0.44974841  -0.24057035  -0.08321005 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00031054  -0.19960893   0.19922604  -0.11143981  -0.03875694 0.0 0.0 0.0 0.0 0.0 0.0 0.0
  -0.00031973  -0.03433589  -0.37802828   0.26081893   0.09437062 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00015556  -0.00208290  -0.69471891   0.75902842   0.0        1.0 0.0 0.0 0.0 0.0 0.0 0.0
  -0.00009144  -0.00017500  -0.29249356   0.30426192   0.10982892 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00005058   0.00024029  -0.02329002  -0.69387475  -0.0        0.0 1.0 0.0 0.0 0.0 0.0 0.0
  -0.00002397   0.00001120  -0.00202725  -0.69335255  -0.0        0.0 0.0 1.0 0.0 0.0 0.0 0.0
   0.00001569   0.00002669   0.00018785  -0.10939819  -0.13508062 0.0 0.0 0.0 0.0 0.0 0.0 0.0
  -0.00000972  -0.00001710  -0.00018608   0.01242284   0.0        0.0 0.0 0.0 1.0 0.0 0.0 0.0
   0.00000286   0.00000331   0.00009691  -0.00330134   0.0        0.0 0.0 0.0 0.0 1.0 0.0 0.0
  -0.00000066  -0.00000121  -0.00001379   0.00043650   0.0        0.0 0.0 0.0 0.0 0.0 1.0 0.0
   0.0          0.0          0.0          0.0          0.0        0.0 0.0 0.0 0.0 0.0 0.0 1.0

 9.522977D+06 1.441694D+06 2.982252D+05 7.853973D+04 2.487398D+04
 9.057015D+03 3.662844D+03 1.603586D+03 7.460915D+02 3.642023D+02
 1.848879D+02 9.698302D+01 5.226988D+01 2.875851D+01 1.600936D+01
 8.901291D+00 4.852067D+00 2.526768D+00 1.293430D+00 6.288114D-01
 2.937215D-01 1.297272D-01 5.506394D-02 2.189894D-02

   0.00000533   0.00000249   0.00000107   0.00000030 0.0 0.0 0.0 0.0 0.0 0.0 0.0  
   0.00001955   0.00000913   0.00000393   0.00000109 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00006929   0.00003241   0.00001395   0.00000387 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00022300   0.00010449   0.00004501   0.00001249 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00070224   0.00032954   0.00014198   0.00003941 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00218833   0.00103128   0.00044482   0.00012345 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00672859   0.00318511   0.00137451   0.00038170 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.01986596   0.00951585   0.00411785   0.00114336 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.05425867   0.02645820   0.01148451   0.00319251 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.12883391   0.06509259   0.02847161   0.00791850 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.24445582   0.12915299   0.05698279   0.01588590 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.33360635   0.18630574   0.08341736   0.02327753 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.27325574   0.12136092   0.04979958   0.01373210 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.10966424  -0.12972944  -0.08412670  -0.02486437 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.01697367  -0.42634062  -0.27351545  -0.08105879 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00082024  -0.42790132  -0.30705548  -0.09251931 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00005631  -0.14644813   0.11821025   0.0        1.0 0.0 0.0 0.0 0.0 0.0 0.0
  -0.00013974  -0.01420808   0.55027020   0.0        0.0 1.0 0.0 0.0 0.0 0.0 0.0
  -0.00000313  -0.00073102   0.44051972   0.0        0.0 0.0 1.0 0.0 0.0 0.0 0.0
  -0.00001836  -0.00017647   0.09539300  -0.07265033 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00000659   0.00006317   0.00275127   0.0        0.0 0.0 0.0 1.0 0.0 0.0 0.0
  -0.00000233  -0.00001314   0.00123434   0.0        0.0 0.0 0.0 0.0 1.0 0.0 0.0
   0.00000076   0.00000601  -0.00012515   0.0        0.0 0.0 0.0 0.0 0.0 1.0 0.0
   0.0          0.0          0.0          0.0        0.0 0.0 0.0 0.0 0.0 0.0 1.0

 1.351474D+04 3.600160D+03 1.258830D+03 5.258444D+02 2.458533D+02
 1.233466D+02 6.477146D+01 3.511868D+01 1.950081D+01 1.099532D+01
 6.202309D+00 3.406892D+00 1.829414D+00 9.615615D-01 4.848733D-01
 2.249995D-01 1.174331D-01 6.324810D-02

   0.00001914   0.00000763 0.0 0.0 0.0 0.0 0.0 0.0 0.0 
   0.00015610   0.00006227 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00097659   0.00039044 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00465553   0.00186712 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.01774714   0.00715935 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.05345379   0.02175238 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.12958757   0.05356119 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.23528591   0.09702348 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.31398738   0.12460454 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.28860775   0.09106909 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.15102875  -0.07594957 0.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.03723871  -0.29423464 1.0 0.0 0.0 0.0 0.0 0.0 0.0
   0.00232699  -0.39194178 0.0 1.0 0.0 0.0 0.0 0.0 0.0
   0.00039668  -0.29314224 0.0 0.0 1.0 0.0 0.0 0.0 0.0
  -0.00016280  -0.11303645 0.0 0.0 0.0 1.0 0.0 0.0 0.0
   0.00005448  -0.01565615 0.0 0.0 0.0 0.0 1.0 0.0 0.0
  -0.00002428  -0.00085874 0.0 0.0 0.0 0.0 0.0 1.0 0.0
   0.0          0.0        0.0 0.0 0.0 0.0 0.0 0.0 1.0

 6.762460D+00 2.917928D+00 1.259054D+00 5.190652D-01 2.136175D-01
 9.364131D-02

 1.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00
 0.0000000D+00 1.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00
 0.0000000D+00 0.0000000D+00 1.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00
 0.0000000D+00 0.0000000D+00 0.0000000D+00 1.0000000D+00 0.0000000D+00 0.0000000D+00
 0.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00 1.0000000D+00 0.0000000D+00
 0.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00 1.0000000D+00

 3.892450D+00 1.280569D+00 4.296783D-01 2.041973D-01

 1.0000000D+00 0.0000000D+00 0.0000000D+00 0.0000000D+00
 0.0000000D+00 1.0000000D+00 0.0000000D+00 0.0000000D+00
 0.0000000D+00 0.0000000D+00 1.0000000D+00 0.0000000D+00
 0.0000000D+00 0.0000000D+00 0.0000000D+00 1.0000000D+00

 1.433147D+00

 1.0000000D+00
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CFOUR is partially supported by the U.S. National Science Foundation.