# all_value

name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   13
  1      4.1960000E+05          4.77600970281E-05      
  2      6.2830000E+04          2.38334285152E-04      
  3      1.4290000E+04          1.19599790768E-03      
  4      4.0380000E+03          5.02107506001E-03      
  5      1.3120000E+03          1.78465007176E-02      
  6      4.7050000E+02          5.49284626711E-02      
  7      1.8180000E+02          1.42751398390E-01      
  8      7.4460000E+01          2.90015718062E-01      
  9      3.1900000E+01          3.83727068387E-01      
 10      1.3960000E+01          2.31186996289E-01      
 11      5.1800000E+00          2.90139422878E-02      
 12      2.2650000E+00         -2.98215260003E-03      
 13      9.6640000E-01          1.65068115100E-03      
S   13
  1      4.1960000E+05         -1.22405379058E-05      
  2      6.2830000E+04         -6.02136982384E-05      
  3      1.4290000E+04         -3.09904070143E-04      
  4      4.0380000E+03         -1.30564160846E-03      
  5      1.3120000E+03         -4.73036613127E-03      
  6      4.7050000E+02         -1.48044156661E-02      
  7      1.8180000E+02         -4.09707714387E-02      
  8      7.4460000E+01         -9.29087625367E-02      
  9      3.1900000E+01         -1.64747412350E-01      
 10      1.3960000E+01         -1.39368044747E-01      
 11      5.1800000E+00          1.98542548137E-01      
 12      2.2650000E+00          5.72432842225E-01      
 13      9.6640000E-01          3.71143679483E-01      
S   13
  1      4.1960000E+05          2.83605670435E-06      
  2      6.2830000E+04          1.39084744680E-05      
  3      1.4290000E+04          7.16870053139E-05      
  4      4.0380000E+03          3.01329628875E-04      
  5      1.3120000E+03          1.09482529864E-03      
  6      4.7050000E+02          3.42279865204E-03      
  7      1.8180000E+02          9.54316151946E-03      
  8      7.4460000E+01          2.17533801336E-02      
  9      3.1900000E+01          3.96788046909E-02      
 10      1.3960000E+01          3.43704496332E-02      
 11      5.1800000E+00         -5.36483505784E-02      
 12      2.2650000E+00         -1.92734888097E-01      
 13      9.6640000E-01         -2.52252671636E-01      
S   1
  1      2.4470000E-01          1.0000000        
S   1
  1      1.1840000E-01          1.0000000        
S   1
  1      5.0210000E-02          1.0000000        
P   8
  1      8.9130000E+02          5.35331690064E-04      
  2      2.1130000E+02          4.26736174781E-03      
  3      6.8280000E+01          2.15074754704E-02      
  4      2.5700000E+01          7.67850178459E-02      
  5      1.0630000E+01          1.94594831955E-01      
  6      4.6020000E+00          3.34390592147E-01      
  7      2.0150000E+00          3.74687610455E-01      
  8      8.7060000E-01          2.03825078750E-01      
P   8
  1      8.9130000E+02         -9.66739031137E-05      
  2      2.1130000E+02         -7.64754815695E-04      
  3      6.8280000E+01         -3.91363599407E-03      
  4      2.5700000E+01         -1.39934846843E-02      
  5      1.0630000E+01         -3.67122061632E-02      
  6      4.6020000E+00         -6.27026989408E-02      
  7      2.0150000E+00         -7.88179303892E-02      
  8      8.7060000E-01         -2.86798383440E-02      
P   1
  1      2.9720000E-01          1.0000000        
P   1
  1      1.1000000E-01          1.0000000        
P   1
  1      3.9890000E-02          1.0000000        
D   1
  1      4.9400000E-01          1.0000000        
D   1
  1      1.9900000E-01          1.0000000        
D   1
  1      8.0400000E-02          1.0000000        
F   1
  1      4.0100000E-01          1.0000000        
F   1
  1      1.5400000E-01          1.0000000        
G   1
  1      3.5700000E-01          1.0000000        


name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Si
data:
SILICON
S   13
  1      5.1300000E+05          5.14780653192E-05      
  2      7.6820000E+04          2.37964656343E-04      
  3      1.7470000E+04          1.14587345578E-03      
  4      4.9350000E+03          4.76129588634E-03      
  5      1.6020000E+03          1.69137956137E-02      
  6      5.7410000E+02          5.21594605960E-02      
  7      2.2150000E+02          1.36814399579E-01      
  8      9.0540000E+01          2.82244668605E-01      
  9      3.8740000E+01          3.84164437241E-01      
 10      1.6950000E+01          2.43661189256E-01      
 11      6.4520000E+00          3.38848086655E-02      
 12      2.8740000E+00         -3.31844499023E-03      
 13      1.2500000E+00          1.85474513627E-03      
S   13
  1      5.1300000E+05         -1.35678309089E-05      
  2      7.6820000E+04         -6.17225308569E-05      
  3      1.7470000E+04         -3.03809545051E-04      
  4      4.9350000E+03         -1.26827311219E-03      
  5      1.6020000E+03         -4.58786168337E-03      
  6      5.7410000E+02         -1.43991734755E-02      
  7      2.2150000E+02         -4.00825037562E-02      
  8      9.0540000E+01         -9.22213017910E-02      
  9      3.8740000E+01         -1.65930215309E-01      
 10      1.6950000E+01         -1.50341545627E-01      
 11      6.4520000E+00          1.72332019912E-01      
 12      2.8740000E+00          5.69507603588E-01      
 13      1.2500000E+00          3.94591222157E-01      
S   13
  1      5.1300000E+05          3.49520858819E-06      
  2      7.6820000E+04          1.58378107956E-05      
  3      1.7470000E+04          7.81590438410E-05      
  4      4.9350000E+03          3.25216818246E-04      
  5      1.6020000E+03          1.18083078913E-03      
  6      5.7410000E+02          3.69907557845E-03      
  7      2.2150000E+02          1.03865438104E-02      
  8      9.0540000E+01          2.40026647908E-02      
  9      3.8740000E+01          4.45507073027E-02      
 10      1.6950000E+01          4.13160001596E-02      
 11      6.4520000E+00         -5.14953419922E-02      
 12      2.8740000E+00         -2.18095856820E-01      
 13      1.2500000E+00         -2.84935556851E-01      
S   1
  1      3.5990000E-01          1.0000000        
S   1
  1      1.6990000E-01          1.0000000        
S   1
  1      7.0660000E-02          1.0000000        
P   8
  1      1.1220000E+03          4.97537877246E-04      
  2      2.6600000E+02          3.94022479595E-03      
  3      8.5920000E+01          2.01074311687E-02      
  4      3.2330000E+01          7.31645825259E-02      
  5      1.3370000E+01          1.90264163934E-01      
  6      5.8000000E+00          3.35671343823E-01      
  7      2.5590000E+00          3.78922318712E-01      
  8      1.1240000E+00          2.00856580496E-01      
P   8
  1      1.1220000E+03         -1.06461413356E-04      
  2      2.6600000E+02         -8.32454884466E-04      
  3      8.5920000E+01         -4.33866757485E-03      
  4      3.2330000E+01         -1.57407202050E-02      
  5      1.3370000E+01         -4.27855081383E-02      
  6      5.8000000E+00         -7.46543114759E-02      
  7      2.5590000E+00         -9.67179069915E-02      
  8      1.1240000E+00         -2.08549670499E-02      
P   1
  1      3.9880000E-01          1.0000000        
P   1
  1      1.5330000E-01          1.0000000        
P   1
  1      5.7280000E-02          1.0000000        
D   1
  1      7.6000000E-01          1.0000000        
D   1
  1      3.0200000E-01          1.0000000        
D   1
  1      1.2000000E-01          1.0000000        
F   1
  1      5.4100000E-01          1.0000000        
F   1
  1      2.1200000E-01          1.0000000        
G   1
  1      4.6100000E-01          1.0000000        


name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: P
data:
PHOSPHOROUS
S   13
  1      6.1520000E+05          5.56908777643E-05      
  2      9.2120000E+04          2.41542678886E-04      
  3      2.0950000E+04          1.11417277100E-03      
  4      5.9200000E+03          4.56322190342E-03      
  5      1.9220000E+03          1.61689666256E-02      
  6      6.8800000E+02          5.00244307935E-02      
  7      2.6500000E+02          1.31964851698E-01      
  8      1.0820000E+02          2.75687155883E-01      
  9      4.6220000E+01          3.84159177288E-01      
 10      2.0230000E+01          2.53599000993E-01      
 11      7.8590000E+00          3.85664732792E-02      
 12      3.5470000E+00         -3.64331774929E-03      
 13      1.5640000E+00          2.05463574893E-03      
S   13
  1      6.1520000E+05         -1.50374677138E-05      
  2      9.2120000E+04         -6.41143909837E-05      
  3      2.0950000E+04         -3.01312848859E-04      
  4      5.9200000E+03         -1.24058081855E-03      
  5      1.9220000E+03         -4.47325431023E-03      
  6      6.8800000E+02         -1.40946120793E-02      
  7      2.6500000E+02         -3.93567835864E-02      
  8      1.0820000E+02         -9.16174764931E-02      
  9      4.6220000E+01         -1.67004608969E-01      
 10      2.0230000E+01         -1.59040758091E-01      
 11      7.8590000E+00          1.51284497699E-01      
 12      3.5470000E+00          5.67218523769E-01      
 13      1.5640000E+00          4.12359718502E-01      
S   13
  1      6.1520000E+05          4.16046566259E-06      
  2      9.2120000E+04          1.76710905971E-05      
  3      2.0950000E+04          8.32875668299E-05      
  4      5.9200000E+03          3.41682298475E-04      
  5      1.9220000E+03          1.23703833142E-03      
  6      6.8800000E+02          3.88930892968E-03      
  7      2.6500000E+02          1.09602090471E-02      
  8      1.0820000E+02          2.56255804658E-02      
  9      4.6220000E+01          4.82524754756E-02      
 10      2.0230000E+01          4.71006164538E-02      
 11      7.8590000E+00         -4.83545919588E-02      
 12      3.5470000E+00         -2.37223434344E-01      
 13      1.5640000E+00         -3.10280464396E-01      
S   1
  1      4.8880000E-01          1.0000000        
S   1
  1      2.2660000E-01          1.0000000        
S   1
  1      9.3310000E-02          1.0000000        
P   8
  1      1.3670000E+03          4.77164545604E-04      
  2      3.2400000E+02          3.75063384952E-03      
  3      1.0460000E+02          1.92651669716E-02      
  4      3.9370000E+01          7.11046432137E-02      
  5      1.6260000E+01          1.88681858324E-01      
  6      7.0560000E+00          3.38712171419E-01      
  7      3.1300000E+00          3.81328932331E-01      
  8      1.3940000E+00          1.94788867022E-01      
P   8
  1      1.3670000E+03         -1.13624519370E-04      
  2      3.2400000E+02         -8.81717756714E-04      
  3      1.0460000E+02         -4.62835050685E-03      
  4      3.9370000E+01         -1.70494944644E-02      
  5      1.6260000E+01         -4.73854037881E-02      
  6      7.0560000E+00         -8.45722035190E-02      
  7      3.1300000E+00         -1.09413927590E-01      
  8      1.3940000E+00         -1.23897553473E-02      
P   1
  1      5.1790000E-01          1.0000000        
P   1
  1      2.0320000E-01          1.0000000        
P   1
  1      7.6980000E-02          1.0000000        
D   1
  1      1.0360000E+00          1.0000000        
D   1
  1      4.1300000E-01          1.0000000        
D   1
  1      1.6500000E-01          1.0000000        
F   1
  1      7.0300000E-01          1.0000000        
F   1
  1      2.8000000E-01          1.0000000        
G   1
  1      5.9700000E-01          1.0000000        


name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: S
data:
SULFUR
S   13
  1      7.2780000E+05          6.02182407318E-05      
  2      1.0900000E+05          2.47225277467E-04      
  3      2.4800000E+04          1.09257614423E-03      
  4      7.0140000E+03          4.39507562102E-03      
  5      2.2780000E+03          1.55300018431E-02      
  6      8.1470000E+02          4.80973798583E-02      
  7      3.1340000E+02          1.27675031395E-01      
  8      1.2770000E+02          2.69846422493E-01      
  9      5.4480000E+01          3.83499119192E-01      
 10      2.3850000E+01          2.62671783579E-01      
 11      9.4280000E+00          4.30342213124E-02      
 12      4.2900000E+00         -3.74515333195E-03      
 13      1.9090000E+00          2.14742261801E-03      
S   13
  1      7.2780000E+05         -1.66029217598E-05      
  2      1.0900000E+05         -6.69814526408E-05      
  3      2.4800000E+04         -3.00629770892E-04      
  4      7.0140000E+03         -1.21605476908E-03      
  5      2.2780000E+03         -4.37008919177E-03      
  6      8.1470000E+02         -1.37908763084E-02      
  7      3.1340000E+02         -3.86633191632E-02      
  8      1.2770000E+02         -9.09714596330E-02      
  9      5.4480000E+01         -1.67609815376E-01      
 10      2.3850000E+01         -1.66681341897E-01      
 11      9.4280000E+00          1.32992304294E-01      
 12      4.2900000E+00          5.65662741456E-01      
 13      1.9090000E+00          4.27081977874E-01      
S   13
  1      7.2780000E+05          4.84217673481E-06      
  2      1.0900000E+05          1.94511006813E-05      
  3      2.4800000E+04          8.76268328675E-05      
  4      7.0140000E+03          3.52925071123E-04      
  5      2.2780000E+03          1.27421287954E-03      
  6      8.1470000E+02          4.01023866957E-03      
  7      3.1340000E+02          1.13545154989E-02      
  8      1.2770000E+02          2.68214210721E-02      
  9      5.4480000E+01          5.11276421870E-02      
 10      2.3850000E+01          5.21183108598E-02      
 11      9.4280000E+00         -4.43992992068E-02      
 12      4.2900000E+00         -2.52891260699E-01      
 13      1.9090000E+00         -3.30158411331E-01      
S   1
  1      6.2700000E-01          1.0000000        
S   1
  1      2.8730000E-01          1.0000000        
S   1
  1      1.1720000E-01          1.0000000        
P   8
  1      1.5460000E+03          5.08273906577E-04      
  2      3.6640000E+02          3.94382225666E-03      
  3      1.1840000E+02          2.02497004751E-02      
  4      4.4530000E+01          7.48741614814E-02      
  5      1.8380000E+01          1.97966515339E-01      
  6      7.9650000E+00          3.51854375917E-01      
  7      3.5410000E+00          3.77974986014E-01      
  8      1.5910000E+00          1.70419814420E-01      
P   8
  1      1.5460000E+03         -1.30287670888E-04      
  2      3.6640000E+02         -1.00091124870E-03      
  3      1.1840000E+02         -5.24152204350E-03      
  4      4.4530000E+01         -1.94330323733E-02      
  5      1.8380000E+01         -5.37483300476E-02      
  6      7.9650000E+00         -9.59333608671E-02      
  7      3.5410000E+00         -1.17951742284E-01      
  8      1.5910000E+00          1.06236834475E-02      
P   1
  1      6.2050000E-01          1.0000000        
P   1
  1      2.4200000E-01          1.0000000        
P   1
  1      9.0140000E-02          1.0000000        
D   1
  1      1.2500000E+00          1.0000000        
D   1
  1      5.0400000E-01          1.0000000        
D   1
  1      2.0300000E-01          1.0000000        
F   1
  1      8.6900000E-01          1.0000000        
F   1
  1      3.3500000E-01          1.0000000        
G   1
  1      6.8300000E-01          1.0000000        


name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   13
  1      8.3490000E+05          6.60558630211E-05      
  2      1.2500000E+05          2.60082654587E-04      
  3      2.8430000E+04          1.10770182101E-03      
  4      8.0330000E+03          4.38516166812E-03      
  5      2.6080000E+03          1.53984430786E-02      
  6      9.3390000E+02          4.74344452878E-02      
  7      3.6000000E+02          1.25687333412E-01      
  8      1.4700000E+02          2.66004564181E-01      
  9      6.2880000E+01          3.81586302321E-01      
 10      2.7600000E+01          2.67862370561E-01      
 11      1.1080000E+01          4.62963648625E-02      
 12      5.0750000E+00         -3.67061533358E-03      
 13      2.2780000E+00          2.15260765571E-03      
S   13
  1      8.3490000E+05         -1.85412698308E-05      
  2      1.2500000E+05         -7.17716948175E-05      
  3      2.8430000E+04         -3.09554368338E-04      
  4      8.0330000E+03         -1.23238395982E-03      
  5      2.6080000E+03         -4.39933027762E-03      
  6      9.3390000E+02         -1.38181304735E-02      
  7      3.6000000E+02         -3.86289719970E-02      
  8      1.4700000E+02         -9.10107289297E-02      
  9      6.2880000E+01         -1.68273531909E-01      
 10      2.7600000E+01         -1.71793585345E-01      
 11      1.1080000E+01          1.20818093914E-01      
 12      5.0750000E+00          5.64703587661E-01      
 13      2.2780000E+00          4.36245705812E-01      
S   13
  1      8.3490000E+05          5.63131083872E-06      
  2      1.2500000E+05          2.16994337194E-05      
  3      2.8430000E+04          9.39951512404E-05      
  4      8.0330000E+03          3.72419084090E-04      
  5      2.6080000E+03          1.33622955955E-03      
  6      9.3390000E+02          4.18431858405E-03      
  7      3.6000000E+02          1.18205968391E-02      
  8      1.4700000E+02          2.79531372326E-02      
  9      6.2880000E+01          5.35468250651E-02      
 10      2.7600000E+01          5.60422002203E-02      
 11      1.1080000E+01         -4.16790448887E-02      
 12      5.0750000E+00         -2.66576131188E-01      
 13      2.2780000E+00         -3.45146910981E-01      
S   1
  1      7.7750000E-01          1.0000000        
S   1
  1      3.5270000E-01          1.0000000        
S   1
  1      1.4310000E-01          1.0000000        
P   8
  1      1.7030000E+03          5.54451336193E-04      
  2      4.0360000E+02          4.26651982541E-03      
  3      1.3030000E+02          2.18354589640E-02      
  4      4.9050000E+01          8.02681182180E-02      
  5      2.0260000E+01          2.09693903450E-01      
  6      8.7870000E+00          3.64941568300E-01      
  7      3.9190000E+00          3.70885351077E-01      
  8      1.7650000E+00          1.45732193178E-01      
P   8
  1      1.7030000E+03         -1.50024774546E-04      
  2      4.0360000E+02         -1.14809873285E-03      
  3      1.3030000E+02         -5.97212667516E-03      
  4      4.9050000E+01         -2.21524347715E-02      
  5      2.0260000E+01         -6.03422505584E-02      
  6      8.7870000E+00         -1.06868269869E-01      
  7      3.9190000E+00         -1.22012024780E-01      
  8      1.7650000E+00          3.90762360324E-02      
P   1
  1      7.2070000E-01          1.0000000        
P   1
  1      2.8390000E-01          1.0000000        
P   1
  1      1.0600000E-01          1.0000000        
D   1
  1      1.5510000E+00          1.0000000        
D   1
  1      6.2800000E-01          1.0000000        
D   1
  1      2.5400000E-01          1.0000000        
F   1
  1      1.0890000E+00          1.0000000        
F   1
  1      4.2300000E-01          1.0000000        
G   1
  1      8.2700000E-01          1.0000000        


name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Ar
data:
ARGON
S   13
  1      9.5060000E+05          7.21277973269E-05      
  2      1.4230000E+05          2.73933540171E-04      
  3      3.2360000E+04          1.12521451192E-03      
  4      9.1450000E+03          4.36961243648E-03      
  5      2.9700000E+03          1.52502273136E-02      
  6      1.0640000E+03          4.67832857480E-02      
  7      4.1080000E+02          1.23726895685E-01      
  8      1.6800000E+02          2.62457161413E-01      
  9      7.1990000E+01          3.79872429775E-01      
 10      3.1670000E+01          2.72593996622E-01      
 11      1.2890000E+01          4.95090495060E-02      
 12      5.9290000E+00         -3.54870249643E-03      
 13      2.6780000E+00          2.14307854892E-03      
S   13
  1      9.5060000E+05         -2.05678307603E-05      
  2      1.4230000E+05         -7.68468381885E-05      
  3      3.2360000E+04         -3.18838317195E-04      
  4      9.1450000E+03         -1.24503578500E-03      
  5      2.9700000E+03         -4.41548910512E-03      
  6      1.0640000E+03         -1.38193578229E-02      
  7      4.1080000E+02         -3.85198096730E-02      
  8      1.6800000E+02         -9.09461754360E-02      
  9      7.1990000E+01         -1.68763382636E-01      
 10      3.1670000E+01         -1.76332482369E-01      
 11      1.2890000E+01          1.09671629331E-01      
 12      5.9290000E+00          5.64073403170E-01      
 13      2.6780000E+00          4.44258677281E-01      
S   13
  1      9.5060000E+05          6.45244701297E-06      
  2      1.4230000E+05          2.39969225158E-05      
  3      3.2360000E+04          1.00033773212E-04      
  4      9.1450000E+03          3.88627062237E-04      
  5      2.9700000E+03          1.38568887254E-03      
  6      1.0640000E+03          4.32280109988E-03      
  7      4.1080000E+02          1.21810550404E-02      
  8      1.6800000E+02          2.88646094535E-02      
  9      7.1990000E+01          5.55454110523E-02      
 10      3.1670000E+01          5.95222165565E-02      
 11      1.2890000E+01         -3.87651376250E-02      
 12      5.9290000E+00         -2.78068226313E-01      
 13      2.6780000E+00         -3.57980544254E-01      
S   1
  1      9.4160000E-01          1.0000000        
S   1
  1      4.2390000E-01          1.0000000        
S   1
  1      1.7140000E-01          1.0000000        
P   8
  1      1.8900000E+03          5.89888404947E-04      
  2      4.4780000E+02          4.48878487453E-03      
  3      1.4460000E+02          2.29153258599E-02      
  4      5.4460000E+01          8.40370338419E-02      
  5      2.2510000E+01          2.18002857763E-01      
  6      9.7740000E+00          3.74472061676E-01      
  7      4.3680000E+00          3.65412140399E-01      
  8      1.9590000E+00          1.28624885886E-01      
P   8
  1      1.8900000E+03         -1.65240927009E-04      
  2      4.4780000E+02         -1.25524213243E-03      
  3      1.4460000E+02         -6.49416402937E-03      
  4      5.4460000E+01         -2.41618257499E-02      
  5      2.2510000E+01         -6.51750939317E-02      
  6      9.7740000E+00         -1.15373937373E-01      
  7      4.3680000E+00         -1.23045448215E-01      
  8      1.9590000E+00          6.57860629396E-02      
P   1
  1      8.2600000E-01          1.0000000        
P   1
  1      3.2970000E-01          1.0000000        
P   1
  1      1.2420000E-01          1.0000000        
D   1
  1      1.8730000E+00          1.0000000        
D   1
  1      7.6300000E-01          1.0000000        
D   1
  1      3.1100000E-01          1.0000000        
F   1
  1      1.3250000E+00          1.0000000        
F   1
  1      5.4300000E-01          1.0000000        
G   1
  1      1.0070000E+00          1.0000000        


name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   18
  1      1.1274496E+07          7.08935828046E-05      
  2      1.6880534E+06          2.02671854287E-04      
  3      3.8414083E+05          5.45527171431E-04      
  4      1.0880703E+05          1.43103709569E-03      
  5      3.5497691E+04          3.89852635108E-03      
  6      1.2815104E+04          1.06889138356E-02      
  7      4.9981087E+03          2.84059630111E-02      
  8      2.0728848E+03          7.00367737330E-02      
  9      9.0374582E+02          1.53001103487E-01      
 10      4.1044307E+02          2.73683536425E-01      
 11      1.9260636E+02          3.43441733861E-01      
 12      9.2049678E+01          2.28061920195E-01      
 13      4.2047811E+01          4.51587129996E-02      
 14      2.1069217E+01         -2.24761555541E-03      
 15      1.0447915E+01          1.67058806443E-03      
 16      4.7776580E+00         -7.83543182013E-04      
 17      2.2825660E+00          3.29963235002E-04      
 18      1.0353030E+00         -1.33197502058E-04      
S   18
  1      1.1274496E+07         -2.26959663905E-05      
  2      1.6880534E+06         -6.46851020123E-05      
  3      3.8414083E+05         -1.74229515198E-04      
  4      1.0880703E+05         -4.54333715084E-04      
  5      3.5497691E+04         -1.24397168254E-03      
  6      1.2815104E+04         -3.42537045718E-03      
  7      4.9981087E+03         -9.27489518214E-03      
  8      2.0728848E+03         -2.35480525821E-02      
  9      9.0374582E+02         -5.50296121959E-02      
 10      4.1044307E+02         -1.11808688677E-01      
 11      1.9260636E+02         -1.81463561976E-01      
 12      9.2049678E+01         -1.61969674787E-01      
 13      4.2047811E+01          1.32771551158E-01      
 14      2.1069217E+01          5.45939303727E-01      
 15      1.0447915E+01          4.28645067375E-01      
 16      4.7776580E+00          6.84950285258E-02      
 17      2.2825660E+00         -5.14219056345E-04      
 18      1.0353030E+00          1.48040191727E-03      
S   18
  1      1.1274496E+07          8.69668422234E-06      
  2      1.6880534E+06          2.47525902365E-05      
  3      3.8414083E+05          6.69201434404E-05      
  4      1.0880703E+05          1.73968188561E-04      
  5      3.5497691E+04          4.78058857898E-04      
  6      1.2815104E+04          1.31243805299E-03      
  7      4.9981087E+03          3.57058782749E-03      
  8      2.0728848E+03          9.06813066875E-03      
  9      9.0374582E+02          2.14425070489E-02      
 10      4.1044307E+02          4.41293636361E-02      
 11      1.9260636E+02          7.45995546225E-02      
 12      9.2049678E+01          6.95653681092E-02      
 13      4.2047811E+01         -6.57297707765E-02      
 14      2.1069217E+01         -3.67453474092E-01      
 15      1.0447915E+01         -4.08417532460E-01      
 16      4.7776580E+00          2.31805332124E-01      
 17      2.2825660E+00          7.14075366399E-01      
 18      1.0353030E+00          3.46202013981E-01      
S   18
  1      1.1274496E+07         -2.04340527800E-06      
  2      1.6880534E+06         -5.79419965722E-06      
  3      3.8414083E+05         -1.57389322902E-05      
  4      1.0880703E+05         -4.06785851162E-05      
  5      3.5497691E+04         -1.12450697927E-04      
  6      1.2815104E+04         -3.07049072597E-04      
  7      4.9981087E+03         -8.39941510680E-04      
  8      2.0728848E+03         -2.12254820392E-03      
  9      9.0374582E+02         -5.05658266112E-03      
 10      4.1044307E+02         -1.03509730178E-02      
 11      1.9260636E+02         -1.77663380566E-02      
 12      9.2049678E+01         -1.63352307682E-02      
 13      4.2047811E+01          1.53212283438E-02      
 14      2.1069217E+01          9.46838794227E-02      
 15      1.0447915E+01          1.05576294372E-01      
 16      4.7776580E+00         -6.85333992863E-02      
 17      2.2825660E+00         -2.68705784251E-01      
 18      1.0353030E+00         -2.42923299523E-01      
S   1
  1      2.5767400E-01          1.0000000        
S   1
  1      1.1917900E-01          1.0000000        
S   1
  1      5.1294000E-02          1.0000000        
P   13
  1      2.2059771E+04          1.64881658948E-04      
  2      5.2223129E+03          7.16157221078E-04      
  3      1.6960601E+03          3.43024362274E-03      
  4      6.4876573E+02          1.35738989275E-02      
  5      2.7510267E+02          4.53089334901E-02      
  6      1.2534634E+02          1.22195145165E-01      
  7      6.0054334E+01          2.51289004295E-01      
  8      2.9723768E+01          3.59309493211E-01      
  9      1.5039781E+01          2.90896719531E-01      
 10      7.5722730E+00          9.60508774032E-02      
 11      3.7386760E+00          8.48890780773E-03      
 12      1.7967880E+00          1.35338737787E-03      
 13      8.2991000E-01          7.98208176987E-05      
P   13
  1      2.2059771E+04         -6.25725298601E-05      
  2      5.2223129E+03         -2.72830297377E-04      
  3      1.6960601E+03         -1.31098902177E-03      
  4      6.4876573E+02         -5.23682266426E-03      
  5      2.7510267E+02         -1.77492514201E-02      
  6      1.2534634E+02         -4.94678790820E-02      
  7      6.0054334E+01         -1.06030170565E-01      
  8      2.9723768E+01         -1.61109793877E-01      
  9      1.5039781E+01         -1.10303858486E-01      
 10      7.5722730E+00          1.51703471711E-01      
 11      3.7386760E+00          4.29546763850E-01      
 12      1.7967880E+00          4.20080755233E-01      
 13      8.2991000E-01          1.55780375145E-01      
P   13
  1      2.2059771E+04          1.02586657982E-05      
  2      5.2223129E+03          4.42093128905E-05      
  3      1.6960601E+03          2.15228963268E-04      
  4      6.4876573E+02          8.50230940154E-04      
  5      2.7510267E+02          2.92124779497E-03      
  6      1.2534634E+02          8.06340316763E-03      
  7      6.0054334E+01          1.76347521670E-02      
  8      2.9723768E+01          2.63598407482E-02      
  9      1.5039781E+01          1.86591263273E-02      
 10      7.5722730E+00         -3.24303127726E-02      
 11      3.7386760E+00         -8.03266810266E-02      
 12      1.7967880E+00         -9.96499038085E-02      
 13      8.2991000E-01         -6.98340311396E-03      
P   1
  1      2.7287400E-01          1.0000000        
P   1
  1      1.0154000E-01          1.0000000        
P   1
  1      3.7658000E-02          1.0000000        
D   9
  1      7.6643696E+02          1.96580860659E-04      
  2      2.3100425E+02          1.72752144827E-03      
  3      8.9781238E+01          9.42444376101E-03      
  4      3.9546681E+01          3.49004401227E-02      
  5      1.8607583E+01          9.59242444733E-02      
  6      9.1512870E+00          1.94504283374E-01      
  7      4.5650050E+00          2.82229639626E-01      
  8      2.2530660E+00          3.07822073574E-01      
  9      1.0867230E+00          2.52681398071E-01      
D   1
  1      5.0330400E-01          1.0000000        
D   1
  1      2.1228300E-01          1.0000000        
D   1
  1      8.2800000E-02          1.0000000        
F   1
  1      4.7100000E-01          1.0000000        
F   1
  1      1.8100000E-01          1.0000000        
G   1
  1      4.0320000E-01          1.0000000        


name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   18
  1      1.2360507E+07          7.42255719868E-05      
  2      1.8506978E+06          2.10952847798E-04      
  3      4.2113142E+05          5.62406772069E-04      
  4      1.1927826E+05          1.45333822267E-03      
  5      3.8912277E+04          3.89581488651E-03      
  6      1.4048682E+04          1.05440078251E-02      
  7      5.4806992E+03          2.78030202911E-02      
  8      2.2742055E+03          6.82890855787E-02      
  9      9.9224129E+02          1.49224449050E-01      
 10      4.5099966E+02          2.68538837437E-01      
 11      2.1182024E+02          3.42631283892E-01      
 12      1.0141102E+02          2.35316574900E-01      
 13      4.6914090E+01          5.01478677176E-02      
 14      2.3508950E+01         -1.82257894235E-03      
 15      1.1681311E+01          1.67429029459E-03      
 16      5.4345260E+00         -7.99488949272E-04      
 17      2.6088080E+00          3.39351577160E-04      
 18      1.1984420E+00         -1.44807732432E-04      
S   18
  1      1.2360507E+07         -2.38823548648E-05      
  2      1.8506978E+06         -6.77247342977E-05      
  3      4.2113142E+05         -1.80642214256E-04      
  4      1.1927826E+05         -4.64432906176E-04      
  5      3.8912277E+04         -1.25006607704E-03      
  6      1.4048682E+04         -3.39841340121E-03      
  7      5.4806992E+03         -9.12106672560E-03      
  8      2.2742055E+03         -2.30663079567E-02      
  9      9.9224129E+02         -5.37916021770E-02      
 10      4.5099966E+02         -1.09667687281E-01      
 11      2.1182024E+02         -1.79440805404E-01      
 12      1.0141102E+02         -1.67218776959E-01      
 13      4.6914090E+01          1.10593479094E-01      
 14      2.3508950E+01          5.33377804629E-01      
 15      1.1681311E+01          4.48864288673E-01      
 16      5.4345260E+00          8.00622379221E-02      
 17      2.6088080E+00         -2.05997417121E-05      
 18      1.1984420E+00          1.58848449264E-03      
S   18
  1      1.2360507E+07          9.24460471764E-06      
  2      1.8506978E+06          2.61953073400E-05      
  3      4.2113142E+05          7.00756363481E-05      
  4      1.1927826E+05          1.79785865916E-04      
  5      3.8912277E+04          4.85269326895E-04      
  6      1.4048682E+04          1.31636387561E-03      
  7      5.4806992E+03          3.54709437475E-03      
  8      2.2742055E+03          8.97900369411E-03      
  9      9.9224129E+02          2.11679823321E-02      
 10      4.5099966E+02          4.37408813202E-02      
 11      2.1182024E+02          7.43960900503E-02      
 12      1.0141102E+02          7.26171839494E-02      
 13      4.6914090E+01         -5.53432821460E-02      
 14      2.3508950E+01         -3.56237247825E-01      
 15      1.1681311E+01         -4.29445195630E-01      
 16      5.4345260E+00          1.84542686419E-01      
 17      2.6088080E+00          7.19389303387E-01      
 18      1.1984420E+00          3.78669053929E-01      
S   18
  1      1.2360507E+07         -2.39272017182E-06      
  2      1.8506978E+06         -6.75695050382E-06      
  3      4.2113142E+05         -1.81537344350E-05      
  4      1.1927826E+05         -4.63245128336E-05      
  5      3.8912277E+04         -1.25738667495E-04      
  6      1.4048682E+04         -3.39317323184E-04      
  7      5.4806992E+03         -9.19241736342E-04      
  8      2.2742055E+03         -2.31556349833E-03      
  9      9.9224129E+02         -5.49960217199E-03      
 10      4.5099966E+02         -1.13050163815E-02      
 11      2.1182024E+02         -1.95218920526E-02      
 12      1.0141102E+02         -1.88076353080E-02      
 13      4.6914090E+01          1.41178944917E-02      
 14      2.3508950E+01          1.01234577256E-01      
 15      1.1681311E+01          1.22957985803E-01      
 16      5.4345260E+00         -5.97339190814E-02      
 17      2.6088080E+00         -2.99574614045E-01      
 18      1.1984420E+00         -2.87478596399E-01      
S   1
  1      3.2980800E-01          1.0000000        
S   1
  1      1.5543300E-01          1.0000000        
S   1
  1      6.6913000E-02          1.0000000        
P   13
  1      2.4017466E+04          1.70001133710E-04      
  2      5.6857175E+03          7.15167807502E-04      
  3      1.8464859E+03          3.38530571106E-03      
  4      7.0624981E+02          1.33252431090E-02      
  5      2.9945610E+02          4.44849338553E-02      
  6      1.3643904E+02          1.20324512158E-01      
  7      6.5390155E+01          2.48808893765E-01      
  8      3.2393735E+01          3.58301216040E-01      
  9      1.6415616E+01          2.93369831692E-01      
 10      8.2877870E+00          9.90801412130E-02      
 11      4.1126340E+00          9.08468753270E-03      
 12      1.9988540E+00          1.38784767491E-03      
 13      9.4429100E-01          4.00358564222E-05      
P   13
  1      2.4017466E+04         -6.54953109968E-05      
  2      5.6857175E+03         -2.76616080428E-04      
  3      1.8464859E+03         -1.31356921944E-03      
  4      7.0624981E+02         -5.21977102991E-03      
  5      2.9945610E+02         -1.76916327036E-02      
  6      1.3643904E+02         -4.94525616228E-02      
  7      6.5390155E+01         -1.06610029557E-01      
  8      3.2393735E+01         -1.63170660773E-01      
  9      1.6415616E+01         -1.13724880376E-01      
 10      8.2877870E+00          1.48338588662E-01      
 11      4.1126340E+00          4.29883205808E-01      
 12      1.9988540E+00          4.21238368517E-01      
 13      9.4429100E-01          1.53934395074E-01      
P   13
  1      2.4017466E+04          1.28639477948E-05      
  2      5.6857175E+03          5.37980259148E-05      
  3      1.8464859E+03          2.58363910664E-04      
  4      7.0624981E+02          1.01716469249E-03      
  5      2.9945610E+02          3.48896957579E-03      
  6      1.3643904E+02          9.68027261750E-03      
  7      6.5390155E+01          2.12492371043E-02      
  8      3.2393735E+01          3.21321294312E-02      
  9      1.6415616E+01          2.29005998856E-02      
 10      8.2877870E+00         -3.84250641577E-02      
 11      4.1126340E+00         -9.83203191041E-02      
 12      1.9988540E+00         -1.22502409582E-01      
 13      9.4429100E-01         -4.58625354285E-03      
P   1
  1      3.4121100E-01          1.0000000        
P   1
  1      1.3435000E-01          1.0000000        
P   1
  1      5.1735000E-02          1.0000000        
D   9
  1      8.6467411E+02          1.88046591502E-04      
  2      2.6103763E+02          1.64121897994E-03      
  3      1.0177030E+02          8.95396283940E-03      
  4      4.5116641E+01          3.32547066874E-02      
  5      2.1430686E+01          9.16301624847E-02      
  6      1.0659861E+01          1.88240421433E-01      
  7      5.3922870E+00          2.79239201279E-01      
  8      2.7044970E+00          3.11254327230E-01      
  9      1.3285440E+00          2.56150084610E-01      
D   1
  1      6.2645200E-01          1.0000000        
D   1
  1      2.6601300E-01          1.0000000        
D   1
  1      1.0630000E-01          1.0000000        
F   1
  1      5.4920000E-01          1.0000000        
F   1
  1      2.1900000E-01          1.0000000        
G   1
  1      4.6810000E-01          1.0000000        


name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: As
data:
ARSENIC
S   18
  1      1.3600341E+07          7.73088221310E-05      
  2      2.0365073E+06          2.18415104331E-04      
  3      4.6343278E+05          5.76868673820E-04      
  4      1.3125994E+05          1.46890145626E-03      
  5      4.2819192E+04          3.87430141723E-03      
  6      1.5457019E+04          1.03511553915E-02      
  7      6.0284583E+03          2.70991280998E-02      
  8      2.5005599E+03          6.63917883124E-02      
  9      1.0906149E+03          1.45320788389E-01      
 10      4.9562154E+02          2.63337446844E-01      
 11      2.3281669E+02          3.41673620764E-01      
 12      1.1163118E+02          2.42594433110E-01      
 13      5.2269950E+01          5.56506307793E-02      
 14      2.6149878E+01         -1.22273991768E-03      
 15      1.3018757E+01          1.63959891781E-03      
 16      6.1554320E+00         -7.94733587935E-04      
 17      2.9591270E+00          3.36230282397E-04      
 18      1.3738740E+00         -1.51459951146E-04      
S   18
  1      1.3600341E+07         -2.49952542140E-05      
  2      2.0365073E+06         -7.05169488290E-05      
  3      4.6343278E+05         -1.86300195723E-04      
  4      1.3125994E+05         -4.72381578006E-04      
  5      4.2819192E+04         -1.24991945753E-03      
  6      1.5457019E+04         -3.35490705979E-03      
  7      6.0284583E+03         -8.93017633881E-03      
  8      2.5005599E+03         -2.25216034966E-02      
  9      1.0906149E+03         -5.24807394682E-02      
 10      4.9562154E+02         -1.07452019212E-01      
 11      2.3281669E+02         -1.77286619901E-01      
 12      1.1163118E+02         -1.72072043595E-01      
 13      5.2269950E+01          8.92674033671E-02      
 14      2.6149878E+01          5.19616557951E-01      
 15      1.3018757E+01          4.67428582334E-01      
 16      6.1554320E+00          9.26285366591E-02      
 17      2.9591270E+00          7.74755771872E-04      
 18      1.3738740E+00          1.64119718953E-03      
S   18
  1      1.3600341E+07          9.77484518720E-06      
  2      2.0365073E+06          2.75700471191E-05      
  3      4.6343278E+05          7.29979070395E-05      
  4      1.3125994E+05          1.84872707168E-04      
  5      4.2819192E+04          4.90157795074E-04      
  6      1.5457019E+04          1.31379819579E-03      
  7      6.0284583E+03          3.50834444380E-03      
  8      2.5005599E+03          8.86235722572E-03      
  9      1.0906149E+03          2.08572300947E-02      
 10      4.9562154E+02          4.33077815314E-02      
 11      2.3281669E+02          7.41281166930E-02      
 12      1.1163118E+02          7.55298505097E-02      
 13      5.2269950E+01         -4.52786137032E-02      
 14      2.6149878E+01         -3.44744912281E-01      
 15      1.3018757E+01         -4.48240577366E-01      
 16      6.1554320E+00          1.39860550251E-01      
 17      2.9591270E+00          7.23003681387E-01      
 18      1.3738740E+00          4.08114561042E-01      
S   18
  1      1.3600341E+07         -2.71800589243E-06      
  2      2.0365073E+06         -7.64246121368E-06      
  3      4.6343278E+05         -2.03154523357E-05      
  4      1.3125994E+05         -5.11923666767E-05      
  5      4.2819192E+04         -1.36445796966E-04      
  6      1.5457019E+04         -3.63900341271E-04      
  7      6.0284583E+03         -9.76858547497E-04      
  8      2.5005599E+03         -2.45585147205E-03      
  9      1.0906149E+03         -5.82216486111E-03      
 10      4.9562154E+02         -1.20285113760E-02      
 11      2.3281669E+02         -2.09001596317E-02      
 12      1.1163118E+02         -2.10417974263E-02      
 13      5.2269950E+01          1.22974833853E-02      
 14      2.6149878E+01          1.05336247762E-01      
 15      1.3018757E+01          1.38522604934E-01      
 16      6.1554320E+00         -4.81307193609E-02      
 17      2.9591270E+00         -3.24881283853E-01      
 18      1.3738740E+00         -3.27583951949E-01      
S   1
  1      4.0885000E-01          1.0000000        
S   1
  1      1.9451100E-01          1.0000000        
S   1
  1      8.3641000E-02          1.0000000        
P   13
  1      2.5570418E+04          1.79252784580E-04      
  2      6.0529237E+03          7.36293019135E-04      
  3      1.9657002E+03          3.44962333375E-03      
  4      7.5177229E+02          1.35035000962E-02      
  5      3.1868140E+02          4.50070039098E-02      
  6      1.4514749E+02          1.21612132966E-01      
  7      6.9541162E+01          2.51068300644E-01      
  8      3.4451376E+01          3.59561420953E-01      
  9      1.7460610E+01          2.90803909896E-01      
 10      8.8086090E+00          9.63716286383E-02      
 11      4.3786460E+00          8.46000199695E-03      
 12      2.1444050E+00          1.39602909133E-03      
 13      1.0293500E+00         -3.70923622993E-05      
P   13
  1      2.5570418E+04         -7.00897691444E-05      
  2      6.0529237E+03         -2.89130946110E-04      
  3      1.9657002E+03         -1.35871955632E-03      
  4      7.5177229E+02         -5.37151472811E-03      
  5      3.1868140E+02         -1.81768098608E-02      
  6      1.4514749E+02         -5.07907462829E-02      
  7      6.9541162E+01         -1.09362847073E-01      
  8      3.4451376E+01         -1.66601056129E-01      
  9      1.7460610E+01         -1.11985393934E-01      
 10      8.8086090E+00          1.58298076502E-01      
 11      4.3786460E+00          4.39413909494E-01      
 12      2.1444050E+00          4.14585873417E-01      
 13      1.0293500E+00          1.39602059432E-01      
P   13
  1      2.5570418E+04          1.55200250090E-05      
  2      6.0529237E+03          6.35535200682E-05      
  3      1.9657002E+03          3.01264940283E-04      
  4      7.5177229E+02          1.18301350043E-03      
  5      3.1868140E+02          4.04175461492E-03      
  6      1.4514749E+02          1.12436243191E-02      
  7      6.9541162E+01          2.45802382209E-02      
  8      3.4451376E+01          3.71985815315E-02      
  9      1.7460610E+01          2.51039859208E-02      
 10      8.8086090E+00         -4.61058875493E-02      
 11      4.3786460E+00         -1.16204114341E-01      
 12      2.1444050E+00         -1.39532641429E-01      
 13      1.0293500E+00          8.47258182702E-03      
P   1
  1      4.0463600E-01          1.0000000        
P   1
  1      1.6562200E-01          1.0000000        
P   1
  1      6.5610000E-02          1.0000000        
D   9
  1      9.9697960E+02          1.70210229400E-04      
  2      3.0098518E+02          1.48248471196E-03      
  3      1.1723473E+02          8.19906794284E-03      
  4      5.1956904E+01          3.11372828489E-02      
  5      2.4689440E+01          8.76253839326E-02      
  6      1.2295171E+01          1.84358169958E-01      
  7      6.2446520E+00          2.79495649987E-01      
  8      3.1554600E+00          3.15770414328E-01      
  9      1.5680490E+00          2.57888208486E-01      
D   1
  1      7.4864700E-01          1.0000000        
D   1
  1      3.1912500E-01          1.0000000        
D   1
  1      1.3000000E-01          1.0000000        
F   1
  1      6.4400000E-01          1.0000000        
F   1
  1      2.6400000E-01          1.0000000        
G   1
  1      5.4650000E-01          1.0000000        


name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Se
data:
SELENIUM
S   18
  1      1.5011000E+07          8.01528271378E-05      
  2      2.2475000E+06          2.25159038224E-04      
  3      5.1145000E+05          5.89295499600E-04      
  4      1.4487000E+05          1.47919825131E-03      
  5      4.7261000E+04          3.83812539370E-03      
  6      1.7062000E+04          1.01141440763E-02      
  7      6.6545000E+03          2.62660248006E-02      
  8      2.7598000E+03          6.41777830986E-02      
  9      1.2032000E+03          1.40812156119E-01      
 10      5.4653000E+02          2.57364627863E-01      
 11      2.5663000E+02          3.40521347494E-01      
 12      1.2314000E+02          2.50817397948E-01      
 13      5.8263000E+01          6.21571566972E-02      
 14      2.9023000E+01         -4.44106740701E-04      
 15      1.4465000E+01          1.57989830102E-03      
 16      6.9348000E+00         -7.77461450372E-04      
 17      3.3299000E+00          3.26076879956E-04      
 18      1.5600000E+00         -1.54693000048E-04      
S   18
  1      1.5011000E+07         -2.60365458993E-05      
  2      2.2475000E+06         -7.30900720412E-05      
  3      5.1145000E+05         -1.91314477537E-04      
  4      1.4487000E+05         -4.78629670977E-04      
  5      4.7261000E+04         -1.24481694544E-03      
  6      1.7062000E+04         -3.29602802863E-03      
  7      6.6545000E+03         -8.69273012836E-03      
  8      2.7598000E+03         -2.18565731724E-02      
  9      1.2032000E+03         -5.09144374615E-02      
 10      5.4653000E+02         -1.04811176561E-01      
 11      2.5663000E+02         -1.74751785278E-01      
 12      1.2314000E+02         -1.77038842090E-01      
 13      5.8263000E+01          6.79130592294E-02      
 14      2.9023000E+01          5.05030067365E-01      
 15      1.4465000E+01          4.84744923865E-01      
 16      6.9348000E+00          1.05986333834E-01      
 17      3.3299000E+00          1.83460817878E-03      
 18      1.5600000E+00          1.63819960621E-03      
S   18
  1      1.5011000E+07          1.02850622149E-05      
  2      2.2475000E+06          2.88784132439E-05      
  3      5.1145000E+05          7.57050749862E-05      
  4      1.4487000E+05          1.89333721806E-04      
  5      4.7261000E+04          4.93044752435E-04      
  6      1.7062000E+04          1.30465855641E-03      
  7      6.6545000E+03          3.44934288986E-03      
  8      2.7598000E+03          8.69212943143E-03      
  9      1.2032000E+03          2.04310540795E-02      
 10      5.4653000E+02          4.26705115042E-02      
 11      2.5663000E+02          7.36608883790E-02      
 12      1.2314000E+02          7.84783125731E-02      
 13      5.8263000E+01         -3.50546823813E-02      
 14      2.9023000E+01         -3.33018285362E-01      
 15      1.4465000E+01         -4.65059947076E-01      
 16      6.9348000E+00          9.82739360562E-02      
 17      3.3299000E+00          7.25076453437E-01      
 18      1.5600000E+00          4.34225741105E-01      
S   18
  1      1.5011000E+07         -3.02530382546E-06      
  2      2.2475000E+06         -8.46929007160E-06      
  3      5.1145000E+05         -2.22878577462E-05      
  4      1.4487000E+05         -5.54666371046E-05      
  5      4.7261000E+04         -1.45199899678E-04      
  6      1.7062000E+04         -3.82269169715E-04      
  7      6.6545000E+03         -1.01613622207E-03      
  8      2.7598000E+03         -2.54800942799E-03      
  9      1.2032000E+03         -6.03396516198E-03      
 10      5.4653000E+02         -1.25371805065E-02      
 11      2.5663000E+02         -2.19745936484E-02      
 12      1.2314000E+02         -2.31403171374E-02      
 13      5.8263000E+01          9.89532389416E-03      
 14      2.9023000E+01          1.07749552929E-01      
 15      1.4465000E+01          1.52482427843E-01      
 16      6.9348000E+00         -3.48412820035E-02      
 17      3.3299000E+00         -3.46703262651E-01      
 18      1.5600000E+00         -3.63170276533E-01      
S   1
  1      4.9291000E-01          1.0000000        
S   1
  1      2.3525000E-01          1.0000000        
S   1
  1      1.0037000E-01          1.0000000        
P   13
  1      2.5217000E+04          2.05080924663E-04      
  2      5.9699000E+03          8.44859906608E-04      
  3      1.9389000E+03          3.94430279397E-03      
  4      7.4166000E+02          1.53389016468E-02      
  5      3.1450000E+02          5.05942443602E-02      
  6      1.4331000E+02          1.34165213337E-01      
  7      6.8650000E+01          2.68879583994E-01      
  8      3.3995000E+01          3.65652683856E-01      
  9      1.7185000E+01          2.69512287612E-01      
 10      8.5740000E+00          7.65983935334E-02      
 11      4.2206000E+00          4.92523251923E-03      
 12      2.0521000E+00          1.28351352737E-03      
 13      9.6156000E-01         -1.90997726237E-04      
P   13
  1      2.5217000E+04         -8.13339296737E-05      
  2      5.9699000E+03         -3.36815910178E-04      
  3      1.9389000E+03         -1.57663493063E-03      
  4      7.4166000E+02         -6.20009242093E-03      
  5      3.1450000E+02         -2.07824106594E-02      
  6      1.4331000E+02         -5.71415664199E-02      
  7      6.8650000E+01         -1.19599632569E-01      
  8      3.3995000E+01         -1.73191313221E-01      
  9      1.7185000E+01         -8.94878879891E-02      
 10      8.5740000E+00          2.13230706796E-01      
 11      4.2206000E+00          4.74474831683E-01      
 12      2.0521000E+00          3.76713116957E-01      
 13      9.6156000E-01          8.89633055101E-02      
P   13
  1      2.5217000E+04          1.96336244452E-05      
  2      5.9699000E+03          8.11445806146E-05      
  3      1.9389000E+03          3.80970861279E-04      
  4      7.4166000E+02          1.49648663597E-03      
  5      3.1450000E+02          5.03822567064E-03      
  6      1.4331000E+02          1.38786284012E-02      
  7      6.8650000E+01          2.93040443783E-02      
  8      3.3995000E+01          4.26283832711E-02      
  9      1.7185000E+01          2.05572728824E-02      
 10      8.5740000E+00         -6.54889976095E-02      
 11      4.2206000E+00         -1.44031313031E-01      
 12      2.0521000E+00         -1.41544686259E-01      
 13      9.6156000E-01          6.93429302947E-02      
P   1
  1      4.2151000E-01          1.0000000        
P   1
  1      1.7626000E-01          1.0000000        
P   1
  1      7.0663000E-02          1.0000000        
D   9
  1      1.1434000E+03          1.54451583399E-04      
  2      3.4533000E+02          1.33867191745E-03      
  3      1.3446000E+02          7.48435897818E-03      
  4      5.9567000E+01          2.90520380525E-02      
  5      2.8283000E+01          8.37608154132E-02      
  6      1.4061000E+01          1.81175108792E-01      
  7      7.1390000E+00          2.81241263523E-01      
  8      3.6148000E+00          3.21422674330E-01      
  9      1.8072000E+00          2.58909208533E-01      
D   1
  1      8.6944000E-01          1.0000000        
D   1
  1      3.7036000E-01          1.0000000        
D   1
  1      1.5300000E-01          1.0000000        
F   1
  1      7.0970000E-01          1.0000000        
F   1
  1      2.8400000E-01          1.0000000        
G   1
  1      5.7300000E-01          1.0000000        


name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Br
data:
BROMINE
S   18
  1      1.6475000E+07          8.32523645916E-05      
  2      2.4666000E+06          2.32577176612E-04      
  3      5.6131000E+05          6.03726474446E-04      
  4      1.5899000E+05          1.49572493500E-03      
  5      5.1869000E+04          3.82196806186E-03      
  6      1.8726000E+04          9.93677999639E-03      
  7      7.3036000E+03          2.55897592780E-02      
  8      3.0291000E+03          6.22807526640E-02      
  9      1.3208000E+03          1.36764928442E-01      
 10      6.0003000E+02          2.51623213258E-01      
 11      2.8190000E+02          3.38486483283E-01      
 12      1.3554000E+02          2.57985780131E-01      
 13      6.4870000E+01          6.91114606791E-02      
 14      3.2129000E+01          6.58226247031E-04      
 15      1.6037000E+01          1.42608220302E-03      
 16      7.7849000E+00         -7.10110985898E-04      
 17      3.7247000E+00          2.89480287815E-04      
 18      1.7583000E+00         -1.46316270039E-04      
S   18
  1      1.6475000E+07         -2.71666007363E-05      
  2      2.4666000E+06         -7.58967649196E-05      
  3      5.6131000E+05         -1.96984963053E-04      
  4      1.5899000E+05         -4.86889860385E-04      
  5      5.1869000E+04         -1.24598729592E-03      
  6      1.8726000E+04         -3.25599063399E-03      
  7      7.3036000E+03         -8.50516586329E-03      
  8      3.0291000E+03         -2.12976094572E-02      
  9      1.3208000E+03         -4.95269085016E-02      
 10      6.0003000E+02         -1.02345262012E-01      
 11      2.8190000E+02         -1.71966296747E-01      
 12      1.3554000E+02         -1.80952131211E-01      
 13      6.4870000E+01          4.76552967487E-02      
 14      3.2129000E+01          4.88757462990E-01      
 15      1.6037000E+01          5.00487076273E-01      
 16      7.7849000E+00          1.20540300641E-01      
 17      3.7247000E+00          3.17456718031E-03      
 18      1.7583000E+00          1.59065329686E-03      
S   18
  1      1.6475000E+07          1.08366811458E-05      
  2      2.4666000E+06          3.02944243307E-05      
  3      5.6131000E+05          7.86963174126E-05      
  4      1.5899000E+05          1.94605935205E-04      
  5      5.1869000E+04          4.98280560065E-04      
  6      1.8726000E+04          1.30230141223E-03      
  7      7.3036000E+03          3.40766970017E-03      
  8      3.0291000E+03          8.55748696172E-03      
  9      1.3208000E+03          2.00612453139E-02      
 10      6.0003000E+02          4.20774442448E-02      
 11      2.8190000E+02          7.30595344886E-02      
 12      1.3554000E+02          8.09694276894E-02      
 13      6.4870000E+01         -2.52937738355E-02      
 14      3.2129000E+01         -3.20446623275E-01      
 15      1.6037000E+01         -4.79605693221E-01      
 16      7.7849000E+00          5.79925788172E-02      
 17      3.7247000E+00          7.25608875915E-01      
 18      1.7583000E+00          4.58345222540E-01      
S   18
  1      1.6475000E+07         -3.33606759700E-06      
  2      2.4666000E+06         -9.30052423973E-06      
  3      5.6131000E+05         -2.42472948490E-05      
  4      1.5899000E+05         -5.96810425165E-05      
  5      5.1869000E+04         -1.53584013827E-04      
  6      1.8726000E+04         -3.99395750856E-04      
  7      7.3036000E+03         -1.05076332465E-03      
  8      3.0291000E+03         -2.62569493672E-03      
  9      1.3208000E+03         -6.20148991883E-03      
 10      6.0003000E+02         -1.29401888851E-02      
 11      2.8190000E+02         -2.28146505937E-02      
 12      1.3554000E+02         -2.50022418987E-02      
 13      6.4870000E+01          7.25987055511E-03      
 14      3.2129000E+01          1.08578407290E-01      
 15      1.6037000E+01          1.65019278711E-01      
 16      7.7849000E+00         -2.03248560081E-02      
 17      3.7247000E+00         -3.64818985087E-01      
 18      1.7583000E+00         -3.96329008046E-01      
S   1
  1      5.8331000E-01          1.0000000        
S   1
  1      2.7856000E-01          1.0000000        
S   1
  1      1.1829000E-01          1.0000000        
P   13
  1      2.6607000E+04          2.16998829409E-04      
  2      6.2982000E+03          8.76008150492E-04      
  3      2.0452000E+03          4.05207656871E-03      
  4      7.8216000E+02          1.56711685123E-02      
  5      3.3163000E+02          5.15460889402E-02      
  6      1.5111000E+02          1.36265532769E-01      
  7      7.2392000E+01          2.71910903356E-01      
  8      3.5862000E+01          3.66409907601E-01      
  9      1.8134000E+01          2.65486574698E-01      
 10      9.0430000E+00          7.35503458911E-02      
 11      4.4500000E+00          4.46824290019E-03      
 12      2.1661000E+00          1.20748936925E-03      
 13      9.9628000E-01         -2.21791276036E-04      
P   13
  1      2.6607000E+04         -8.72543026047E-05      
  2      6.2982000E+03         -3.54111411063E-04      
  3      2.0452000E+03         -1.64259782167E-03      
  4      7.8216000E+02         -6.42469387700E-03      
  5      3.3163000E+02         -2.14847562346E-02      
  6      1.5111000E+02         -5.89128052401E-02      
  7      7.2392000E+01         -1.22891252072E-01      
  8      3.5862000E+01         -1.76219611653E-01      
  9      1.8134000E+01         -8.53844674443E-02      
 10      9.0430000E+00          2.26589604934E-01      
 11      4.4500000E+00          4.85993627413E-01      
 12      2.1661000E+00          3.65008353972E-01      
 13      9.9628000E-01          7.48044395905E-02      
P   13
  1      2.6607000E+04          2.25364964743E-05      
  2      6.2982000E+03          9.15044469204E-05      
  3      2.0452000E+03          4.24615878319E-04      
  4      7.8216000E+02          1.66329800146E-03      
  5      3.3163000E+02          5.57316515931E-03      
  6      1.5111000E+02          1.53577802408E-02      
  7      7.2392000E+01          3.22188304215E-02      
  8      3.5862000E+01          4.66854657322E-02      
  9      1.8134000E+01          2.02804781876E-02      
 10      9.0430000E+00         -7.42393820525E-02      
 11      4.4500000E+00         -1.63079596645E-01      
 12      2.1661000E+00         -1.45419501614E-01      
 13      9.9628000E-01          1.11821702134E-01      
P   1
  1      4.5443000E-01          1.0000000        
P   1
  1      1.9404000E-01          1.0000000        
P   1
  1      7.8997000E-02          1.0000000        
D   9
  1      1.2896000E+03          1.43967556706E-04      
  2      3.8975000E+02          1.23966074679E-03      
  3      1.5176000E+02          6.97752173195E-03      
  4      6.7223000E+01          2.75411018124E-02      
  5      3.1913000E+01          8.08760401169E-02      
  6      1.5857000E+01          1.78669933746E-01      
  7      8.0545000E+00          2.82631115858E-01      
  8      4.0887000E+00          3.25993202867E-01      
  9      2.0556000E+00          2.59229238329E-01      
D   1
  1      9.9509000E-01          1.0000000        
D   1
  1      4.2313000E-01          1.0000000        
D   1
  1      1.7790000E-01          1.0000000        
F   1
  1      8.2570000E-01          1.0000000        
F   1
  1      3.4070000E-01          1.0000000        
G   1
  1      6.4910000E-01          1.0000000        


name: cc-pVQZ(pt/sf/fw)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   18
  1      1.8226108E+07          8.58061117467E-05      
  2      2.7288025E+06          2.38365062673E-04      
  3      6.2099771E+05          6.13657138047E-04      
  4      1.7589958E+05          1.50047417071E-03      
  5      5.7387497E+04          3.77416889666E-03      
  6      2.0717181E+04          9.67595789262E-03      
  7      8.0788899E+03          2.46994991746E-02      
  8      3.3495170E+03          5.99257507899E-02      
  9      1.4597812E+03          1.31876718741E-01      
 10      6.6289391E+02          2.44742213794E-01      
 11      3.1139215E+02          3.35969598658E-01      
 12      1.4993751E+02          2.66347265777E-01      
 13      7.2498249E+01          7.78425376142E-02      
 14      3.5569354E+01          2.12545166056E-03      
 15      1.7766633E+01          1.21195121480E-03      
 16      8.7123830E+00         -6.15108204588E-04      
 17      4.1449710E+00          2.40355061035E-04      
 18      1.9696490E+00         -1.31732609971E-04      
S   18
  1      1.8226108E+07         -2.81236585630E-05      
  2      2.7288025E+06         -7.81854826410E-05      
  3      6.2099771E+05         -2.01193241516E-04      
  4      1.7589958E+05         -4.91325456387E-04      
  5      5.7387497E+04         -1.23654939374E-03      
  6      2.0717181E+04         -3.18763878784E-03      
  7      8.0788899E+03         -8.24185692101E-03      
  8      3.3495170E+03         -2.05686450768E-02      
  9      1.4597812E+03         -4.77880822056E-02      
 10      6.6289391E+02         -9.92854247730E-02      
 11      3.1139215E+02         -1.68533393242E-01      
 12      1.4993751E+02         -1.84981832673E-01      
 13      7.2498249E+01          2.62066176968E-02      
 14      3.5569354E+01          4.70575499777E-01      
 15      1.7766633E+01          5.15818707682E-01      
 16      8.7123830E+00          1.36643443046E-01      
 17      4.1449710E+00          4.77611596769E-03      
 18      1.9696490E+00          1.50909827893E-03      
S   18
  1      1.8226108E+07          1.13241143808E-05      
  2      2.7288025E+06          3.15143576072E-05      
  3      6.2099771E+05          8.11168348116E-05      
  4      1.7589958E+05          1.98341517513E-04      
  5      5.7387497E+04          4.99078577622E-04      
  6      2.0717181E+04          1.28780350163E-03      
  7      8.0788899E+03          3.33278647109E-03      
  8      3.3495170E+03          8.34652159421E-03      
  9      1.4597812E+03          1.95289505716E-02      
 10      6.6289391E+02          4.11965051407E-02      
 11      3.1139215E+02          7.21098435228E-02      
 12      1.4993751E+02          8.34600382714E-02      
 13      7.2498249E+01         -1.48290938697E-02      
 14      3.5569354E+01         -3.06497871518E-01      
 15      1.7766633E+01         -4.92642623677E-01      
 16      8.7123830E+00          1.81198619515E-02      
 17      4.1449710E+00          7.24460670000E-01      
 18      1.9696490E+00          4.81074822776E-01      
S   18
  1      1.8226108E+07         -3.62066690793E-06      
  2      2.7288025E+06         -1.00506376252E-05      
  3      6.2099771E+05         -2.59560052929E-05      
  4      1.7589958E+05         -6.31912620691E-05      
  5      5.7387497E+04         -1.59763062847E-04      
  6      2.0717181E+04         -4.10248411197E-04      
  7      8.0788899E+03         -1.06741832840E-03      
  8      3.3495170E+03         -2.66020425884E-03      
  9      1.4597812E+03         -6.27003885562E-03      
 10      6.6289391E+02         -1.31597378854E-02      
 11      3.1139215E+02         -2.33862994393E-02      
 12      1.4993751E+02         -2.67858203621E-02      
 13      7.2498249E+01          4.11311740189E-03      
 14      3.5569354E+01          1.07849612477E-01      
 15      1.7766633E+01          1.76469068193E-01      
 16      8.7123830E+00         -4.71331399364E-03      
 17      4.1449710E+00         -3.79567010845E-01      
 18      1.9696490E+00         -4.27642422946E-01      
S   1
  1      6.7995200E-01          1.0000000        
S   1
  1      3.2450200E-01          1.0000000        
S   1
  1      1.3744100E-01          1.0000000        
P   13
  1      2.8600831E+04          2.24412227482E-04      
  2      6.7709912E+03          8.81704854129E-04      
  3      2.1990489E+03          4.03006547798E-03      
  4      8.4117957E+02          1.54860743383E-02      
  5      3.5676633E+02          5.08604409889E-02      
  6      1.6263620E+02          1.34619087378E-01      
  7      7.7966035E+01          2.69727912235E-01      
  8      3.8661489E+01          3.65841605095E-01      
  9      1.9576791E+01          2.68008264063E-01      
 10      9.7917610E+00          7.57818146528E-02      
 11      4.8353830E+00          4.74664899078E-03      
 12      2.3681250E+00          1.17537863152E-03      
 13      1.0899960E+00         -2.29657233878E-04      
P   13
  1      2.8600831E+04         -9.14632148373E-05      
  2      6.7709912E+03         -3.61228827226E-04      
  3      2.1990489E+03         -1.65613606988E-03      
  4      8.4117957E+02         -6.43506726626E-03      
  5      3.5676633E+02         -2.14902672138E-02      
  6      1.6263620E+02         -5.89851487450E-02      
  7      7.7966035E+01         -1.23614436223E-01      
  8      3.8661489E+01         -1.78341102976E-01      
  9      1.9576791E+01         -8.89557209963E-02      
 10      9.7917610E+00          2.24807612601E-01      
 11      4.8353830E+00          4.90460726857E-01      
 12      2.3681250E+00          3.64877235953E-01      
 13      1.0899960E+00          7.20470999966E-02      
P   13
  1      2.8600831E+04          2.48029067086E-05      
  2      6.7709912E+03          9.81040320237E-05      
  3      2.1990489E+03          4.49457617332E-04      
  4      8.4117957E+02          1.75107937293E-03      
  5      3.5676633E+02          5.85334496030E-03      
  6      1.6263620E+02          1.61689982406E-02      
  7      7.7966035E+01          3.40376642392E-02      
  8      3.8661489E+01          4.97684329679E-02      
  9      1.9576791E+01          2.20597057957E-02      
 10      9.7917610E+00         -7.78435683690E-02      
 11      4.8353830E+00         -1.76550305558E-01      
 12      2.3681250E+00         -1.52004982543E-01      
 13      1.0899960E+00          1.36216539898E-01      
P   1
  1      5.0458800E-01          1.0000000        
P   1
  1      2.1845500E-01          1.0000000        
P   1
  1      8.9959000E-02          1.0000000        
D   9
  1      1.4377792E+03          1.36671703618E-04      
  2      4.3426846E+02          1.17129481874E-03      
  3      1.6892699E+02          6.63684243761E-03      
  4      7.4777535E+01          2.65279692251E-02      
  5      3.5516024E+01          7.88519998131E-02      
  6      1.7671051E+01          1.76413336819E-01      
  7      9.0046110E+00          2.82589410911E-01      
  8      4.5947730E+00          3.28725898997E-01      
  9      2.3264860E+00          2.59608025651E-01      
D   1
  1      1.1332470E+00          1.0000000        
D   1
  1      4.8130700E-01          1.0000000        
D   1
  1      2.0530000E-01          1.0000000        
F   1
  1      9.5570000E-01          1.0000000        
F   1
  1      4.1300000E-01          1.0000000        
G   1
  1      7.3950000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: H
data:
HYDROGEN
S   3
  1      8.2640000E+01          2.00729315576E-03      
  2      1.2410000E+01          1.53462367947E-02      
  3      2.8240000E+00          7.55857419171E-02      
S   1
  1      7.9770000E-01          1.0000000        
S   1
  1      2.5810000E-01          1.0000000        
S   1
  1      8.9890000E-02          1.0000000        
P   1
  1      2.2920000E+00          1.0000000        
P   1
  1      8.3800000E-01          1.0000000        
P   1
  1      2.9200000E-01          1.0000000        
D   1
  1      2.0620000E+00          1.0000000        
D   1
  1      6.6200000E-01          1.0000000        
F   1
  1      1.3970000E+00          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: He
data:
HELIUM
S   4
  1      5.2850000E+02          9.42026980689E-04      
  2      7.9310000E+01          7.22022712275E-03      
  3      1.8050000E+01          3.59895530961E-02      
  4      5.0850000E+00          1.27800077678E-01      
S   1
  1      1.6090000E+00          1.0000000        
S   1
  1      5.3630000E-01          1.0000000        
S   1
  1      1.8330000E-01          1.0000000        
P   1
  1      5.9940000E+00          1.0000000        
P   1
  1      1.7450000E+00          1.0000000        
P   1
  1      5.6000000E-01          1.0000000        
D   1
  1      4.2990000E+00          1.0000000        
D   1
  1      1.2230000E+00          1.0000000        
F   1
  1      2.6800000E+00          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: B
data:
BORON
S   9
  1      2.3870000E+04          9.20086789803E-05      
  2      3.5750000E+03          6.97399427274E-04      
  3      8.1280000E+02          3.62776081436E-03      
  4      2.2970000E+02          1.50095597388E-02      
  5      7.4690000E+01          5.15416753683E-02      
  6      2.6810000E+01          1.43427088338E-01      
  7      1.0320000E+01          3.00973161169E-01      
  8      4.1780000E+00          4.03352465960E-01      
  9      1.7270000E+00          2.25128115374E-01      
S   9
  1      2.3870000E+04         -1.85533142853E-05      
  2      3.5750000E+03         -1.41459138286E-04      
  3      8.1280000E+02         -7.31423218241E-04      
  4      2.2970000E+02         -3.07778307077E-03      
  5      7.4690000E+01         -1.06097023502E-02      
  6      2.6810000E+01         -3.14129557376E-02      
  7      1.0320000E+01         -7.10495940143E-02      
  8      4.1780000E+00         -1.32136663536E-01      
  9      1.7270000E+00         -1.22845423377E-01      
S   1
  1      4.7040000E-01          1.0000000        
S   1
  1      1.8960000E-01          1.0000000        
S   1
  1      7.3940000E-02          1.0000000        
P   3
  1      2.2260000E+01          5.10668469332E-03      
  2      5.0580000E+00          3.32153200809E-02      
  3      1.4870000E+00          1.32304633629E-01      
P   1
  1      5.0710000E-01          1.0000000        
P   1
  1      1.8120000E-01          1.0000000        
P   1
  1      6.4630000E-02          1.0000000        
D   1
  1      1.1100000E+00          1.0000000        
D   1
  1      4.0200000E-01          1.0000000        
D   1
  1      1.4500000E-01          1.0000000        
F   1
  1      8.8200000E-01          1.0000000        
F   1
  1      3.1100000E-01          1.0000000        
G   1
  1      6.7300000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: C
data:
CARBON
S   9
  1      3.3980000E+04          9.59454135942E-05      
  2      5.0890000E+03          7.19390211095E-04      
  3      1.1570000E+03          3.73429506621E-03      
  4      3.2660000E+02          1.54503979032E-02      
  5      1.0610000E+02          5.30894153110E-02      
  6      3.8110000E+01          1.47235516825E-01      
  7      1.4750000E+01          3.05692184001E-01      
  8      6.0350000E+00          3.99135337551E-01      
  9      2.5300000E+00          2.16708515811E-01      
S   9
  1      3.3980000E+04         -2.04730280056E-05      
  2      5.0890000E+03         -1.54420218174E-04      
  3      1.1570000E+03         -7.96829017797E-04      
  4      3.2660000E+02         -3.35483061870E-03      
  5      1.0610000E+02         -1.15861799642E-02      
  6      3.8110000E+01         -3.43243666367E-02      
  7      1.4750000E+01         -7.74388642241E-02      
  8      6.0350000E+00         -1.41959578444E-01      
  9      2.5300000E+00         -1.18003980130E-01      
S   1
  1      7.3550000E-01          1.0000000        
S   1
  1      2.9050000E-01          1.0000000        
S   1
  1      1.1110000E-01          1.0000000        
P   3
  1      3.4510000E+01          5.35421429072E-03      
  2      7.9150000E+00          3.59322203599E-02      
  3      2.3680000E+00          1.41660174796E-01      
P   1
  1      8.1320000E-01          1.0000000        
P   1
  1      2.8900000E-01          1.0000000        
P   1
  1      1.0070000E-01          1.0000000        
D   1
  1      1.8480000E+00          1.0000000        
D   1
  1      6.4900000E-01          1.0000000        
D   1
  1      2.2800000E-01          1.0000000        
F   1
  1      1.4190000E+00          1.0000000        
F   1
  1      4.8500000E-01          1.0000000        
G   1
  1      1.0110000E+00          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: N
data:
NITROGEN
S   9
  1      4.5840000E+04          9.96232402825E-05      
  2      6.8680000E+03          7.38065362331E-04      
  3      1.5630000E+03          3.80554333520E-03      
  4      4.4240000E+02          1.56564802751E-02      
  5      1.4430000E+02          5.33685834075E-02      
  6      5.2180000E+01          1.47058799977E-01      
  7      2.0340000E+01          3.04756903772E-01      
  8      8.3810000E+00          3.97430791910E-01      
  9      3.5290000E+00          2.17141331721E-01      
S   9
  1      4.5840000E+04         -2.20477834909E-05      
  2      6.8680000E+03         -1.64330674798E-04      
  3      1.5630000E+03         -8.42248877867E-04      
  4      4.4240000E+02         -3.52800359277E-03      
  5      1.4430000E+02         -1.20909905807E-02      
  6      5.2180000E+01         -3.56793773433E-02      
  7      2.0340000E+01         -8.05904812339E-02      
  8      8.3810000E+00         -1.47649197750E-01      
  9      3.5290000E+00         -1.16498745528E-01      
S   1
  1      1.0540000E+00          1.0000000        
S   1
  1      4.1180000E-01          1.0000000        
S   1
  1      1.5520000E-01          1.0000000        
P   3
  1      4.9330000E+01          5.50036761543E-03      
  2      1.1370000E+01          3.77153794715E-02      
  3      3.4350000E+00          1.47897519900E-01      
P   1
  1      1.1820000E+00          1.0000000        
P   1
  1      4.1730000E-01          1.0000000        
P   1
  1      1.4280000E-01          1.0000000        
D   1
  1      2.8370000E+00          1.0000000        
D   1
  1      9.6800000E-01          1.0000000        
D   1
  1      3.3500000E-01          1.0000000        
F   1
  1      2.0270000E+00          1.0000000        
F   1
  1      6.8500000E-01          1.0000000        
G   1
  1      1.4270000E+00          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: O
data:
OXYGEN
S   9
  1      6.1420000E+04          9.93442160128E-05      
  2      9.1990000E+03          7.26113468487E-04      
  3      2.0910000E+03          3.73682024239E-03      
  4      5.9090000E+02          1.53787782733E-02      
  5      1.9230000E+02          5.27108629279E-02      
  6      6.9320000E+01          1.46268319603E-01      
  7      2.6970000E+01          3.05362614808E-01      
  8      1.1100000E+01          3.98051440464E-01      
  9      4.6820000E+00          2.16410730214E-01      
S   9
  1      6.1420000E+04         -2.25645441582E-05      
  2      9.1990000E+03         -1.65920383823E-04      
  3      2.0910000E+03         -8.48815697976E-04      
  4      5.9090000E+02         -3.55672341392E-03      
  5      1.9230000E+02         -1.22603204690E-02      
  6      6.9320000E+01         -3.64626429778E-02      
  7      2.6970000E+01         -8.32412785171E-02      
  8      1.1100000E+01         -1.52379973643E-01      
  9      4.6820000E+00         -1.14781060699E-01      
S   1
  1      1.4280000E+00          1.0000000        
S   1
  1      5.5470000E-01          1.0000000        
S   1
  1      2.0670000E-01          1.0000000        
P   3
  1      6.3420000E+01          6.07711579702E-03      
  2      1.4660000E+01          4.18181669402E-02      
  3      4.4590000E+00          1.60967207648E-01      
P   1
  1      1.5310000E+00          1.0000000        
P   1
  1      5.3020000E-01          1.0000000        
P   1
  1      1.7500000E-01          1.0000000        
D   1
  1      3.7750000E+00          1.0000000        
D   1
  1      1.3000000E+00          1.0000000        
D   1
  1      4.4400000E-01          1.0000000        
F   1
  1      2.6660000E+00          1.0000000        
F   1
  1      8.5900000E-01          1.0000000        
G   1
  1      1.8460000E+00          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: F
data:
FLUORINE
S   9
  1      7.4530000E+04          1.07540404738E-04      
  2      1.1170000E+04          7.74519916980E-04      
  3      2.5430000E+03          3.95444133689E-03      
  4      7.2100000E+02          1.61343834330E-02      
  5      2.3590000E+02          5.46593172967E-02      
  6      8.5600000E+01          1.49950687111E-01      
  7      3.3550000E+01          3.08362144491E-01      
  8      1.3930000E+01          3.94222984047E-01      
  9      5.9150000E+00          2.10345743376E-01      
S   9
  1      7.4530000E+04         -2.49066550919E-05      
  2      1.1170000E+04         -1.80453530114E-04      
  3      2.5430000E+03         -9.16084050122E-04      
  4      7.2100000E+02         -3.80699049830E-03      
  5      2.3590000E+02         -1.29828233506E-02      
  6      8.5600000E+01         -3.82722801692E-02      
  7      3.3550000E+01         -8.64324734825E-02      
  8      1.3930000E+01         -1.55951478162E-01      
  9      5.9150000E+00         -1.09975263806E-01      
S   1
  1      1.8430000E+00          1.0000000        
S   1
  1      7.1240000E-01          1.0000000        
S   1
  1      2.6370000E-01          1.0000000        
P   3
  1      8.0390000E+01          6.40945734870E-03      
  2      1.8630000E+01          4.43103242034E-02      
  3      5.6940000E+00          1.68614333038E-01      
P   1
  1      1.9530000E+00          1.0000000        
P   1
  1      6.7020000E-01          1.0000000        
P   1
  1      2.1660000E-01          1.0000000        
D   1
  1      5.0140000E+00          1.0000000        
D   1
  1      1.7250000E+00          1.0000000        
D   1
  1      5.8600000E-01          1.0000000        
F   1
  1      3.5620000E+00          1.0000000        
F   1
  1      1.1480000E+00          1.0000000        
G   1
  1      2.3760000E+00          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Ne
data:
NEON
S   9
  1      9.9920000E+04          1.00619647235E-04      
  2      1.4960000E+04          7.11673708634E-04      
  3      3.3990000E+03          3.63002602822E-03      
  4      9.5890000E+02          1.49143654559E-02      
  5      3.1120000E+02          5.14122764025E-02      
  6      1.1170000E+02          1.44297992578E-01      
  7      4.3320000E+01          3.04732652422E-01      
  8      1.7800000E+01          3.99336330038E-01      
  9      7.5030000E+00          2.17770001384E-01      
S   9
  1      9.9920000E+04         -2.36595892562E-05      
  2      1.4960000E+04         -1.68362373473E-04      
  3      3.3990000E+03         -8.53589136544E-04      
  4      9.5890000E+02         -3.57138803547E-03      
  5      3.1120000E+02         -1.23809883748E-02      
  6      1.1170000E+02         -3.72823923087E-02      
  7      4.3320000E+01         -8.63701407118E-02      
  8      1.7800000E+01         -1.58499509348E-01      
  9      7.5030000E+00         -1.13109998853E-01      
S   1
  1      2.3370000E+00          1.0000000        
S   1
  1      9.0010000E-01          1.0000000        
S   1
  1      3.3010000E-01          1.0000000        
P   3
  1      9.9680000E+01          6.64834389371E-03      
  2      2.3150000E+01          4.61236057325E-02      
  3      7.1080000E+00          1.73558720976E-01      
P   1
  1      2.4410000E+00          1.0000000        
P   1
  1      8.3390000E-01          1.0000000        
P   1
  1      2.6620000E-01          1.0000000        
D   1
  1      6.4710000E+00          1.0000000        
D   1
  1      2.2130000E+00          1.0000000        
D   1
  1      7.4700000E-01          1.0000000        
F   1
  1      4.6570000E+00          1.0000000        
F   1
  1      1.5240000E+00          1.0000000        
G   1
  1      2.9830000E+00          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   13
  1      4.1960000E+05          4.02382107543E-05      
  2      6.2830000E+04          2.52262271701E-04      
  3      1.4290000E+04          1.23320253379E-03      
  4      4.0380000E+03          5.01390091052E-03      
  5      1.3120000E+03          1.76829995258E-02      
  6      4.7050000E+02          5.45571256828E-02      
  7      1.8180000E+02          1.42222824689E-01      
  8      7.4460000E+01          2.89552741503E-01      
  9      3.1900000E+01          3.83614000984E-01      
 10      1.3960000E+01          2.31324793510E-01      
 11      5.1800000E+00          2.90571752261E-02      
 12      2.2650000E+00         -2.97058241053E-03      
 13      9.6640000E-01          1.64942707640E-03      
S   13
  1      4.1960000E+05         -1.05197370190E-05      
  2      6.2830000E+04         -6.58709047799E-05      
  3      1.4290000E+04         -3.23277230056E-04      
  4      4.0380000E+03         -1.31320127013E-03      
  5      1.3120000E+03         -4.69523083032E-03      
  6      4.7050000E+02         -1.47201552845E-02      
  7      1.8180000E+02         -4.08230350661E-02      
  8      7.4460000E+01         -9.27504144107E-02      
  9      3.1900000E+01         -1.64614648534E-01      
 10      1.3960000E+01         -1.39394977823E-01      
 11      5.1800000E+00          1.98459256119E-01      
 12      2.2650000E+00          5.72395556941E-01      
 13      9.6640000E-01          3.71159469879E-01      
S   13
  1      4.1960000E+05          2.42998769887E-06      
  2      6.2830000E+04          1.52054951076E-05      
  3      1.4290000E+04          7.47152948804E-05      
  4      4.0380000E+03          3.03101545377E-04      
  5      1.3120000E+03          1.08659094762E-03      
  6      4.7050000E+02          3.40381084946E-03      
  7      1.8180000E+02          9.50828693568E-03      
  8      7.4460000E+01          2.17152038278E-02      
  9      3.1900000E+01          3.96454165786E-02      
 10      1.3960000E+01          3.43751355837E-02      
 11      5.1800000E+00         -5.36285672736E-02      
 12      2.2650000E+00         -1.92717542449E-01      
 13      9.6640000E-01         -2.52253330966E-01      
S   1
  1      2.4470000E-01          1.0000000        
S   1
  1      1.1840000E-01          1.0000000        
S   1
  1      5.0210000E-02          1.0000000        
P   8
  1      8.9130000E+02          5.33679559102E-04      
  2      2.1130000E+02          4.25560612016E-03      
  3      6.8280000E+01          2.14733665434E-02      
  4      2.5700000E+01          7.67258864948E-02      
  5      1.0630000E+01          1.94528159679E-01      
  6      4.6020000E+00          3.34349657810E-01      
  7      2.0150000E+00          3.74677214096E-01      
  8      8.7060000E-01          2.03830121651E-01      
P   8
  1      8.9130000E+02         -9.63487512055E-05      
  2      2.1130000E+02         -7.62813085875E-04      
  3      6.8280000E+01         -3.90734993311E-03      
  4      2.5700000E+01         -1.39829777715E-02      
  5      1.0630000E+01         -3.66991899891E-02      
  6      4.6020000E+00         -6.26952595439E-02      
  7      2.0150000E+00         -7.88138086255E-02      
  8      8.7060000E-01         -2.86812054580E-02      
P   1
  1      2.9720000E-01          1.0000000        
P   1
  1      1.1000000E-01          1.0000000        
P   1
  1      3.9890000E-02          1.0000000        
D   1
  1      4.9400000E-01          1.0000000        
D   1
  1      1.9900000E-01          1.0000000        
D   1
  1      8.0400000E-02          1.0000000        
F   1
  1      4.0100000E-01          1.0000000        
F   1
  1      1.5400000E-01          1.0000000        
G   1
  1      3.5700000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Si
data:
SILICON
S   13
  1      5.1300000E+05          3.99967464272E-05      
  2      7.6820000E+04          2.43097747223E-04      
  3      1.7470000E+04          1.17412752115E-03      
  4      4.9350000E+03          4.74963733410E-03      
  5      1.6020000E+03          1.67355991701E-02      
  6      5.7410000E+02          5.17451837341E-02      
  7      2.2150000E+02          1.36205189547E-01      
  8      9.0540000E+01          2.81693665487E-01      
  9      3.8740000E+01          3.84006610735E-01      
 10      1.6950000E+01          2.43819252567E-01      
 11      6.4520000E+00          3.39422292742E-02      
 12      2.8740000E+00         -3.30418819552E-03      
 13      1.2500000E+00          1.85327162320E-03      
S   13
  1      5.1300000E+05         -1.07136254035E-05      
  2      7.6820000E+04         -6.50727429067E-05      
  3      1.7470000E+04         -3.15320943726E-04      
  4      4.9350000E+03         -1.27543716900E-03      
  5      1.6020000E+03         -4.54942849974E-03      
  6      5.7410000E+02         -1.43028921699E-02      
  7      2.2150000E+02         -3.99099886185E-02      
  8      9.0540000E+01         -9.20301373180E-02      
  9      3.8740000E+01         -1.65767723983E-01      
 10      1.6950000E+01         -1.50363144587E-01      
 11      6.4520000E+00          1.72231975404E-01      
 12      2.8740000E+00          5.69454320126E-01      
 13      1.2500000E+00          3.94610985666E-01      
S   13
  1      5.1300000E+05          2.75094305384E-06      
  2      7.6820000E+04          1.66941758766E-05      
  3      1.7470000E+04          8.10219973119E-05      
  4      4.9350000E+03          3.27130933150E-04      
  5      1.6020000E+03          1.17074613750E-03      
  6      5.7410000E+02          3.67501196876E-03      
  7      2.2150000E+02          1.03413098867E-02      
  8      9.0540000E+01          2.39513912759E-02      
  9      3.8740000E+01          4.45051369141E-02      
 10      1.6950000E+01          4.13191143747E-02      
 11      6.4520000E+00         -5.14693275004E-02      
 12      2.8740000E+00         -2.18068895011E-01      
 13      1.2500000E+00         -2.84936101651E-01      
S   1
  1      3.5990000E-01          1.0000000        
S   1
  1      1.6990000E-01          1.0000000        
S   1
  1      7.0660000E-02          1.0000000        
P   8
  1      1.1220000E+03          4.95766590287E-04      
  2      2.6600000E+02          3.92752341814E-03      
  3      8.5920000E+01          2.00684786441E-02      
  4      3.2330000E+01          7.30945265899E-02      
  5      1.3370000E+01          1.90181419441E-01      
  6      5.8000000E+00          3.35617733311E-01      
  7      2.5590000E+00          3.78908490849E-01      
  8      1.1240000E+00          2.00863501659E-01      
P   8
  1      1.1220000E+03         -1.06021721969E-04      
  2      2.6600000E+02         -8.30070282542E-04      
  3      8.5920000E+01         -4.33007647194E-03      
  4      3.2330000E+01         -1.57261890901E-02      
  5      1.3370000E+01         -4.27660593507E-02      
  6      5.8000000E+00         -7.46428690521E-02      
  7      2.5590000E+00         -9.67108776762E-02      
  8      1.1240000E+00         -2.08582366626E-02      
P   1
  1      3.9880000E-01          1.0000000        
P   1
  1      1.5330000E-01          1.0000000        
P   1
  1      5.7280000E-02          1.0000000        
D   1
  1      7.6000000E-01          1.0000000        
D   1
  1      3.0200000E-01          1.0000000        
D   1
  1      1.2000000E-01          1.0000000        
F   1
  1      5.4100000E-01          1.0000000        
F   1
  1      2.1200000E-01          1.0000000        
G   1
  1      4.6100000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: P
data:
PHOSPHOROUS
S   13
  1      6.1520000E+05          4.02665086448E-05      
  2      9.2120000E+04          2.37280789047E-04      
  3      2.0950000E+04          1.13122627308E-03      
  4      5.9200000E+03          4.54413226688E-03      
  5      1.9220000E+03          1.59748326715E-02      
  6      6.8800000E+02          4.95625594806E-02      
  7      2.6500000E+02          1.31273038676E-01      
  8      1.0820000E+02          2.75040768666E-01      
  9      4.6220000E+01          3.83951828895E-01      
 10      2.0230000E+01          2.53777507297E-01      
 11      7.8590000E+00          3.86398429230E-02      
 12      3.5470000E+00         -3.62608854217E-03      
 13      1.5640000E+00          2.05300120908E-03      
S   13
  1      6.1520000E+05         -1.10114078078E-05      
  2      9.2120000E+04         -6.48722772770E-05      
  3      2.0950000E+04         -3.10143313106E-04      
  4      5.9200000E+03         -1.24649354477E-03      
  5      1.9220000E+03         -4.43106838619E-03      
  6      6.8800000E+02         -1.39849716565E-02      
  7      2.6500000E+02         -3.91585893094E-02      
  8      1.0820000E+02         -9.13905198137E-02      
  9      4.6220000E+01         -1.66809232406E-01      
 10      2.0230000E+01         -1.59055741121E-01      
 11      7.8590000E+00          1.51166596235E-01      
 12      3.5470000E+00          5.67146867847E-01      
 13      1.5640000E+00          4.12383710007E-01      
S   13
  1      6.1520000E+05          3.03728007682E-06      
  2      9.2120000E+04          1.78772882044E-05      
  3      2.0950000E+04          8.56136722459E-05      
  4      5.9200000E+03          3.43409146519E-04      
  5      1.9220000E+03          1.22513212860E-03      
  6      6.8800000E+02          3.85982601268E-03      
  7      2.6500000E+02          1.09045213569E-02      
  8      1.0820000E+02          2.55600653578E-02      
  9      4.6220000E+01          4.81935735525E-02      
 10      2.0230000E+01          4.71011454047E-02      
 11      7.8590000E+00         -4.83220763897E-02      
 12      3.5470000E+00         -2.37185041039E-01      
 13      1.5640000E+00         -3.10280740300E-01      
S   1
  1      4.8880000E-01          1.0000000        
S   1
  1      2.2660000E-01          1.0000000        
S   1
  1      9.3310000E-02          1.0000000        
P   8
  1      1.3670000E+03          4.75163446266E-04      
  2      3.2400000E+02          3.73664723222E-03      
  3      1.0460000E+02          1.92209061930E-02      
  4      3.9370000E+01          7.10224562183E-02      
  5      1.6260000E+01          1.88581373270E-01      
  6      7.0560000E+00          3.38644801139E-01      
  7      3.1300000E+00          3.81311766150E-01      
  8      1.3940000E+00          1.94798015650E-01      
P   8
  1      1.3670000E+03         -1.13073834003E-04      
  2      3.2400000E+02         -8.78827441383E-04      
  3      1.0460000E+02         -4.61749707359E-03      
  4      3.9370000E+01         -1.70305207601E-02      
  5      1.6260000E+01         -4.73590335349E-02      
  6      7.0560000E+00         -8.45558313292E-02      
  7      3.1300000E+00         -1.09404015085E-01      
  8      1.3940000E+00         -1.23953320428E-02      
P   1
  1      5.1790000E-01          1.0000000        
P   1
  1      2.0320000E-01          1.0000000        
P   1
  1      7.6980000E-02          1.0000000        
D   1
  1      1.0360000E+00          1.0000000        
D   1
  1      4.1300000E-01          1.0000000        
D   1
  1      1.6500000E-01          1.0000000        
F   1
  1      7.0300000E-01          1.0000000        
F   1
  1      2.8000000E-01          1.0000000        
G   1
  1      5.9700000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: S
data:
SULFUR
S   13
  1      7.2780000E+05          4.08375790099E-05      
  2      1.0900000E+05          2.33170253499E-04      
  3      2.4800000E+04          1.09628262548E-03      
  4      7.0140000E+03          4.36584099089E-03      
  5      2.2780000E+03          1.53176897073E-02      
  6      8.1470000E+02          4.75888181384E-02      
  7      3.1340000E+02          1.26894681641E-01      
  8      1.2770000E+02          2.69097656352E-01      
  9      5.4480000E+01          3.83236510572E-01      
 10      2.3850000E+01          2.62869666403E-01      
 11      9.4280000E+00          4.31263399757E-02      
 12      4.2900000E+00         -3.72505149431E-03      
 13      1.9090000E+00          2.14589767077E-03      
S   13
  1      7.2780000E+05         -1.13684718339E-05      
  2      1.0900000E+05         -6.49200576610E-05      
  3      2.4800000E+04         -3.05980549651E-04      
  4      7.0140000E+03         -1.21976358466E-03      
  5      2.2780000E+03         -4.32354139980E-03      
  6      8.1470000E+02         -1.36680237350E-02      
  7      3.1340000E+02         -3.84374814690E-02      
  8      1.2770000E+02         -9.07060279818E-02      
  9      5.4480000E+01         -1.67378684144E-01      
 10      2.3850000E+01         -1.66686918505E-01      
 11      9.4280000E+00          1.32854928536E-01      
 12      4.2900000E+00          5.65570360156E-01      
 13      1.9090000E+00          4.27110352571E-01      
S   13
  1      7.2780000E+05          3.30527473987E-06      
  2      1.0900000E+05          1.88557771060E-05      
  3      2.4800000E+04          8.90404678784E-05      
  4      7.0140000E+03          3.54149811034E-04      
  5      2.2780000E+03          1.26030858025E-03      
  6      8.1470000E+02          3.97544552053E-03      
  7      3.1340000E+02          1.12876453980E-02      
  8      1.2770000E+02          2.67407688710E-02      
  9      5.4480000E+01          5.10539511857E-02      
 10      2.3850000E+01          5.21150957473E-02      
 11      9.4280000E+00         -4.43600753094E-02      
 12      4.2900000E+00         -2.52839275420E-01      
 13      1.9090000E+00         -3.30158567192E-01      
S   1
  1      6.2700000E-01          1.0000000        
S   1
  1      2.8730000E-01          1.0000000        
S   1
  1      1.1720000E-01          1.0000000        
P   8
  1      1.5460000E+03          5.05576661704E-04      
  2      3.6640000E+02          3.92727232140E-03      
  3      1.1840000E+02          2.01969550474E-02      
  4      4.4530000E+01          7.47757845807E-02      
  5      1.8380000E+01          1.97846969107E-01      
  6      7.9650000E+00          3.51775230030E-01      
  7      3.5410000E+00          3.77958195252E-01      
  8      1.5910000E+00          1.70431689598E-01      
P   8
  1      1.5460000E+03         -1.29526826314E-04      
  2      3.6640000E+02         -9.97190974237E-04      
  3      1.1840000E+02         -5.22767532252E-03      
  4      4.4530000E+01         -1.94083373043E-02      
  5      1.8380000E+01         -5.37145044424E-02      
  6      7.9650000E+00         -9.59118011812E-02      
  7      3.5410000E+00         -1.17940126973E-01      
  8      1.5910000E+00          1.06147057993E-02      
P   1
  1      6.2050000E-01          1.0000000        
P   1
  1      2.4200000E-01          1.0000000        
P   1
  1      9.0140000E-02          1.0000000        
D   1
  1      1.2500000E+00          1.0000000        
D   1
  1      5.0400000E-01          1.0000000        
D   1
  1      2.0300000E-01          1.0000000        
F   1
  1      8.6900000E-01          1.0000000        
F   1
  1      3.3500000E-01          1.0000000        
G   1
  1      6.8300000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   13
  1      8.3490000E+05          4.24959607936E-05      
  2      1.2500000E+05          2.35832814582E-04      
  3      2.8430000E+04          1.09570763960E-03      
  4      8.0330000E+03          4.33838406723E-03      
  5      2.6080000E+03          1.51584238928E-02      
  6      9.3390000E+02          4.68706312655E-02      
  7      3.6000000E+02          1.24813645590E-01      
  8      1.4700000E+02          2.65155469993E-01      
  9      6.2880000E+01          3.81271602308E-01      
 10      2.7600000E+01          2.68079961287E-01      
 11      1.1080000E+01          4.64079151463E-02      
 12      5.0750000E+00         -3.64758912169E-03      
 13      2.2780000E+00          2.15134113405E-03      
S   13
  1      8.3490000E+05         -1.20154414356E-05      
  2      1.2500000E+05         -6.67116975335E-05      
  3      2.8430000E+04         -3.10644625238E-04      
  4      8.0330000E+03         -1.23173724151E-03      
  5      2.6080000E+03         -4.34567155129E-03      
  6      9.3390000E+02         -1.36793830215E-02      
  7      3.6000000E+02         -3.83729755162E-02      
  8      1.4700000E+02         -9.07057472207E-02      
  9      6.2880000E+01         -1.68005641127E-01      
 10      2.7600000E+01         -1.71790180598E-01      
 11      1.1080000E+01          1.20659445296E-01      
 12      5.0750000E+00          5.64589417475E-01      
 13      2.2780000E+00          4.36278791574E-01      
S   13
  1      8.3490000E+05          3.63815778142E-06      
  2      1.2500000E+05          2.01785042968E-05      
  3      2.8430000E+04          9.41518729217E-05      
  4      8.0330000E+03          3.72422779866E-04      
  5      2.6080000E+03          1.31951167126E-03      
  6      9.3390000E+02          4.14340121929E-03      
  7      3.6000000E+02          1.17416255928E-02      
  8      1.4700000E+02          2.78567211189E-02      
  9      6.2880000E+01          5.34575211882E-02      
 10      2.7600000E+01          5.60349804170E-02      
 11      1.1080000E+01         -4.16324942249E-02      
 12      5.0750000E+00         -2.66508946523E-01      
 13      2.2780000E+00         -3.45147141535E-01      
S   1
  1      7.7750000E-01          1.0000000        
S   1
  1      3.5270000E-01          1.0000000        
S   1
  1      1.4310000E-01          1.0000000        
P   8
  1      1.7030000E+03          5.50892031685E-04      
  2      4.0360000E+02          4.24633226198E-03      
  3      1.3030000E+02          2.17723045445E-02      
  4      4.9050000E+01          8.01508756797E-02      
  5      2.0260000E+01          2.09553983937E-01      
  6      8.7870000E+00          3.64851715645E-01      
  7      3.9190000E+00          3.70870655825E-01      
  8      1.7650000E+00          1.45746711120E-01      
P   8
  1      1.7030000E+03         -1.49022952706E-04      
  2      4.0360000E+02         -1.14318843042E-03      
  3      1.3030000E+02         -5.95477962997E-03      
  4      4.9050000E+01         -2.21209013034E-02      
  5      2.0260000E+01         -6.03004635421E-02      
  6      8.7870000E+00         -1.06841042789E-01      
  7      3.9190000E+00         -1.21999952042E-01      
  8      1.7650000E+00          3.90632158367E-02      
P   1
  1      7.2070000E-01          1.0000000        
P   1
  1      2.8390000E-01          1.0000000        
P   1
  1      1.0600000E-01          1.0000000        
D   1
  1      1.5510000E+00          1.0000000        
D   1
  1      6.2800000E-01          1.0000000        
D   1
  1      2.5400000E-01          1.0000000        
F   1
  1      1.0890000E+00          1.0000000        
F   1
  1      4.2300000E-01          1.0000000        
G   1
  1      8.2700000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Ar
data:
ARGON
S   13
  1      9.5060000E+05          4.42889615921E-05      
  2      1.4230000E+05          2.38926403937E-04      
  3      3.2360000E+04          1.09585893962E-03      
  4      9.1450000E+03          4.30322792559E-03      
  5      2.9700000E+03          1.49801177459E-02      
  6      1.0640000E+03          4.61616121513E-02      
  7      4.1080000E+02          1.22756728034E-01      
  8      1.6800000E+02          2.61499965620E-01      
  9      7.1990000E+01          3.79500367194E-01      
 10      3.1670000E+01          2.72831038170E-01      
 11      1.2890000E+01          4.96422382733E-02      
 12      5.9290000E+00         -3.52263421118E-03      
 13      2.6780000E+00          2.14225822990E-03      
S   13
  1      9.5060000E+05         -1.26948054739E-05      
  2      1.4230000E+05         -6.85384780807E-05      
  3      3.2360000E+04         -3.15010491140E-04      
  4      9.1450000E+03         -1.23921451923E-03      
  5      2.9700000E+03         -4.35386633276E-03      
  6      1.0640000E+03         -1.36637718021E-02      
  7      4.1080000E+02         -3.82325621946E-02      
  8      1.6800000E+02         -9.05986145959E-02      
  9      7.1990000E+01         -1.68455962657E-01      
 10      3.1670000E+01         -1.76317845783E-01      
 11      1.2890000E+01          1.09490201414E-01      
 12      5.9290000E+00          5.63935059641E-01      
 13      2.6780000E+00          4.44296725148E-01      
S   13
  1      9.5060000E+05          3.97079962439E-06      
  2      1.4230000E+05          2.14157124401E-05      
  3      3.2360000E+04          9.86341238658E-05      
  4      9.1450000E+03          3.87051922337E-04      
  5      2.9700000E+03          1.36584793127E-03      
  6      1.0640000E+03          4.27538331245E-03      
  7      4.1080000E+02          1.20894885432E-02      
  8      1.6800000E+02          2.87512484572E-02      
  9      7.1990000E+01          5.54392051398E-02      
 10      3.1670000E+01          5.95098738685E-02      
 11      1.2890000E+01         -3.87107843613E-02      
 12      5.9290000E+00         -2.77983961125E-01      
 13      2.6780000E+00         -3.57980825559E-01      
S   1
  1      9.4160000E-01          1.0000000        
S   1
  1      4.2390000E-01          1.0000000        
S   1
  1      1.7140000E-01          1.0000000        
P   8
  1      1.8900000E+03          5.85341723341E-04      
  2      4.4780000E+02          4.46504645382E-03      
  3      1.4460000E+02          2.28415642899E-02      
  4      5.4460000E+01          8.38999598665E-02      
  5      2.2510000E+01          2.17840932491E-01      
  6      9.7740000E+00          3.74369894043E-01      
  7      4.3680000E+00          3.65399296155E-01      
  8      1.9590000E+00          1.28641917326E-01      
P   8
  1      1.8900000E+03         -1.63971261493E-04      
  2      4.4780000E+02         -1.24915006911E-03      
  3      1.4460000E+02         -6.47335376411E-03      
  4      5.4460000E+01         -2.41231771687E-02      
  5      2.2510000E+01         -6.51250416839E-02      
  6      9.7740000E+00         -1.15340250303E-01      
  7      4.3680000E+00         -1.23033533968E-01      
  8      1.9590000E+00          6.57686976969E-02      
P   1
  1      8.2600000E-01          1.0000000        
P   1
  1      3.2970000E-01          1.0000000        
P   1
  1      1.2420000E-01          1.0000000        
D   1
  1      1.8730000E+00          1.0000000        
D   1
  1      7.6300000E-01          1.0000000        
D   1
  1      3.1100000E-01          1.0000000        
F   1
  1      1.3250000E+00          1.0000000        
F   1
  1      5.4300000E-01          1.0000000        
G   1
  1      1.0070000E+00          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   18
  1      1.1274496E+07          2.88684894498E-05      
  2      1.6880534E+06          1.00801733936E-04      
  3      3.8414083E+05          3.46292568070E-04      
  4      1.0880703E+05          1.10808384602E-03      
  5      3.5497691E+04          3.41226686839E-03      
  6      1.2815104E+04          9.93450193111E-03      
  7      4.9981087E+03          2.71314284237E-02      
  8      2.0728848E+03          6.80100449305E-02      
  9      9.0374582E+02          1.50358448875E-01      
 10      4.1044307E+02          2.71349396565E-01      
 11      1.9260636E+02          3.42698667067E-01      
 12      9.2049678E+01          2.28713293319E-01      
 13      4.2047811E+01          4.55610727131E-02      
 14      2.1069217E+01         -2.16036060712E-03      
 15      1.0447915E+01          1.67414415066E-03      
 16      4.7776580E+00         -7.75439281668E-04      
 17      2.2825660E+00          3.29612140022E-04      
 18      1.0353030E+00         -1.31595382588E-04      
S   18
  1      1.1274496E+07         -9.16447021355E-06      
  2      1.6880534E+06         -3.20845978150E-05      
  3      3.8414083E+05         -1.10562224040E-04      
  4      1.0880703E+05         -3.54641571553E-04      
  5      3.5497691E+04         -1.09683637662E-03      
  6      1.2815104E+04         -3.21020015461E-03      
  7      4.9981087E+03         -8.89695295027E-03      
  8      2.0728848E+03         -2.29276221539E-02      
  9      9.0374582E+02         -5.40951394119E-02      
 10      4.1044307E+02         -1.10741786064E-01      
 11      1.9260636E+02         -1.80595204541E-01      
 12      9.2049678E+01         -1.61977586322E-01      
 13      4.2047811E+01          1.32115141098E-01      
 14      2.1069217E+01          5.45423324530E-01      
 15      1.0447915E+01          4.28779227404E-01      
 16      4.7776580E+00          6.85653185468E-02      
 17      2.2825660E+00         -4.98034096604E-04      
 18      1.0353030E+00          1.47833680632E-03      
S   18
  1      1.1274496E+07          3.50873578301E-06      
  2      1.6880534E+06          1.22851097844E-05      
  3      3.8414083E+05          4.23690055300E-05      
  4      1.0880703E+05          1.35845948030E-04      
  5      3.5497691E+04          4.20814854423E-04      
  6      1.2815104E+04          1.23068722601E-03      
  7      4.9981087E+03          3.42340015957E-03      
  8      2.0728848E+03          8.83249834761E-03      
  9      9.0374582E+02          2.10744577840E-02      
 10      4.1044307E+02          4.36915904002E-02      
 11      1.9260636E+02          7.42150908779E-02      
 12      9.2049678E+01          6.95240720610E-02      
 13      4.2047811E+01         -6.54584596663E-02      
 14      2.1069217E+01         -3.67032293210E-01      
 15      1.0447915E+01         -4.08421235597E-01      
 16      4.7776580E+00          2.31631616698E-01      
 17      2.2825660E+00          7.14032071026E-01      
 18      1.0353030E+00          3.46225868035E-01      
S   18
  1      1.1274496E+07         -8.23054160703E-07      
  2      1.6880534E+06         -2.88061262156E-06      
  3      3.8414083E+05         -9.94345128135E-06      
  4      1.0880703E+05         -3.18396153943E-05      
  5      3.5497691E+04         -9.88315450827E-05      
  6      1.2815104E+04         -2.88294864743E-04      
  7      4.9981087E+03         -8.04896355631E-04      
  8      2.0728848E+03         -2.06866790746E-03      
  9      9.0374582E+02         -4.96829373183E-03      
 10      4.1044307E+02         -1.02495109136E-02      
 11      1.9260636E+02         -1.76718816920E-02      
 12      9.2049678E+01         -1.63271959372E-02      
 13      4.2047811E+01          1.52601737406E-02      
 14      2.1069217E+01          9.45701893651E-02      
 15      1.0447915E+01          1.05576355763E-01      
 16      4.7776580E+00         -6.84889380897E-02      
 17      2.2825660E+00         -2.68680627141E-01      
 18      1.0353030E+00         -2.42929140244E-01      
S   1
  1      2.5767400E-01          1.0000000        
S   1
  1      1.1917900E-01          1.0000000        
S   1
  1      5.1294000E-02          1.0000000        
P   13
  1      2.2059771E+04          1.54851233570E-04      
  2      5.2223129E+03          7.00881559277E-04      
  3      1.6960601E+03          3.37208226843E-03      
  4      6.4876573E+02          1.34198147879E-02      
  5      2.7510267E+02          4.49869742726E-02      
  6      1.2534634E+02          1.21704535279E-01      
  7      6.0054334E+01          2.50782597508E-01      
  8      2.9723768E+01          3.59025358563E-01      
  9      1.5039781E+01          2.90904897367E-01      
 10      7.5722730E+00          9.61087807499E-02      
 11      3.7386760E+00          8.49983231783E-03      
 12      1.7967880E+00          1.35466144076E-03      
 13      8.2991000E-01          7.99977616100E-05      
P   13
  1      2.2059771E+04         -5.89173151729E-05      
  2      5.2223129E+03         -2.67471131453E-04      
  3      1.6960601E+03         -1.28997308823E-03      
  4      6.4876573E+02         -5.17955664275E-03      
  5      2.7510267E+02         -1.76254924013E-02      
  6      1.2534634E+02         -4.92674675561E-02      
  7      6.0054334E+01         -1.05805158494E-01      
  8      2.9723768E+01         -1.60951363535E-01      
  9      1.5039781E+01         -1.10306318567E-01      
 10      7.5722730E+00          1.51596747323E-01      
 11      3.7386760E+00          4.29485742447E-01      
 12      1.7967880E+00          4.20076980040E-01      
 13      8.2991000E-01          1.55788410863E-01      
P   13
  1      2.2059771E+04          9.63186567183E-06      
  2      5.2223129E+03          4.34465629193E-05      
  3      1.6960601E+03          2.11569252134E-04      
  4      6.4876573E+02          8.41371549170E-04      
  5      2.7510267E+02          2.90027438137E-03      
  6      1.2534634E+02          8.03154577837E-03      
  7      6.0054334E+01          1.75960134391E-02      
  8      2.9723768E+01          2.63344309771E-02      
  9      1.5039781E+01          1.86577506587E-02      
 10      7.5722730E+00         -3.24087345808E-02      
 11      3.7386760E+00         -8.03164044041E-02      
 12      1.7967880E+00         -9.96452058322E-02      
 13      8.2991000E-01         -6.98673993736E-03      
P   1
  1      2.7287400E-01          1.0000000        
P   1
  1      1.0154000E-01          1.0000000        
P   1
  1      3.7658000E-02          1.0000000        
D   9
  1      7.6643696E+02          1.94138472306E-04      
  2      2.3100425E+02          1.71738211644E-03      
  3      8.9781238E+01          9.39413155313E-03      
  4      3.9546681E+01          3.48425886824E-02      
  5      1.8607583E+01          9.58439383827E-02      
  6      9.1512870E+00          1.94427148986E-01      
  7      4.5650050E+00          2.82184352402E-01      
  8      2.2530660E+00          3.07803611495E-01      
  9      1.0867230E+00          2.52677373424E-01      
D   1
  1      5.0330400E-01          1.0000000        
D   1
  1      2.1228300E-01          1.0000000        
D   1
  1      8.2800000E-02          1.0000000        
F   1
  1      4.7100000E-01          1.0000000        
F   1
  1      1.8100000E-01          1.0000000        
G   1
  1      4.0320000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   18
  1      1.2360507E+07          3.00497359008E-05      
  2      1.8506978E+06          1.03253758801E-04      
  3      4.2113142E+05          3.49538970982E-04      
  4      1.1927826E+05          1.10368714806E-03      
  5      3.8912277E+04          3.36623077309E-03      
  6      1.4048682E+04          9.73216802598E-03      
  7      5.4806992E+03          2.64581963916E-02      
  8      2.2742055E+03          6.61657312995E-02      
  9      9.9224129E+02          1.46436802886E-01      
 10      4.5099966E+02          2.66021823100E-01      
 11      2.1182024E+02          3.41751477674E-01      
 12      1.0141102E+02          2.35978767570E-01      
 13      4.6914090E+01          5.06096817948E-02      
 14      2.3508950E+01         -1.72604329878E-03      
 15      1.1681311E+01          1.68112869145E-03      
 16      5.4345260E+00         -7.90961362306E-04      
 17      2.6088080E+00          3.39524620829E-04      
 18      1.1984420E+00         -1.43151194156E-04      
S   18
  1      1.2360507E+07         -9.58621687258E-06      
  2      1.8506978E+06         -3.30304839031E-05      
  3      4.2113142E+05         -1.12164534145E-04      
  4      1.1927826E+05         -3.55145618646E-04      
  5      3.8912277E+04         -1.08776191246E-03      
  6      1.4048682E+04         -3.16244391623E-03      
  7      5.4806992E+03         -8.71904531447E-03      
  8      2.2742055E+03         -2.24111631231E-02      
  9      9.9224129E+02         -5.28071284541E-02      
 10      4.5099966E+02         -1.08526579125E-01      
 11      2.1182024E+02         -1.78498637404E-01      
 12      1.0141102E+02         -1.67170326560E-01      
 13      4.6914090E+01          1.09905777957E-01      
 14      2.3508950E+01          5.32784985303E-01      
 15      1.1681311E+01          4.48990788978E-01      
 16      5.4345260E+00          8.01480838499E-02      
 17      2.6088080E+00         -2.83665927798E-06      
 18      1.1984420E+00          1.58683388178E-03      
S   18
  1      1.2360507E+07          3.70847885735E-06      
  2      1.8506978E+06          1.27801458458E-05      
  3      4.2113142E+05          4.34302734510E-05      
  4      1.1927826E+05          1.37484112812E-04      
  5      3.8912277E+04          4.21659941157E-04      
  6      1.4048682E+04          1.22539805906E-03      
  7      5.4806992E+03          3.38937265603E-03      
  8      2.2742055E+03          8.72661865224E-03      
  9      9.9224129E+02          2.07768064677E-02      
 10      4.5099966E+02          4.32687613394E-02      
 11      2.1182024E+02          7.39773736443E-02      
 12      1.0141102E+02          7.25456657856E-02      
 13      4.6914090E+01         -5.50595711375E-02      
 14      2.3508950E+01         -3.55772983336E-01      
 15      1.1681311E+01         -4.29418984252E-01      
 16      5.4345260E+00          1.84348547211E-01      
 17      2.6088080E+00          7.19331081070E-01      
 18      1.1984420E+00          3.78695993015E-01      
S   18
  1      1.2360507E+07         -9.58353286701E-07      
  2      1.8506978E+06         -3.30144590821E-06      
  3      4.2113142E+05         -1.12287051352E-05      
  4      1.1927826E+05         -3.55015742682E-05      
  5      3.8912277E+04         -1.09097442184E-04      
  6      1.4048682E+04         -3.16262929628E-04      
  7      5.4806992E+03         -8.77916277498E-04      
  8      2.2742055E+03         -2.25188110892E-03      
  9      9.9224129E+02         -5.39628401416E-03      
 10      4.5099966E+02         -1.11844330837E-02      
 11      2.1182024E+02         -1.94086418721E-02      
 12      1.0141102E+02         -1.87908731177E-02      
 13      4.6914090E+01          1.40479793586E-02      
 14      2.3508950E+01          1.01096668490E-01      
 15      1.1681311E+01          1.22948893225E-01      
 16      5.4345260E+00         -5.96799289763E-02      
 17      2.6088080E+00         -2.99539501914E-01      
 18      1.1984420E+00         -2.87485155678E-01      
S   1
  1      3.2980800E-01          1.0000000        
S   1
  1      1.5543300E-01          1.0000000        
S   1
  1      6.6913000E-02          1.0000000        
P   13
  1      2.4017466E+04          1.59011781965E-04      
  2      5.6857175E+03          6.98307952632E-04      
  3      1.8464859E+03          3.32345516437E-03      
  4      7.0624981E+02          1.31629244754E-02      
  5      2.9945610E+02          4.41439671496E-02      
  6      1.3643904E+02          1.19800908050E-01      
  7      6.5390155E+01          2.48261752362E-01      
  8      3.2393735E+01          3.57989088613E-01      
  9      1.6415616E+01          2.93374911142E-01      
 10      8.2877870E+00          9.91435643420E-02      
 11      4.1126340E+00          9.09715128580E-03      
 12      1.9988540E+00          1.38933897851E-03      
 13      9.4429100E-01          4.02343152721E-05      
P   13
  1      2.4017466E+04         -6.14222364084E-05      
  2      5.6857175E+03         -2.70577773837E-04      
  3      1.8464859E+03         -1.29086697379E-03      
  4      7.0624981E+02         -5.15851753424E-03      
  5      2.9945610E+02         -1.75586419685E-02      
  6      1.3643904E+02         -4.92355005820E-02      
  7      6.5390155E+01         -1.06363233108E-01      
  8      3.2393735E+01         -1.62994614982E-01      
  9      1.6415616E+01         -1.13725301184E-01      
 10      8.2877870E+00          1.48221698468E-01      
 11      4.1126340E+00          4.29814381679E-01      
 12      1.9988540E+00          4.21233671779E-01      
 13      9.4429100E-01          1.53943906607E-01      
P   13
  1      2.4017466E+04          1.20348925522E-05      
  2      5.6857175E+03          5.27399176590E-05      
  3      1.8464859E+03          2.53672870969E-04      
  4      7.0624981E+02          1.00572152846E-03      
  5      2.9945610E+02          3.46207580109E-03      
  6      1.3643904E+02          9.63868341824E-03      
  7      6.5390155E+01          2.11984891450E-02      
  8      3.2393735E+01          3.20978455372E-02      
  9      1.6415616E+01          2.28985890597E-02      
 10      8.2877870E+00         -3.83967028561E-02      
 11      4.1126340E+00         -9.83060053036E-02      
 12      1.9988540E+00         -1.22495626725E-01      
 13      9.4429100E-01         -4.59136530112E-03      
P   1
  1      3.4121100E-01          1.0000000        
P   1
  1      1.3435000E-01          1.0000000        
P   1
  1      5.1735000E-02          1.0000000        
D   9
  1      8.6467411E+02          1.85479874830E-04      
  2      2.6103763E+02          1.63059221244E-03      
  3      1.0177030E+02          8.92181928279E-03      
  4      4.5116641E+01          3.31921655754E-02      
  5      2.1430686E+01          9.15419555336E-02      
  6      1.0659861E+01          1.88152369077E-01      
  7      5.3922870E+00          2.79184703217E-01      
  8      2.7044970E+00          3.11231031447E-01      
  9      1.3285440E+00          2.56145186403E-01      
D   1
  1      6.2645200E-01          1.0000000        
D   1
  1      2.6601300E-01          1.0000000        
D   1
  1      1.0630000E-01          1.0000000        
F   1
  1      5.4920000E-01          1.0000000        
F   1
  1      2.1900000E-01          1.0000000        
G   1
  1      4.6810000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: As
data:
ARSENIC
S   18
  1      1.3600341E+07          3.11213148665E-05      
  2      2.0365073E+06          1.05260214223E-04      
  3      4.6343278E+05          3.51099116197E-04      
  4      1.3125994E+05          1.09355979799E-03      
  5      4.2819192E+04          3.30240020666E-03      
  6      1.5457019E+04          9.48280164363E-03      
  7      6.0284583E+03          2.56854203862E-02      
  8      2.5005599E+03          6.41724221426E-02      
  9      1.0906149E+03          1.42384662287E-01      
 10      4.9562154E+02          2.60626920600E-01      
 11      2.3281669E+02          3.40641478822E-01      
 12      1.1163118E+02          2.43259104963E-01      
 13      5.2269950E+01          5.61774585124E-02      
 14      2.6149878E+01         -1.11557858943E-03      
 15      1.3018757E+01          1.65078699057E-03      
 16      6.1554320E+00         -7.85950516828E-04      
 17      2.9591270E+00          3.37114067884E-04      
 18      1.3738740E+00         -1.49823692470E-04      
S   18
  1      1.3600341E+07         -9.97504610947E-06      
  2      2.0365073E+06         -3.38355715089E-05      
  3      4.6343278E+05         -1.13215692338E-04      
  4      1.3125994E+05         -3.53721153197E-04      
  5      4.2819192E+04         -1.07258772076E-03      
  6      1.5457019E+04         -3.09803223049E-03      
  7      6.0284583E+03         -8.50425071588E-03      
  8      2.5005599E+03         -2.18316080628E-02      
  9      1.0906149E+03         -5.14457411518E-02      
 10      4.9562154E+02         -1.06234110142E-01      
 11      2.3281669E+02         -1.76266292560E-01      
 12      1.1163118E+02         -1.71957904640E-01      
 13      5.2269950E+01          8.85497367158E-02      
 14      2.6149878E+01          5.18943201196E-01      
 15      1.3018757E+01          4.67541873263E-01      
 16      6.1554320E+00          9.27319627179E-02      
 17      2.9591270E+00          7.94060888199E-04      
 18      1.3738740E+00          1.64037246464E-03      
S   18
  1      1.3600341E+07          3.89933510923E-06      
  2      2.0365073E+06          1.32297388891E-05      
  3      4.6343278E+05          4.42957775255E-05      
  4      1.3125994E+05          1.38392397819E-04      
  5      4.2819192E+04          4.20112579176E-04      
  6      1.5457019E+04          1.21337062425E-03      
  7      6.0284583E+03          3.33996926615E-03      
  8      2.5005599E+03          8.59273187844E-03      
  9      1.0906149E+03          2.04424595746E-02      
 10      4.9562154E+02          4.27998395210E-02      
 11      2.3281669E+02          7.36726101444E-02      
 12      1.1163118E+02          7.54232499692E-02      
 13      5.2269950E+01         -4.49830034907E-02      
 14      2.6149878E+01         -3.44236424268E-01      
 15      1.3018757E+01         -4.48178438847E-01      
 16      6.1554320E+00          1.39644926598E-01      
 17      2.9591270E+00          7.22928585641E-01      
 18      1.3738740E+00          4.08144339356E-01      
S   18
  1      1.3600341E+07         -1.08267766680E-06      
  2      2.0365073E+06         -3.67205215207E-06      
  3      4.6343278E+05         -1.23047789307E-05      
  4      1.3125994E+05         -3.83980297574E-05      
  5      4.2819192E+04         -1.16785885044E-04      
  6      1.5457019E+04         -3.36493241023E-04      
  7      6.0284583E+03         -9.29496226266E-04      
  8      2.5005599E+03         -2.38262812471E-03      
  9      1.0906149E+03         -5.70457167318E-03      
 10      4.9562154E+02         -1.18890637719E-02      
 11      2.3281669E+02         -2.07679262354E-02      
 12      1.1163118E+02         -2.10138552885E-02      
 13      5.2269950E+01          1.22197025627E-02      
 14      2.6149878E+01          1.05174182959E-01      
 15      1.3018757E+01          1.38500959119E-01      
 16      6.1554320E+00         -4.80670510839E-02      
 17      2.9591270E+00         -3.24834797567E-01      
 18      1.3738740E+00         -3.27590851506E-01      
S   1
  1      4.0885000E-01          1.0000000        
S   1
  1      1.9451100E-01          1.0000000        
S   1
  1      8.3641000E-02          1.0000000        
P   13
  1      2.5570418E+04          1.67090747919E-04      
  2      6.0529237E+03          7.17287275605E-04      
  3      1.9657002E+03          3.38228375203E-03      
  4      7.5177229E+02          1.33289709076E-02      
  5      3.1868140E+02          4.46405807092E-02      
  6      1.4514749E+02          1.21049418845E-01      
  7      6.9541162E+01          2.50480919840E-01      
  8      3.4451376E+01          3.59230373979E-01      
  9      1.7460610E+01          2.90813167191E-01      
 10      8.8086090E+00          9.64388757714E-02      
 11      4.3786460E+00          8.47311678169E-03      
 12      2.1444050E+00          1.39754665506E-03      
 13      1.0293500E+00         -3.68514347945E-05      
P   13
  1      2.5570418E+04         -6.55123381829E-05      
  2      6.0529237E+03         -2.82168019860E-04      
  3      1.9657002E+03         -1.33363543126E-03      
  4      7.5177229E+02         -5.30454610403E-03      
  5      3.1868140E+02         -1.80317488730E-02      
  6      1.4514749E+02         -5.05534784728E-02      
  7      6.9541162E+01         -1.09093171682E-01      
  8      3.4451376E+01         -1.66409766004E-01      
  9      1.7460610E+01         -1.11990788369E-01      
 10      8.8086090E+00          1.58169391314E-01      
 11      4.3786460E+00          4.39339666121E-01      
 12      2.1444050E+00          4.14582258323E-01      
 13      1.0293500E+00          1.39612922844E-01      
P   13
  1      2.5570418E+04          1.44801308762E-05      
  2      6.0529237E+03          6.21352075258E-05      
  3      1.9657002E+03          2.95495566739E-04      
  4      7.5177229E+02          1.16874962399E-03      
  5      3.1868140E+02          4.00887292927E-03      
  6      1.4514749E+02          1.11919376670E-02      
  7      6.9541162E+01          2.45179949560E-02      
  8      3.4451376E+01          3.71558238736E-02      
  9      1.7460610E+01          2.51033169482E-02      
 10      8.8086090E+00         -4.60709317494E-02      
 11      4.3786460E+00         -1.16185747902E-01      
 12      2.1444050E+00         -1.39524538957E-01      
 13      1.0293500E+00          8.46527521578E-03      
P   1
  1      4.0463600E-01          1.0000000        
P   1
  1      1.6562200E-01          1.0000000        
P   1
  1      6.5610000E-02          1.0000000        
D   9
  1      9.9697960E+02          1.67648110864E-04      
  2      3.0098518E+02          1.47185018236E-03      
  3      1.1723473E+02          8.16603682659E-03      
  4      5.1956904E+01          3.10704629625E-02      
  5      2.4689440E+01          8.75284066285E-02      
  6      1.2295171E+01          1.84257599373E-01      
  7      6.2446520E+00          2.79431004002E-01      
  8      3.1554600E+00          3.15742082885E-01      
  9      1.5680490E+00          2.57882623099E-01      
D   1
  1      7.4864700E-01          1.0000000        
D   1
  1      3.1912500E-01          1.0000000        
D   1
  1      1.3000000E-01          1.0000000        
F   1
  1      6.4400000E-01          1.0000000        
F   1
  1      2.6400000E-01          1.0000000        
G   1
  1      5.4650000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Se
data:
SELENIUM
S   18
  1      1.5011000E+07          3.20901642330E-05      
  2      2.2475000E+06          1.06905568819E-04      
  3      5.1145000E+05          3.51349847282E-04      
  4      1.4487000E+05          1.07916139876E-03      
  5      4.7261000E+04          3.22482520187E-03      
  6      1.7062000E+04          9.19037173411E-03      
  7      6.6545000E+03          2.47870611713E-02      
  8      2.7598000E+03          6.18689775348E-02      
  9      1.2032000E+03          1.37730916097E-01      
 10      5.4653000E+02          2.54448365173E-01      
 11      2.5663000E+02          3.39309164109E-01      
 12      1.2314000E+02          2.51470905732E-01      
 13      5.8263000E+01          6.27571733698E-02      
 14      2.9023000E+01         -3.24238718386E-04      
 15      1.4465000E+01          1.59679440962E-03      
 16      6.9348000E+00         -7.68653881814E-04      
 17      3.3299000E+00          3.27875671452E-04      
 18      1.5600000E+00         -1.53168983035E-04      
S   18
  1      1.5011000E+07         -1.03327551223E-05      
  2      2.2475000E+06         -3.45255798624E-05      
  3      5.1145000E+05         -1.13831487486E-04      
  4      1.4487000E+05         -3.50824499780E-04      
  5      4.7261000E+04         -1.05257044129E-03      
  6      1.7062000E+04         -3.01816988398E-03      
  7      6.6545000E+03         -8.24366535853E-03      
  8      2.7598000E+03         -2.11335215740E-02      
  9      1.2032000E+03         -4.98312148545E-02      
 10      5.4653000E+02         -1.03515152116E-01      
 11      2.5663000E+02         -1.73645792148E-01      
 12      1.2314000E+02         -1.76844435144E-01      
 13      5.8263000E+01          6.71671689405E-02      
 14      2.9023000E+01          5.04271571207E-01      
 15      1.4465000E+01          4.84838898938E-01      
 16      6.9348000E+00          1.06109157212E-01      
 17      3.3299000E+00          1.85551720839E-03      
 18      1.5600000E+00          1.63861031834E-03      
S   18
  1      1.5011000E+07          4.08071576514E-06      
  2      2.2475000E+06          1.36392020130E-05      
  3      5.1145000E+05          4.49942015492E-05      
  4      1.4487000E+05          1.38693366967E-04      
  5      4.7261000E+04          4.16497263648E-04      
  6      1.7062000E+04          1.19456413169E-03      
  7      6.6545000E+03          3.27044831903E-03      
  8      2.7598000E+03          8.40563669213E-03      
  9      1.2032000E+03          1.99934318707E-02      
 10      5.4653000E+02          4.21260413519E-02      
 11      2.5663000E+02          7.31648655949E-02      
 12      1.2314000E+02          7.83295377034E-02      
 13      5.8263000E+01         -3.47483241243E-02      
 14      2.9023000E+01         -3.32464085281E-01      
 15      1.4465000E+01         -4.64955863794E-01      
 16      6.9348000E+00          9.80360183273E-02      
 17      3.3299000E+00          7.24982831820E-01      
 18      1.5600000E+00          4.34258060410E-01      
S   18
  1      1.5011000E+07         -1.19862183680E-06      
  2      2.2475000E+06         -4.00484875242E-06      
  3      5.1145000E+05         -1.32223279707E-05      
  4      1.4487000E+05         -4.07094129143E-05      
  5      4.7261000E+04         -1.22486093316E-04      
  6      1.7062000E+04         -3.50453815122E-04      
  7      6.6545000E+03         -9.62888351636E-04      
  8      2.7598000E+03         -2.46563064393E-03      
  9      1.2032000E+03         -5.90276729050E-03      
 10      5.4653000E+02         -1.23791332780E-02      
 11      2.5663000E+02         -2.18222788661E-02      
 12      1.2314000E+02         -2.30982891545E-02      
 13      5.8263000E+01          9.81085590664E-03      
 14      2.9023000E+01          1.07562766504E-01      
 15      1.4465000E+01          1.52445087533E-01      
 16      6.9348000E+00         -3.47679905598E-02      
 17      3.3299000E+00         -3.46643796526E-01      
 18      1.5600000E+00         -3.63177297507E-01      
S   1
  1      4.9291000E-01          1.0000000        
S   1
  1      2.3525000E-01          1.0000000        
S   1
  1      1.0037000E-01          1.0000000        
P   13
  1      2.5217000E+04          1.90843622165E-04      
  2      5.9699000E+03          8.21524837473E-04      
  3      1.9389000E+03          3.86408025218E-03      
  4      7.4166000E+02          1.51357904147E-02      
  5      3.1450000E+02          5.01774826939E-02      
  6      1.4331000E+02          1.33544614338E-01      
  7      6.8650000E+01          2.68262537054E-01      
  8      3.3995000E+01          3.65343715084E-01      
  9      1.7185000E+01          2.69550271460E-01      
 10      8.5740000E+00          7.66615021446E-02      
 11      4.2206000E+00          4.93604649064E-03      
 12      2.0521000E+00          1.28436876899E-03      
 13      9.6156000E-01         -1.90617340170E-04      
P   13
  1      2.5217000E+04         -7.59130064591E-05      
  2      5.9699000E+03         -3.28021205733E-04      
  3      1.9389000E+03         -1.54637353649E-03      
  4      7.4166000E+02         -6.12048547022E-03      
  5      3.1450000E+02         -2.06146311822E-02      
  6      1.4331000E+02         -5.68732375762E-02      
  7      6.8650000E+01         -1.19308090226E-01      
  8      3.3995000E+01         -1.73000018495E-01      
  9      1.7185000E+01         -8.95250674068E-02      
 10      8.5740000E+00          2.13088581403E-01      
 11      4.2206000E+00          4.74406667769E-01      
 12      2.0521000E+00          3.76717608940E-01      
 13      9.6156000E-01          8.89735929467E-02      
P   13
  1      2.5217000E+04          1.83164878676E-05      
  2      5.9699000E+03          7.90836433144E-05      
  3      1.9389000E+03          3.73591374098E-04      
  4      7.4166000E+02          1.47752803851E-03      
  5      3.1450000E+02          4.99732029090E-03      
  6      1.4331000E+02          1.38136975374E-02      
  7      6.8650000E+01          2.92314390170E-02      
  8      3.3995000E+01          4.25798613032E-02      
  9      1.7185000E+01          2.05667076109E-02      
 10      8.5740000E+00         -6.54480585700E-02      
 11      4.2206000E+00         -1.44009784477E-01      
 12      2.0521000E+00         -1.41539790491E-01      
 13      9.6156000E-01          6.93330417186E-02      
P   1
  1      4.2151000E-01          1.0000000        
P   1
  1      1.7626000E-01          1.0000000        
P   1
  1      7.0663000E-02          1.0000000        
D   9
  1      1.1434000E+03          1.51891560063E-04      
  2      3.4533000E+02          1.32808119919E-03      
  3      1.3446000E+02          7.45072779572E-03      
  4      5.9567000E+01          2.89813879166E-02      
  5      2.8283000E+01          8.36549410320E-02      
  6      1.4061000E+01          1.81061024714E-01      
  7      7.1390000E+00          2.81165366522E-01      
  8      3.6148000E+00          3.21388955630E-01      
  9      1.8072000E+00          2.58903136253E-01      
D   1
  1      8.6944000E-01          1.0000000        
D   1
  1      3.7036000E-01          1.0000000        
D   1
  1      1.5300000E-01          1.0000000        
F   1
  1      7.0970000E-01          1.0000000        
F   1
  1      2.8400000E-01          1.0000000        
G   1
  1      5.7300000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Br
data:
BROMINE
S   18
  1      1.6475000E+07          3.31768267182E-05      
  2      2.4666000E+06          1.08975897262E-04      
  3      5.6131000E+05          3.53228687603E-04      
  4      1.5899000E+05          1.07037597929E-03      
  5      5.1869000E+04          3.16573960867E-03      
  6      1.8726000E+04          8.95359861934E-03      
  7      7.3036000E+03          2.40390243349E-02      
  8      3.0291000E+03          5.98781920228E-02      
  9      1.3208000E+03          1.33538359121E-01      
 10      6.0003000E+02          2.48502028276E-01      
 11      2.8190000E+02          3.37089510990E-01      
 12      1.3554000E+02          2.58616348826E-01      
 13      6.4870000E+01          6.97883569784E-02      
 14      3.2129000E+01          7.92843503159E-04      
 15      1.6037000E+01          1.45050974996E-03      
 16      7.7849000E+00         -7.01608459540E-04      
 17      3.7247000E+00          2.92424861759E-04      
 18      1.7583000E+00         -1.45016929681E-04      
S   18
  1      1.6475000E+07         -1.07303796938E-05      
  2      2.4666000E+06         -3.53548547570E-05      
  3      5.6131000E+05         -1.14966171972E-04      
  4      1.5899000E+05         -3.49679817775E-04      
  5      5.1869000E+04         -1.03827948219E-03      
  6      1.8726000E+04         -2.95554215648E-03      
  7      7.3036000E+03         -8.03066471328E-03      
  8      3.0291000E+03         -2.05391801617E-02      
  9      1.3208000E+03         -4.83949322917E-02      
 10      6.0003000E+02         -1.00970496104E-01      
 11      2.8190000E+02         -1.70775453776E-01      
 12      1.3554000E+02         -1.80668610840E-01      
 13      6.4870000E+01          4.68830703116E-02      
 14      3.2129000E+01          4.87912584867E-01      
 15      1.6037000E+01          5.00553608320E-01      
 16      7.7849000E+00          1.20684825709E-01      
 17      3.7247000E+00          3.19709392879E-03      
 18      1.7583000E+00          1.59286456096E-03      
S   18
  1      1.6475000E+07          4.27993831892E-06      
  2      2.4666000E+06          1.41066541243E-05      
  3      5.6131000E+05          4.58944838929E-05      
  4      1.5899000E+05          1.39639315199E-04      
  5      5.1869000E+04          4.14917419386E-04      
  6      1.8726000E+04          1.18173968569E-03      
  7      7.3036000E+03          3.21721968087E-03      
  8      3.0291000E+03          8.25289088459E-03      
  9      1.3208000E+03          1.96003927370E-02      
 10      6.0003000E+02          4.14960403458E-02      
 11      2.8190000E+02          7.25222446448E-02      
 12      1.3554000E+02          8.07739347974E-02      
 13      6.4870000E+01         -2.49772694121E-02      
 14      3.2129000E+01         -3.19847474293E-01      
 15      1.6037000E+01         -4.79452358667E-01      
 16      7.7849000E+00          5.77317336349E-02      
 17      3.7247000E+00          7.25494716050E-01      
 18      1.7583000E+00          4.58379699085E-01      
S   18
  1      1.6475000E+07         -1.31579989619E-06      
  2      2.4666000E+06         -4.33543748254E-06      
  3      5.6131000E+05         -1.41162095052E-05      
  4      1.5899000E+05         -4.29008316760E-05      
  5      5.1869000E+04         -1.27716674402E-04      
  6      1.8726000E+04         -3.62880814062E-04      
  7      7.3036000E+03         -9.91445683197E-04      
  8      3.0291000E+03         -2.53386376519E-03      
  9      1.3208000E+03         -6.05707805449E-03      
 10      6.0003000E+02         -1.27635359489E-02      
 11      2.8190000E+02         -2.26420410369E-02      
 12      1.3554000E+02         -2.49436978158E-02      
 13      6.4870000E+01          7.16934120325E-03      
 14      3.2129000E+01          1.08367238715E-01      
 15      1.6037000E+01          1.64962408557E-01      
 16      7.7849000E+00         -2.02417967929E-02      
 17      3.7247000E+00         -3.64745090740E-01      
 18      1.7583000E+00         -3.96335657619E-01      
S   1
  1      5.8331000E-01          1.0000000        
S   1
  1      2.7856000E-01          1.0000000        
S   1
  1      1.1829000E-01          1.0000000        
P   13
  1      2.6607000E+04          2.01321831381E-04      
  2      6.2982000E+03          8.49888725337E-04      
  3      2.0452000E+03          3.96458757917E-03      
  4      7.8216000E+02          1.54523157460E-02      
  5      3.3163000E+02          5.10982777190E-02      
  6      1.5111000E+02          1.35600814847E-01      
  7      7.2392000E+01          2.71253224661E-01      
  8      3.5862000E+01          3.66087438386E-01      
  9      1.8134000E+01          2.65531660137E-01      
 10      9.0430000E+00          7.36162363124E-02      
 11      4.4500000E+00          4.47942030320E-03      
 12      2.1661000E+00          1.20829260676E-03      
 13      9.9628000E-01         -2.21362055965E-04      
P   13
  1      2.6607000E+04         -8.11961555095E-05      
  2      6.2982000E+03         -3.44087474719E-04      
  3      2.0452000E+03         -1.60910173943E-03      
  4      7.8216000E+02         -6.33761351438E-03      
  5      3.3163000E+02         -2.13018140468E-02      
  6      1.5111000E+02         -5.86207929484E-02      
  7      7.2392000E+01         -1.22574775526E-01      
  8      3.5862000E+01         -1.76015203731E-01      
  9      1.8134000E+01         -8.54310626209E-02      
 10      9.0430000E+00          2.26434347232E-01      
 11      4.4500000E+00          4.85921616565E-01      
 12      2.1661000E+00          3.65016092225E-01      
 13      9.9628000E-01          7.48149544742E-02      
P   13
  1      2.6607000E+04          2.09747931680E-05      
  2      6.2982000E+03          8.89381231811E-05      
  3      2.0452000E+03          4.15980807196E-04      
  4      7.8216000E+02          1.64086889328E-03      
  5      3.3163000E+02          5.52572895472E-03      
  6      1.5111000E+02          1.52815322683E-02      
  7      7.2392000E+01          3.21349169504E-02      
  8      3.5862000E+01          4.66288771057E-02      
  9      1.8134000E+01          2.02942763927E-02      
 10      9.0430000E+00         -7.41920966223E-02      
 11      4.4500000E+00         -1.63052803118E-01      
 12      2.1661000E+00         -1.45416461795E-01      
 13      9.9628000E-01          1.11809036398E-01      
P   1
  1      4.5443000E-01          1.0000000        
P   1
  1      1.9404000E-01          1.0000000        
P   1
  1      7.8997000E-02          1.0000000        
D   9
  1      1.2896000E+03          1.41361870084E-04      
  2      3.8975000E+02          1.22894709835E-03      
  3      1.5176000E+02          6.94297733817E-03      
  4      6.7223000E+01          2.74662801310E-02      
  5      3.1913000E+01          8.07610281182E-02      
  6      1.5857000E+01          1.78542177781E-01      
  7      8.0545000E+00          2.82543617175E-01      
  8      4.0887000E+00          3.25953875215E-01      
  9      2.0556000E+00          2.59222766872E-01      
D   1
  1      9.9509000E-01          1.0000000        
D   1
  1      4.2313000E-01          1.0000000        
D   1
  1      1.7790000E-01          1.0000000        
F   1
  1      8.2570000E-01          1.0000000        
F   1
  1      3.4070000E-01          1.0000000        
G   1
  1      6.4910000E-01          1.0000000        


name: cc-pVQZ(pt/sf/lc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   18
  1      1.8226108E+07          3.40258568960E-05      
  2      2.7288025E+06          1.10195184987E-04      
  3      6.2099771E+05          3.52158002025E-04      
  4      1.7589958E+05          1.05219876958E-03      
  5      5.7387497E+04          3.07808364619E-03      
  6      2.0717181E+04          8.63724231232E-03      
  7      8.0788899E+03          2.30840871405E-02      
  8      3.3495170E+03          5.74380936440E-02      
  9      1.4597812E+03          1.28510835596E-01      
 10      6.6289391E+02          2.41403117434E-01      
 11      3.1139215E+02          3.34350437585E-01      
 12      1.4993751E+02          2.66931454672E-01      
 13      7.2498249E+01          7.86052043816E-02      
 14      3.5569354E+01          2.27943420779E-03      
 15      1.7766633E+01          1.24613162677E-03      
 16      8.7123830E+00         -6.07230431413E-04      
 17      4.1449710E+00          2.44655390248E-04      
 18      1.9696490E+00         -1.30776686028E-04      
S   18
  1      1.8226108E+07         -1.10528128543E-05      
  2      2.7288025E+06         -3.59090136689E-05      
  3      6.2099771E+05         -1.15127079024E-04      
  4      1.7589958E+05         -3.45383525364E-04      
  5      5.7387497E+04         -1.01423134700E-03      
  6      2.0717181E+04         -2.86535306649E-03      
  7      8.0788899E+03         -7.74390876137E-03      
  8      3.3495170E+03         -1.97772223638E-02      
  9      1.4597812E+03         -4.66114287619E-02      
 10      6.6289391E+02         -9.78312994486E-02      
 11      3.1139215E+02         -1.67249600259E-01      
 12      1.4993751E+02         -1.84587714624E-01      
 13      7.2498249E+01          2.54128672857E-02      
 14      3.5569354E+01          4.69639562503E-01      
 15      1.7766633E+01          5.15847590728E-01      
 16      8.7123830E+00          1.36812060487E-01      
 17      4.1449710E+00          4.80048340796E-03      
 18      1.9696490E+00          1.51367169158E-03      
S   18
  1      1.8226108E+07          4.45066607928E-06      
  2      2.7288025E+06          1.44652403874E-05      
  3      6.2099771E+05          4.63971957748E-05      
  4      1.7589958E+05          1.39261401021E-04      
  5      5.7387497E+04          4.09162151150E-04      
  6      2.0717181E+04          1.15691848232E-03      
  7      8.0788899E+03          3.13147399860E-03      
  8      3.3495170E+03          8.02451184567E-03      
  9      1.4597812E+03          1.90466124632E-02      
 10      6.6289391E+02          4.05781775341E-02      
 11      3.1139215E+02          7.15271628054E-02      
 12      1.4993751E+02          8.32078252613E-02      
 13      7.2498249E+01         -1.45051783381E-02      
 14      3.5569354E+01         -3.05853966400E-01      
 15      1.7766633E+01         -4.92431060842E-01      
 16      8.7123830E+00          1.78358881448E-02      
 17      4.1449710E+00          7.24323799849E-01      
 18      1.9696490E+00          4.81110993625E-01      
S   18
  1      1.8226108E+07         -1.42128485027E-06      
  2      2.7288025E+06         -4.61734004010E-06      
  3      6.2099771E+05         -1.48227353710E-05      
  4      1.7589958E+05         -4.44400376590E-05      
  5      5.7387497E+04         -1.30814179005E-04      
  6      2.0717181E+04         -3.69010139434E-04      
  7      8.0788899E+03         -1.00233340988E-03      
  8      3.3495170E+03         -2.55912194150E-03      
  9      1.4597812E+03         -6.11343433321E-03      
 10      6.6289391E+02         -1.29644775732E-02      
 11      3.1139215E+02         -2.31921068096E-02      
 12      1.4993751E+02         -2.67065126444E-02      
 13      7.2498249E+01          4.01768885463E-03      
 14      3.5569354E+01          1.07614420684E-01      
 15      1.7766633E+01          1.76388084080E-01      
 16      8.7123830E+00         -4.62044404926E-03      
 17      4.1449710E+00         -3.79477254627E-01      
 18      1.9696490E+00         -4.27648094886E-01      
S   1
  1      6.7995200E-01          1.0000000        
S   1
  1      3.2450200E-01          1.0000000        
S   1
  1      1.3744100E-01          1.0000000        
P   13
  1      2.8600831E+04          2.07505596068E-04      
  2      6.7709912E+03          8.53277137065E-04      
  3      2.1990489E+03          3.93718014259E-03      
  4      8.4117957E+02          1.52560618068E-02      
  5      3.5676633E+02          5.03887897072E-02      
  6      1.6263620E+02          1.33915048765E-01      
  7      7.7966035E+01          2.69024020938E-01      
  8      3.8661489E+01          3.65490321245E-01      
  9      1.9576791E+01          2.68053024586E-01      
 10      9.7917610E+00          7.58536689961E-02      
 11      4.8353830E+00          4.75911280084E-03      
 12      2.3681250E+00          1.17633520531E-03      
 13      1.0899960E+00         -2.29207335560E-04      
P   13
  1      2.8600831E+04         -8.48287324312E-05      
  2      6.7709912E+03         -3.50148970828E-04      
  3      2.1990489E+03         -1.62002355878E-03      
  4      8.4117957E+02         -6.34232240747E-03      
  5      3.5676633E+02         -2.12949289301E-02      
  6      1.6263620E+02         -5.86718703218E-02      
  7      7.7966035E+01         -1.23270966842E-01      
  8      3.8661489E+01         -1.78116777671E-01      
  9      1.9576791E+01         -8.90029274651E-02      
 10      9.7917610E+00          2.24637964818E-01      
 11      4.8353830E+00          4.90380164405E-01      
 12      2.3681250E+00          3.64886540275E-01      
 13      1.0899960E+00          7.20586882214E-02      
P   13
  1      2.8600831E+04          2.30128501565E-05      
  2      6.7709912E+03          9.51032071594E-05      
  3      2.1990489E+03          4.39729206128E-04      
  4      8.4117957E+02          1.72589372313E-03      
  5      3.5676633E+02          5.80029063220E-03      
  6      1.6263620E+02          1.60828068524E-02      
  7      7.7966035E+01          3.39421932893E-02      
  8      3.8661489E+01          4.97026518252E-02      
  9      1.9576791E+01          2.20749343197E-02      
 10      9.7917610E+00         -7.77894830781E-02      
 11      4.8353830E+00         -1.76517299170E-01      
 12      2.3681250E+00         -1.52002652063E-01      
 13      1.0899960E+00          1.36200767366E-01      
P   1
  1      5.0458800E-01          1.0000000        
P   1
  1      2.1845500E-01          1.0000000        
P   1
  1      8.9959000E-02          1.0000000        
D   9
  1      1.4377792E+03          1.33988402387E-04      
  2      4.3426846E+02          1.16032550190E-03      
  3      1.6892699E+02          6.60096490092E-03      
  4      7.4777535E+01          2.64484471161E-02      
  5      3.5516024E+01          7.87274522141E-02      
  6      1.7671051E+01          1.76272067330E-01      
  7      9.0046110E+00          2.82490256459E-01      
  8      4.5947730E+00          3.28680598236E-01      
  9      2.3264860E+00          2.59601053561E-01      
D   1
  1      1.1332470E+00          1.0000000        
D   1
  1      4.8130700E-01          1.0000000        
D   1
  1      2.0530000E-01          1.0000000        
F   1
  1      9.5570000E-01          1.0000000        
F   1
  1      4.1300000E-01          1.0000000        
G   1
  1      7.3950000E-01          1.0000000        


name: cc-pVQZ(seg-opt)
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: C
data:
CARBON
S   8
  1  33980.0000000              0.00009204       
  2   5089.0000000              0.00069991       
  3   1157.0000000              0.00369300       
  4    326.6000000              0.01518181       
  5    106.1000000              0.05214035       
  6     38.1100000              0.13827451       
  7     14.7500000              0.26877203       
  8      6.0350000              0.22841839       
S   8
  1  33980.0000000              0.00000034       
  2   5089.0000000             -0.00000135       
  3    326.6000000             -0.00005901       
  4    106.1000000             -0.00026118       
  5     38.1100000             -0.00290391       
  6     14.7500000             -0.01220675       
  7      6.0350000             -0.05660649       
  8      2.5300000             -0.07188168       
S   1
  1      0.7355000              1.0000000        
S   1
  1      0.2905000              1.0000000        
S   1
  1      0.1111000              1.0000000        
P   3
  1     34.5100000              0.0053780        
  2      7.9150000              0.0361320        
  3      2.3680000              0.1424930        
P   1
  1      0.8132000              1.0000000        
P   1
  1      0.2890000              1.0000000        
P   1
  1      0.1007000              1.0000000        
D   1
  1      1.8480000              1.0000000        
D   1
  1      0.6490000              1.0000000        
D   1
  1      0.2280000              1.0000000        
F   1
  1      1.4190000              1.0000000        
F   1
  1      0.4850000              1.0000000        
G   1
  1      1.0110000              1.0000000        


name: cc-pVQZ(seg-opt)
description: VQZ3P Valence Quadruple Zeta + Polarization on All Atoms
elt: O
data:
OXYGEN
S   8
  1  61420.0000000              0.00009156       
  2   9199.0000000              0.00069733       
  3   2091.0000000              0.00367901       
  4    590.9000000              0.01506706       
  5    192.3000000              0.05166742       
  6     69.3200000              0.13584352       
  7     26.9700000              0.26070442       
  8     11.1000000              0.19645692       
S   8
  1  61420.0000000              0.00000061       
  2   9199.0000000             -0.00000180       
  3    590.9000000             -0.00010861       
  4    192.3000000             -0.00049411       
  5     69.3200000             -0.00543605       
  6     26.9700000             -0.02332430       
  7     11.1000000             -0.10371938       
  8      4.6820000             -0.11094276       
S   1
  1      1.4280000              1.0000000        
S   1
  1      0.5547000              1.0000000        
S   1
  1      0.2067000              1.0000000        
P   3
  1     63.4200000              0.0060440        
  2     14.6600000              0.0417990        
  3      4.4590000              0.1611430        
P   1
  1      1.5310000              1.0000000        
P   1
  1      0.5302000              1.0000000        
P   1
  1      0.1750000              1.0000000        
D   1
  1      3.7750000              1.0000000        
D   1
  1      1.3000000              1.0000000        
D   1
  1      0.4440000              1.0000000        
F   1
  1      2.6660000              1.0000000        
F   1
  1      0.8590000              1.0000000        
G   1
  1      1.8460000              1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: H
data:
HYDROGEN
S   3
  1      8.2640000E+01          2.00645661753E-03      
  2      1.2410000E+01          1.53442991776E-02      
  3      2.8240000E+00          7.55822819993E-02      
S   1
  1      7.9770000E-01          1.0000000        
S   1
  1      2.5810000E-01          1.0000000        
S   1
  1      8.9890000E-02          1.0000000        
P   1
  1      2.2920000E+00          1.0000000        
P   1
  1      8.3800000E-01          1.0000000        
P   1
  1      2.9200000E-01          1.0000000        
D   1
  1      2.0620000E+00          1.0000000        
D   1
  1      6.6200000E-01          1.0000000        
F   1
  1      1.3970000E+00          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: He
data:
HELIUM
S   4
  1      5.2850000E+02          9.40032963886E-04      
  2      7.9310000E+01          7.21553958110E-03      
  3      1.8050000E+01          3.59809309852E-02      
  4      5.0850000E+00          1.27791395942E-01      
S   1
  1      1.6090000E+00          1.0000000        
S   1
  1      5.3630000E-01          1.0000000        
S   1
  1      1.8330000E-01          1.0000000        
P   1
  1      5.9940000E+00          1.0000000        
P   1
  1      1.7450000E+00          1.0000000        
P   1
  1      5.6000000E-01          1.0000000        
D   1
  1      4.2990000E+00          1.0000000        
D   1
  1      1.2230000E+00          1.0000000        
F   1
  1      2.6800000E+00          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: B
data:
BORON
S   9
  1      2.3870000E+04          8.86767312948E-05      
  2      3.5750000E+03          6.88587934789E-04      
  3      8.1280000E+02          3.60700933312E-03      
  4      2.2970000E+02          1.49710142135E-02      
  5      7.4690000E+01          5.14840549848E-02      
  6      2.6810000E+01          1.43370744270E-01      
  7      1.0320000E+01          3.00954699239E-01      
  8      4.1780000E+00          4.03392809373E-01      
  9      1.7270000E+00          2.25167443308E-01      
S   9
  1      2.3870000E+04         -1.78757891297E-05      
  2      3.5750000E+03         -1.39640257396E-04      
  3      8.1280000E+02         -7.27040776916E-04      
  4      2.2970000E+02         -3.06917636005E-03      
  5      7.4690000E+01         -1.05954027009E-02      
  6      2.6810000E+01         -3.13944371518E-02      
  7      1.0320000E+01         -7.10323870630E-02      
  8      4.1780000E+00         -1.32125324166E-01      
  9      1.7270000E+00         -1.22847666111E-01      
S   1
  1      4.7040000E-01          1.0000000        
S   1
  1      1.8960000E-01          1.0000000        
S   1
  1      7.3940000E-02          1.0000000        
P   3
  1      2.2260000E+01          5.09744011478E-03      
  2      5.0580000E+00          3.32046320824E-02      
  3      1.4870000E+00          1.32288803781E-01      
P   1
  1      5.0710000E-01          1.0000000        
P   1
  1      1.8120000E-01          1.0000000        
P   1
  1      6.4630000E-02          1.0000000        
D   1
  1      1.1100000E+00          1.0000000        
D   1
  1      4.0200000E-01          1.0000000        
D   1
  1      1.4500000E-01          1.0000000        
F   1
  1      8.8200000E-01          1.0000000        
F   1
  1      3.1100000E-01          1.0000000        
G   1
  1      6.7300000E-01          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: C
data:
CARBON
S   9
  1      3.3980000E+04          9.10481699961E-05      
  2      5.0890000E+03          7.06441864386E-04      
  3      1.1570000E+03          3.70377287970E-03      
  4      3.2660000E+02          1.53935691322E-02      
  5      1.0610000E+02          5.30042970567E-02      
  6      3.8110000E+01          1.47152452519E-01      
  7      1.4750000E+01          3.05667113617E-01      
  8      6.0350000E+00          3.99197268320E-01      
  9      2.5300000E+00          2.16765201442E-01      
S   9
  1      3.3980000E+04         -1.94189283469E-05      
  2      5.0890000E+03         -1.51588526883E-04      
  3      1.1570000E+03         -7.89989328058E-04      
  4      3.2660000E+02         -3.34132523754E-03      
  5      1.0610000E+02         -1.15635471851E-02      
  6      3.8110000E+01         -3.42947000996E-02      
  7      1.4750000E+01         -7.74109455224E-02      
  8      6.0350000E+00         -1.41942201390E-01      
  9      2.5300000E+00         -1.18008895823E-01      
S   1
  1      7.3550000E-01          1.0000000        
S   1
  1      2.9050000E-01          1.0000000        
S   1
  1      1.1110000E-01          1.0000000        
P   3
  1      3.4510000E+01          5.33913621847E-03      
  2      7.9150000E+00          3.59136814286E-02      
  3      2.3680000E+00          1.41633466247E-01      
P   1
  1      8.1320000E-01          1.0000000        
P   1
  1      2.8900000E-01          1.0000000        
P   1
  1      1.0070000E-01          1.0000000        
D   1
  1      1.8480000E+00          1.0000000        
D   1
  1      6.4900000E-01          1.0000000        
D   1
  1      2.2800000E-01          1.0000000        
F   1
  1      1.4190000E+00          1.0000000        
F   1
  1      4.8500000E-01          1.0000000        
G   1
  1      1.0110000E+00          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: N
data:
NITROGEN
S   9
  1      4.5840000E+04          9.28545698982E-05      
  2      6.8680000E+03          7.20179280065E-04      
  3      1.5630000E+03          3.76344881171E-03      
  4      4.4240000E+02          1.55782724576E-02      
  5      1.4430000E+02          5.32515090671E-02      
  6      5.2180000E+01          1.46944141420E-01      
  7      2.0340000E+01          3.04722083259E-01      
  8      8.3810000E+00          3.97517490426E-01      
  9      3.5290000E+00          2.17220278605E-01      
S   9
  1      4.5840000E+04         -2.05364701212E-05      
  2      6.8680000E+03         -1.60270463135E-04      
  3      1.5630000E+03         -8.32447567817E-04      
  4      4.4240000E+02         -3.50865155232E-03      
  5      1.4430000E+02         -1.20584774176E-02      
  6      5.2180000E+01         -3.56363706029E-02      
  7      2.0340000E+01         -8.05493176046E-02      
  8      8.3810000E+00         -1.47624276307E-01      
  9      3.5290000E+00         -1.16506850015E-01      
S   1
  1      1.0540000E+00          1.0000000        
S   1
  1      4.1180000E-01          1.0000000        
S   1
  1      1.5520000E-01          1.0000000        
P   3
  1      4.9330000E+01          5.47820114972E-03      
  2      1.1370000E+01          3.76869946826E-02      
  3      3.4350000E+00          1.47857372768E-01      
P   1
  1      1.1820000E+00          1.0000000        
P   1
  1      4.1730000E-01          1.0000000        
P   1
  1      1.4280000E-01          1.0000000        
D   1
  1      2.8370000E+00          1.0000000        
D   1
  1      9.6800000E-01          1.0000000        
D   1
  1      3.3500000E-01          1.0000000        
F   1
  1      2.0270000E+00          1.0000000        
F   1
  1      6.8500000E-01          1.0000000        
G   1
  1      1.4270000E+00          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: O
data:
OXYGEN
S   9
  1      6.1420000E+04          9.06048982491E-05      
  2      9.1990000E+03          7.02990261874E-04      
  3      2.0910000E+03          3.68223758878E-03      
  4      5.9090000E+02          1.52768537930E-02      
  5      1.9230000E+02          5.25567800525E-02      
  6      6.9320000E+01          1.46115137938E-01      
  7      2.6970000E+01          3.05315537977E-01      
  8      1.1100000E+01          3.98167456209E-01      
  9      4.6820000E+00          2.16515305174E-01      
S   9
  1      6.1420000E+04         -2.05620435898E-05      
  2      9.1990000E+03         -1.60532585717E-04      
  3      2.0910000E+03         -8.35766184032E-04      
  4      5.9090000E+02         -3.53081567112E-03      
  5      1.9230000E+02         -1.22163196781E-02      
  6      6.9320000E+01         -3.64035389616E-02      
  7      2.6970000E+01         -8.31839020333E-02      
  8      1.1100000E+01         -1.52346154463E-01      
  9      4.6820000E+00         -1.14793160978E-01      
S   1
  1      1.4280000E+00          1.0000000        
S   1
  1      5.5470000E-01          1.0000000        
S   1
  1      2.0670000E-01          1.0000000        
P   3
  1      6.3420000E+01          6.04552635576E-03      
  2      1.4660000E+01          4.17772103626E-02      
  3      4.4590000E+00          1.60910823623E-01      
P   1
  1      1.5310000E+00          1.0000000        
P   1
  1      5.3020000E-01          1.0000000        
P   1
  1      1.7500000E-01          1.0000000        
D   1
  1      3.7750000E+00          1.0000000        
D   1
  1      1.3000000E+00          1.0000000        
D   1
  1      4.4400000E-01          1.0000000        
F   1
  1      2.6660000E+00          1.0000000        
F   1
  1      8.5900000E-01          1.0000000        
G   1
  1      1.8460000E+00          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: F
data:
FLUORINE
S   9
  1      7.4530000E+04          9.60639686975E-05      
  2      1.1170000E+04          7.44225245751E-04      
  3      2.5430000E+03          3.88321001472E-03      
  4      7.2100000E+02          1.60023696915E-02      
  5      2.3590000E+02          5.44617372062E-02      
  6      8.5600000E+01          1.49757209564E-01      
  7      3.3550000E+01          3.08307889629E-01      
  8      1.3930000E+01          3.94374682154E-01      
  9      5.9150000E+00          2.10476242800E-01      
S   9
  1      7.4530000E+04         -2.22249763005E-05      
  2      1.1170000E+04         -1.73250442526E-04      
  3      2.5430000E+03         -8.98685040728E-04      
  4      7.2100000E+02         -3.77262313025E-03      
  5      2.3590000E+02         -1.29247680316E-02      
  6      8.5600000E+01         -3.81945664830E-02      
  7      3.3550000E+01         -8.63574046397E-02      
  8      1.3930000E+01         -1.55909094150E-01      
  9      5.9150000E+00         -1.09992590420E-01      
S   1
  1      1.8430000E+00          1.0000000        
S   1
  1      7.1240000E-01          1.0000000        
S   1
  1      2.6370000E-01          1.0000000        
P   3
  1      8.0390000E+01          6.36717924328E-03      
  2      1.8630000E+01          4.42548083145E-02      
  3      5.6940000E+00          1.68539279152E-01      
P   1
  1      1.9530000E+00          1.0000000        
P   1
  1      6.7020000E-01          1.0000000        
P   1
  1      2.1660000E-01          1.0000000        
D   1
  1      5.0140000E+00          1.0000000        
D   1
  1      1.7250000E+00          1.0000000        
D   1
  1      5.8600000E-01          1.0000000        
F   1
  1      3.5620000E+00          1.0000000        
F   1
  1      1.1480000E+00          1.0000000        
G   1
  1      2.3760000E+00          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Ne
data:
NEON
S   9
  1      9.9920000E+04          8.72075071008E-05      
  2      1.4960000E+04          6.76158522206E-04      
  3      3.3990000E+03          3.54593962146E-03      
  4      9.5890000E+02          1.47561633094E-02      
  5      3.1120000E+02          5.11696639186E-02      
  6      1.1170000E+02          1.44050727431E-01      
  7      4.3320000E+01          3.04653751296E-01      
  8      1.7800000E+01          3.99522702042E-01      
  9      7.5030000E+00          2.17938080784E-01      
S   9
  1      9.9920000E+04         -2.04789961142E-05      
  2      1.4960000E+04         -1.59795932167E-04      
  3      3.3990000E+03         -8.32772094943E-04      
  4      9.5890000E+02         -3.52973201612E-03      
  5      3.1120000E+02         -1.23091885171E-02      
  6      1.1170000E+02         -3.71836512769E-02      
  7      4.3320000E+01         -8.62723038366E-02      
  8      1.7800000E+01         -1.58443622411E-01      
  9      7.5030000E+00         -1.13132136222E-01      
S   1
  1      2.3370000E+00          1.0000000        
S   1
  1      9.0010000E-01          1.0000000        
S   1
  1      3.3010000E-01          1.0000000        
P   3
  1      9.9680000E+01          6.59395754439E-03      
  2      2.3150000E+01          4.60514723556E-02      
  3      7.1080000E+00          1.73462604127E-01      
P   1
  1      2.4410000E+00          1.0000000        
P   1
  1      8.3390000E-01          1.0000000        
P   1
  1      2.6620000E-01          1.0000000        
D   1
  1      6.4710000E+00          1.0000000        
D   1
  1      2.2130000E+00          1.0000000        
D   1
  1      7.4700000E-01          1.0000000        
F   1
  1      4.6570000E+00          1.0000000        
F   1
  1      1.5240000E+00          1.0000000        
G   1
  1      2.9830000E+00          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   13
  1      4.1960000E+05          2.84696313334E-05      
  2      6.2830000E+04          2.20576618952E-04      
  3      1.4290000E+04          1.15580244744E-03      
  4      4.0380000E+03          4.85786020258E-03      
  5      1.3120000E+03          1.74064367219E-02      
  6      4.7050000E+02          5.41624157028E-02      
  7      1.8180000E+02          1.41824416449E-01      
  8      7.4460000E+01          2.89424482087E-01      
  9      3.1900000E+01          3.83907151594E-01      
 10      1.3960000E+01          2.31631053985E-01      
 11      5.1800000E+00          2.90959537252E-02      
 12      2.2650000E+00         -2.97376778158E-03      
 13      9.6640000E-01          1.65015896407E-03      
S   13
  1      4.1960000E+05         -7.43268142599E-06      
  2      6.2830000E+04         -5.74794192662E-05      
  3      1.4290000E+04         -3.02402919765E-04      
  4      4.0380000E+03         -1.26968671553E-03      
  5      1.3120000E+03         -4.61291350814E-03      
  6      4.7050000E+02         -1.45863632792E-02      
  7      1.8180000E+02         -4.06403922673E-02      
  8      7.4460000E+01         -9.25657912796E-02      
  9      3.1900000E+01         -1.64504263599E-01      
 10      1.3960000E+01         -1.39427919846E-01      
 11      5.1800000E+00          1.98393090940E-01      
 12      2.2650000E+00          5.72423228442E-01      
 13      9.6640000E-01          3.71192754893E-01      
S   13
  1      4.1960000E+05          1.71682092845E-06      
  2      6.2830000E+04          1.32658575855E-05      
  3      1.4290000E+04          6.98826793758E-05      
  4      4.0380000E+03          2.93006956801E-04      
  5      1.3120000E+03          1.06739900349E-03      
  6      4.7050000E+02          3.37238467594E-03      
  7      1.8180000E+02          9.46460661976E-03      
  8      7.4460000E+01          2.16696094630E-02      
  9      3.1900000E+01          3.96149984748E-02      
 10      1.3960000E+01          3.43828948306E-02      
 11      5.1800000E+00         -5.36032446441E-02      
 12      2.2650000E+00         -1.92706099904E-01      
 13      9.6640000E-01         -2.52252383556E-01      
S   1
  1      2.4470000E-01          1.0000000        
S   1
  1      1.1840000E-01          1.0000000        
S   1
  1      5.0210000E-02          1.0000000        
P   8
  1      8.9130000E+02          5.00652555007E-04      
  2      2.1130000E+02          4.19803815525E-03      
  3      6.8280000E+01          2.13578329961E-02      
  4      2.5700000E+01          7.65839284254E-02      
  5      1.0630000E+01          1.94373401275E-01      
  6      4.6020000E+00          3.34249866931E-01      
  7      2.0150000E+00          3.74609525995E-01      
  8      8.7060000E-01          2.03782283768E-01      
P   8
  1      8.9130000E+02         -9.04052401690E-05      
  2      2.1130000E+02         -7.52400757477E-04      
  3      6.8280000E+01         -3.88620539411E-03      
  4      2.5700000E+01         -1.39562515627E-02      
  5      1.0630000E+01         -3.66689078777E-02      
  6      4.6020000E+00         -6.26748489228E-02      
  7      2.0150000E+00         -7.87986442737E-02      
  8      8.7060000E-01         -2.86747580871E-02      
P   1
  1      2.9720000E-01          1.0000000        
P   1
  1      1.1000000E-01          1.0000000        
P   1
  1      3.9890000E-02          1.0000000        
D   1
  1      4.9400000E-01          1.0000000        
D   1
  1      1.9900000E-01          1.0000000        
D   1
  1      8.0400000E-02          1.0000000        
F   1
  1      4.0100000E-01          1.0000000        
F   1
  1      1.5400000E-01          1.0000000        
G   1
  1      3.5700000E-01          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Si
data:
SILICON
S   13
  1      5.1300000E+05          2.68021216880E-05      
  2      7.6820000E+04          2.07565684221E-04      
  3      1.7470000E+04          1.08723116999E-03      
  4      4.9350000E+03          4.57386808195E-03      
  5      1.6020000E+03          1.64221409223E-02      
  6      5.7410000E+02          5.12922428179E-02      
  7      2.2150000E+02          1.35734795724E-01      
  8      9.0540000E+01          2.81520020262E-01      
  9      3.8740000E+01          3.84330265683E-01      
 10      1.6950000E+01          2.44191905835E-01      
 11      6.4520000E+00          3.39959386421E-02      
 12      2.8740000E+00         -3.30839576495E-03      
 13      1.2500000E+00          1.85427126604E-03      
S   13
  1      5.1300000E+05         -7.16790533779E-06      
  2      7.6820000E+04         -5.54329282124E-05      
  3      1.7470000E+04         -2.91324392667E-04      
  4      4.9350000E+03         -1.22526987618E-03      
  5      1.6020000E+03         -4.45410711223E-03      
  6      5.7410000E+02         -1.41465948224E-02      
  7      2.2150000E+02         -3.96932597609E-02      
  8      9.0540000E+01         -9.18055209212E-02      
  9      3.8740000E+01         -1.65627771799E-01      
 10      1.6950000E+01         -1.50396175922E-01      
 11      6.4520000E+00          1.72146940695E-01      
 12      2.8740000E+00          5.69482646432E-01      
 13      1.2500000E+00          3.94656300498E-01      
S   13
  1      5.1300000E+05          1.84044566158E-06      
  2      7.6820000E+04          1.42174862745E-05      
  3      1.7470000E+04          7.48458800693E-05      
  4      4.9350000E+03          3.14192287119E-04      
  5      1.6020000E+03          1.14602871749E-03      
  6      5.7410000E+02          3.63416852449E-03      
  7      2.2150000E+02          1.02835911296E-02      
  8      9.0540000E+01          2.38895509208E-02      
  9      3.8740000E+01          4.44621168088E-02      
 10      1.6950000E+01          4.13271890061E-02      
 11      6.4520000E+00         -5.14336535527E-02      
 12      2.8740000E+00         -2.18049264509E-01      
 13      1.2500000E+00         -2.84935322879E-01      
S   1
  1      3.5990000E-01          1.0000000        
S   1
  1      1.6990000E-01          1.0000000        
S   1
  1      7.0660000E-02          1.0000000        
P   8
  1      1.1220000E+03          4.57986123933E-04      
  2      2.6600000E+02          3.86118347566E-03      
  3      8.5920000E+01          1.99329501753E-02      
  4      3.2330000E+01          7.29232840754E-02      
  5      1.3370000E+01          1.89990169702E-01      
  6      5.8000000E+00          3.35492130738E-01      
  7      2.5590000E+00          3.78826263254E-01      
  8      1.1240000E+00          2.00807476081E-01      
P   8
  1      1.1220000E+03         -9.79848438876E-05      
  2      2.6600000E+02         -8.15883533882E-04      
  3      8.5920000E+01         -4.30070502197E-03      
  4      3.2330000E+01         -1.56879279474E-02      
  5      1.3370000E+01         -4.27213593096E-02      
  6      5.8000000E+00         -7.46119181732E-02      
  7      2.5590000E+00         -9.66885948166E-02      
  8      1.1240000E+00         -2.08509762437E-02      
P   1
  1      3.9880000E-01          1.0000000        
P   1
  1      1.5330000E-01          1.0000000        
P   1
  1      5.7280000E-02          1.0000000        
D   1
  1      7.6000000E-01          1.0000000        
D   1
  1      3.0200000E-01          1.0000000        
D   1
  1      1.2000000E-01          1.0000000        
F   1
  1      5.4100000E-01          1.0000000        
F   1
  1      2.1200000E-01          1.0000000        
G   1
  1      4.6100000E-01          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: P
data:
PHOSPHOROUS
S   13
  1      6.1520000E+05          2.55236673397E-05      
  2      9.2120000E+04          1.97578821585E-04      
  3      2.0950000E+04          1.03408265976E-03      
  4      5.9200000E+03          4.34733401295E-03      
  5      1.9220000E+03          1.56221205076E-02      
  6      6.8800000E+02          4.90469620470E-02      
  7      2.6500000E+02          1.30725898225E-01      
  8      1.0820000E+02          2.74817846325E-01      
  9      4.6220000E+01          3.84306349648E-01      
 10      2.0230000E+01          2.54221124811E-01      
 11      7.8590000E+00          3.87111379962E-02      
 12      3.5470000E+00         -3.63139547158E-03      
 13      1.5640000E+00          2.05429351345E-03      
S   13
  1      6.1520000E+05         -6.96738602697E-06      
  2      9.2120000E+04         -5.38778086727E-05      
  3      2.0950000E+04         -2.82770094232E-04      
  4      5.9200000E+03         -1.18920038737E-03      
  5      1.9220000E+03         -4.32182370401E-03      
  6      6.8800000E+02         -1.38042642618E-02      
  7      2.6500000E+02         -3.89050933931E-02      
  8      1.0820000E+02         -9.11223031794E-02      
  9      4.6220000E+01         -1.66636199917E-01      
 10      2.0230000E+01         -1.59088100235E-01      
 11      7.8590000E+00          1.51060903444E-01      
 12      3.5470000E+00          5.67174999555E-01      
 13      1.5640000E+00          4.12442740009E-01      
S   13
  1      6.1520000E+05          1.92175118711E-06      
  2      9.2120000E+04          1.48428549109E-05      
  3      2.0950000E+04          7.80447025249E-05      
  4      5.9200000E+03          3.27532789162E-04      
  5      1.9220000E+03          1.19468833068E-03      
  6      6.8800000E+02          3.80906063330E-03      
  7      2.6500000E+02          1.08319014097E-02      
  8      1.0820000E+02          2.54805522751E-02      
  9      4.6220000E+01          4.81363173010E-02      
 10      2.0230000E+01          4.71088306250E-02      
 11      7.8590000E+00         -4.82749334482E-02      
 12      3.5470000E+00         -2.37155312575E-01      
 13      1.5640000E+00         -3.10280460323E-01      
S   1
  1      4.8880000E-01          1.0000000        
S   1
  1      2.2660000E-01          1.0000000        
S   1
  1      9.3310000E-02          1.0000000        
P   8
  1      1.3670000E+03          4.31967818323E-04      
  2      3.2400000E+02          3.66036859387E-03      
  3      1.0460000E+02          1.90631510507E-02      
  4      3.9370000E+01          7.08189895934E-02      
  5      1.6260000E+01          1.88349674516E-01      
  6      7.0560000E+00          3.38491460053E-01      
  7      3.1300000E+00          3.81213916693E-01      
  8      1.3940000E+00          1.94734452825E-01      
P   8
  1      1.3670000E+03         -1.02848973431E-04      
  2      3.2400000E+02         -8.60666418468E-04      
  3      1.0460000E+02         -4.57940450182E-03      
  4      3.9370000E+01         -1.69797374848E-02      
  5      1.6260000E+01         -4.72983058573E-02      
  6      7.0560000E+00         -8.45129688858E-02      
  7      3.1300000E+00         -1.09374255144E-01      
  8      1.3940000E+00         -1.23880705260E-02      
P   1
  1      5.1790000E-01          1.0000000        
P   1
  1      2.0320000E-01          1.0000000        
P   1
  1      7.6980000E-02          1.0000000        
D   1
  1      1.0360000E+00          1.0000000        
D   1
  1      4.1300000E-01          1.0000000        
D   1
  1      1.6500000E-01          1.0000000        
F   1
  1      7.0300000E-01          1.0000000        
F   1
  1      2.8000000E-01          1.0000000        
G   1
  1      5.9700000E-01          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: S
data:
SULFUR
S   13
  1      7.2780000E+05          2.44530168188E-05      
  2      1.0900000E+05          1.89070181060E-04      
  3      2.4800000E+04          9.88383835582E-04      
  4      7.0140000E+03          4.14709619661E-03      
  5      2.2780000E+03          1.49237875055E-02      
  6      8.1470000E+02          4.70073588363E-02      
  7      3.1340000E+02          1.26265282960E-01      
  8      1.2770000E+02          2.68819353255E-01      
  9      5.4480000E+01          3.83621134842E-01      
 10      2.3850000E+01          2.63389767717E-01      
 11      9.4280000E+00          4.32185962012E-02      
 12      4.2900000E+00         -3.73167097135E-03      
 13      1.9090000E+00          2.14771457652E-03      
S   13
  1      7.2780000E+05         -6.79395510559E-06      
  2      1.0900000E+05         -5.24902116954E-05      
  3      2.4800000E+04         -2.75044594771E-04      
  4      7.0140000E+03         -1.15499135347E-03      
  5      2.2780000E+03         -4.19960978812E-03      
  6      8.1470000E+02         -1.34615647035E-02      
  7      3.1340000E+02         -3.81446078151E-02      
  8      1.2770000E+02         -9.03901696524E-02      
  9      5.4480000E+01         -1.67169001353E-01      
 10      2.3850000E+01         -1.66716892021E-01      
 11      9.4280000E+00          1.32726480567E-01      
 12      4.2900000E+00          5.65597225287E-01      
 13      1.9090000E+00          4.27184916324E-01      
S   13
  1      7.2780000E+05          1.97522944903E-06      
  2      1.0900000E+05          1.52398461739E-05      
  3      2.4800000E+04          8.00232354105E-05      
  4      7.0140000E+03          3.35228700120E-04      
  5      2.2780000E+03          1.22389252826E-03      
  6      8.1470000E+02          3.91427936838E-03      
  7      3.1340000E+02          1.11991185660E-02      
  8      1.2770000E+02          2.66419109991E-02      
  9      5.4480000E+01          5.09807273431E-02      
 10      2.3850000E+01          5.21214202720E-02      
 11      9.4280000E+00         -4.43003300249E-02      
 12      4.2900000E+00         -2.52797330543E-01      
 13      1.9090000E+00         -3.30159235363E-01      
S   1
  1      6.2700000E-01          1.0000000        
S   1
  1      2.8730000E-01          1.0000000        
S   1
  1      1.1720000E-01          1.0000000        
P   8
  1      1.5460000E+03          4.54328378518E-04      
  2      3.6640000E+02          3.83672153792E-03      
  3      1.1840000E+02          2.00092661527E-02      
  4      4.4530000E+01          7.45328838251E-02      
  5      1.8380000E+01          1.97572212536E-01      
  6      7.9650000E+00          3.51597119717E-01      
  7      3.5410000E+00          3.77847959770E-01      
  8      1.5910000E+00          1.70360282023E-01      
P   8
  1      1.5460000E+03         -1.16450718053E-04      
  2      3.6640000E+02         -9.73929060175E-04      
  3      1.1840000E+02         -5.17872779146E-03      
  4      4.4530000E+01         -1.93425768927E-02      
  5      1.8380000E+01         -5.36361651310E-02      
  6      7.9650000E+00         -9.58567777084E-02      
  7      3.5410000E+00         -1.17904347865E-01      
  8      1.5910000E+00          1.06201676123E-02      
P   1
  1      6.2050000E-01          1.0000000        
P   1
  1      2.4200000E-01          1.0000000        
P   1
  1      9.0140000E-02          1.0000000        
D   1
  1      1.2500000E+00          1.0000000        
D   1
  1      5.0400000E-01          1.0000000        
D   1
  1      2.0300000E-01          1.0000000        
F   1
  1      8.6900000E-01          1.0000000        
F   1
  1      3.3500000E-01          1.0000000        
G   1
  1      6.8300000E-01          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   13
  1      8.3490000E+05          2.41154956612E-05      
  2      1.2500000E+05          1.86375877812E-04      
  3      2.8430000E+04          9.74650577206E-04      
  4      8.0330000E+03          4.09266466838E-03      
  5      2.6080000E+03          1.47159059293E-02      
  6      9.3390000E+02          4.62168582012E-02      
  7      3.6000000E+02          1.24100825228E-01      
  8      1.4700000E+02          2.64828199746E-01      
  9      6.2880000E+01          3.81691811106E-01      
 10      2.7600000E+01          2.68677324612E-01      
 11      1.1080000E+01          4.65215203526E-02      
 12      5.0750000E+00         -3.65512646121E-03      
 13      2.2780000E+00          2.15351285039E-03      
S   13
  1      8.3490000E+05         -6.80389135508E-06      
  2      1.2500000E+05         -5.25543999365E-05      
  3      2.8430000E+04         -2.75396244076E-04      
  4      8.0330000E+03         -1.15783798321E-03      
  5      2.6080000E+03         -4.20428889585E-03      
  6      9.3390000E+02         -1.34437754894E-02      
  7      3.6000000E+02         -3.80374633452E-02      
  8      1.4700000E+02         -9.03405483471E-02      
  9      6.2880000E+01         -1.67758948894E-01      
 10      2.7600000E+01         -1.71818665363E-01      
 11      1.1080000E+01          1.20506799174E-01      
 12      5.0750000E+00          5.64615175744E-01      
 13      2.2780000E+00          4.36370190963E-01      
S   13
  1      8.3490000E+05          2.06010617889E-06      
  2      1.2500000E+05          1.58893319990E-05      
  3      2.8430000E+04          8.34507631863E-05      
  4      8.0330000E+03          3.49936832730E-04      
  5      2.6080000E+03          1.27622768440E-03      
  6      9.3390000E+02          4.07065569626E-03      
  7      3.6000000E+02          1.16358702463E-02      
  8      1.4700000E+02          2.77374302989E-02      
  9      6.2880000E+01          5.33675689681E-02      
 10      2.7600000E+01          5.60399749451E-02      
 11      1.1080000E+01         -4.15588571452E-02      
 12      5.0750000E+00         -2.66453145184E-01      
 13      2.2780000E+00         -3.45149372429E-01      
S   1
  1      7.7750000E-01          1.0000000        
S   1
  1      3.5270000E-01          1.0000000        
S   1
  1      1.4310000E-01          1.0000000        
P   8
  1      1.7030000E+03          4.89988131931E-04      
  2      4.0360000E+02          4.13859466070E-03      
  3      1.3030000E+02          2.15490894099E-02      
  4      4.9050000E+01          7.98641431456E-02      
  5      2.0260000E+01          2.09233012801E-01      
  6      8.7870000E+00          3.64651190707E-01      
  7      3.9190000E+00          3.70747886456E-01      
  8      1.7650000E+00          1.45666870386E-01      
P   8
  1      1.7030000E+03         -1.32585706319E-04      
  2      4.0360000E+02         -1.11387794149E-03      
  3      1.3030000E+02         -5.89307476390E-03      
  4      4.9050000E+01         -2.20382147625E-02      
  5      2.0260000E+01         -6.02027988840E-02      
  6      8.7870000E+00         -1.06773708941E-01      
  7      3.9190000E+00         -1.21959257316E-01      
  8      1.7650000E+00          3.90659154930E-02      
P   1
  1      7.2070000E-01          1.0000000        
P   1
  1      2.8390000E-01          1.0000000        
P   1
  1      1.0600000E-01          1.0000000        
D   1
  1      1.5510000E+00          1.0000000        
D   1
  1      6.2800000E-01          1.0000000        
D   1
  1      2.5400000E-01          1.0000000        
F   1
  1      1.0890000E+00          1.0000000        
F   1
  1      4.2300000E-01          1.0000000        
G   1
  1      8.2700000E-01          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Ar
data:
ARGON
S   13
  1      9.5060000E+05          2.38015195329E-05      
  2      1.4230000E+05          1.83827938094E-04      
  3      3.2360000E+04          9.61014267818E-04      
  4      9.1450000E+03          4.02960507939E-03      
  5      2.9700000E+03          1.44868104624E-02      
  6      1.0640000E+03          4.54313387829E-02      
  7      4.1080000E+02          1.21955254910E-01      
  8      1.6800000E+02          2.61118359408E-01      
  9      7.1990000E+01          3.79956445515E-01      
 10      3.1670000E+01          2.73510666462E-01      
 11      1.2890000E+01          4.97802864921E-02      
 12      5.9290000E+00         -3.53120440829E-03      
 13      2.6780000E+00          2.14495208800E-03      
S   13
  1      9.5060000E+05         -6.80657197714E-06      
  2      1.4230000E+05         -5.25502610537E-05      
  3      3.2360000E+04         -2.75212215574E-04      
  4      9.1450000E+03         -1.15579918026E-03      
  5      2.9700000E+03         -4.19414862777E-03      
  6      1.0640000E+03         -1.33972522763E-02      
  7      4.1080000E+02         -3.78518212660E-02      
  8      1.6800000E+02         -9.01802176615E-02      
  9      7.1990000E+01         -1.68168851319E-01      
 10      3.1670000E+01         -1.76343571413E-01      
 11      1.2890000E+01          1.09311379498E-01      
 12      5.9290000E+00          5.63958699036E-01      
 13      2.6780000E+00          4.44406761494E-01      
S   13
  1      9.5060000E+05          2.12897223353E-06      
  2      1.4230000E+05          1.64118003305E-05      
  3      3.2360000E+04          8.61515856924E-05      
  4      9.1450000E+03          3.60828109873E-04      
  5      2.9700000E+03          1.31531830458E-03      
  6      1.0640000E+03          4.19032605781E-03      
  7      4.1080000E+02          1.19653845823E-02      
  8      1.6800000E+02          2.86098269397E-02      
  9      7.1990000E+01          5.53308698777E-02      
 10      3.1670000E+01          5.95127536831E-02      
 11      1.2890000E+01         -3.86220596210E-02      
 12      5.9290000E+00         -2.77912271423E-01      
 13      2.6780000E+00         -3.57985047770E-01      
S   1
  1      9.4160000E-01          1.0000000        
S   1
  1      4.2390000E-01          1.0000000        
S   1
  1      1.7140000E-01          1.0000000        
P   8
  1      1.8900000E+03          5.14496300786E-04      
  2      4.4780000E+02          4.33959687724E-03      
  3      1.4460000E+02          2.25815147449E-02      
  4      5.4460000E+01          8.35664479376E-02      
  5      2.2510000E+01          2.17470060943E-01      
  6      9.7740000E+00          3.74144046192E-01      
  7      4.3680000E+00          3.65262256646E-01      
  8      1.9590000E+00          1.28551253125E-01      
P   8
  1      1.8900000E+03         -1.44142097800E-04      
  2      4.4780000E+02         -1.21371902435E-03      
  3      1.4460000E+02         -6.39866332048E-03      
  4      5.4460000E+01         -2.40228381399E-02      
  5      2.2510000E+01         -6.50070613679E-02      
  6      9.7740000E+00         -1.15259673131E-01      
  7      4.3680000E+00         -1.22988465189E-01      
  8      1.9590000E+00          6.57685640390E-02      
P   1
  1      8.2600000E-01          1.0000000        
P   1
  1      3.2970000E-01          1.0000000        
P   1
  1      1.2420000E-01          1.0000000        
D   1
  1      1.8730000E+00          1.0000000        
D   1
  1      7.6300000E-01          1.0000000        
D   1
  1      3.1100000E-01          1.0000000        
F   1
  1      1.3250000E+00          1.0000000        
F   1
  1      5.4300000E-01          1.0000000        
G   1
  1      1.0070000E+00          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   18
  1      1.1274496E+07          4.73293662416E-06      
  2      1.6880534E+06          3.60757906850E-05      
  3      3.8414083E+05          1.86074773981E-04      
  4      1.0880703E+05          7.72321317596E-04      
  5      3.5497691E+04          2.76295799112E-03      
  6      1.2815104E+04          8.81558746561E-03      
  7      4.9981087E+03          2.54134084172E-02      
  8      2.0728848E+03          6.58300857693E-02      
  9      9.0374582E+02          1.48382346258E-01      
 10      4.1044307E+02          2.70848898481E-01      
 11      1.9260636E+02          3.44270820351E-01      
 12      9.2049678E+01          2.30529037213E-01      
 13      4.2047811E+01          4.59767981661E-02      
 14      2.1069217E+01         -2.17951937461E-03      
 15      1.0447915E+01          1.68403717408E-03      
 16      4.7776580E+00         -7.78277995924E-04      
 17      2.2825660E+00          3.29513377419E-04      
 18      1.0353030E+00         -1.30919101300E-04      
S   18
  1      1.1274496E+07         -1.49918801979E-06      
  2      1.6880534E+06         -1.14244440302E-05      
  3      3.8414083E+05         -5.89779535380E-05      
  4      1.0880703E+05         -2.44832390026E-04      
  5      3.5497691E+04         -8.78713381974E-04      
  6      1.2815104E+04         -2.81623944435E-03      
  7      4.9981087E+03         -8.23886039517E-03      
  8      2.0728848E+03         -2.19463222248E-02      
  9      9.0374582E+02         -5.28273067744E-02      
 10      4.1044307E+02         -1.09464668366E-01      
 11      1.9260636E+02         -1.79821346705E-01      
 12      9.2049678E+01         -1.62177989703E-01      
 13      4.2047811E+01          1.31448480343E-01      
 14      2.1069217E+01          5.45530018293E-01      
 15      1.0447915E+01          4.29203789533E-01      
 16      4.7776580E+00          6.86584876457E-02      
 17      2.2825660E+00         -5.08839317695E-04      
 18      1.0353030E+00          1.48435070286E-03      
S   18
  1      1.1274496E+07          5.73899095445E-07      
  2      1.6880534E+06          4.37095860655E-06      
  3      3.8414083E+05          2.25844674920E-05      
  4      1.0880703E+05          9.36599791516E-05      
  5      3.5497691E+04          3.36725137179E-04      
  6      1.2815104E+04          1.07804809323E-03      
  7      4.9981087E+03          3.16594281609E-03      
  8      2.0728848E+03          8.44269558965E-03      
  9      9.0374582E+02          2.05554130833E-02      
 10      4.1044307E+02          4.31389361352E-02      
 11      1.9260636E+02          7.38289985667E-02      
 12      9.2049678E+01          6.95891444413E-02      
 13      4.2047811E+01         -6.49866945243E-02      
 14      2.1069217E+01         -3.66671454772E-01      
 15      1.0447915E+01         -4.08484672448E-01      
 16      4.7776580E+00          2.31506280675E-01      
 17      2.2825660E+00          7.14099918669E-01      
 18      1.0353030E+00          3.46268422097E-01      
S   18
  1      1.1274496E+07         -1.34648031738E-07      
  2      1.6880534E+06         -1.02451969079E-06      
  3      3.8414083E+05         -5.30123063738E-06      
  4      1.0880703E+05         -2.19428876698E-05      
  5      3.5497691E+04         -7.90854658744E-05      
  6      1.2815104E+04         -2.52450298755E-04      
  7      4.9981087E+03         -7.44314372993E-04      
  8      2.0728848E+03         -1.97685276590E-03      
  9      9.0374582E+02         -4.84540022490E-03      
 10      4.1044307E+02         -1.01180308605E-02      
 11      1.9260636E+02         -1.75780958602E-02      
 12      9.2049678E+01         -1.63424862641E-02      
 13      4.2047811E+01          1.51420232482E-02      
 14      2.1069217E+01          9.44647432735E-02      
 15      1.0447915E+01          1.05590943724E-01      
 16      4.7776580E+00         -6.84375231444E-02      
 17      2.2825660E+00         -2.68668099633E-01      
 18      1.0353030E+00         -2.42932059537E-01      
S   1
  1      2.5767400E-01          1.0000000        
S   1
  1      1.1917900E-01          1.0000000        
S   1
  1      5.1294000E-02          1.0000000        
P   13
  1      2.2059771E+04          6.61291999685E-05      
  2      5.2223129E+03          5.44285010592E-04      
  3      1.6960601E+03          3.00880012694E-03      
  4      6.4876573E+02          1.28279143332E-02      
  5      2.7510267E+02          4.40217195651E-02      
  6      1.2534634E+02          1.20582420533E-01      
  7      6.0054334E+01          2.49687748152E-01      
  8      2.9723768E+01          3.58427185649E-01      
  9      1.5039781E+01          2.90557971454E-01      
 10      7.5722730E+00          9.57992135495E-02      
 11      3.7386760E+00          8.08870916338E-03      
 12      1.7967880E+00          1.06319556855E-03      
 13      8.2991000E-01         -2.73358709640E-04      
P   13
  1      2.2059771E+04         -2.51626229345E-05      
  2      5.2223129E+03         -2.07622664525E-04      
  3      1.6960601E+03         -1.15010341381E-03      
  4      6.4876573E+02         -4.94707292306E-03      
  5      2.7510267E+02         -1.72338829740E-02      
  6      1.2534634E+02         -4.87797102012E-02      
  7      6.0054334E+01         -1.05291038855E-01      
  8      2.9723768E+01         -1.60629690411E-01      
  9      1.5039781E+01         -1.10210229270E-01      
 10      7.5722730E+00          1.51556906214E-01      
 11      3.7386760E+00          4.29516504860E-01      
 12      1.7967880E+00          4.20123462735E-01      
 13      8.2991000E-01          1.55838263395E-01      
P   13
  1      2.2059771E+04          4.12539558357E-06      
  2      5.2223129E+03          3.36846790726E-05      
  3      1.6960601E+03          1.88718904154E-04      
  4      6.4876573E+02          8.03358305010E-04      
  5      2.7510267E+02          2.83594154158E-03      
  6      1.2534634E+02          7.95105194063E-03      
  7      6.0054334E+01          1.75102704331E-02      
  8      2.9723768E+01          2.62805377847E-02      
  9      1.5039781E+01          1.86438022622E-02      
 10      7.5722730E+00         -3.23948471012E-02      
 11      3.7386760E+00         -8.03149443712E-02      
 12      1.7967880E+00         -9.96471972142E-02      
 13      8.2991000E-01         -6.99865490713E-03      
P   1
  1      2.7287400E-01          1.0000000        
P   1
  1      1.0154000E-01          1.0000000        
P   1
  1      3.7658000E-02          1.0000000        
D   9
  1      7.6643696E+02          1.79349794601E-04      
  2      2.3100425E+02          1.67667076638E-03      
  3      8.9781238E+01          9.29900946333E-03      
  4      3.9546681E+01          3.46941098872E-02      
  5      1.8607583E+01          9.56573068783E-02      
  6      9.1512870E+00          1.94264597316E-01      
  7      4.5650050E+00          2.82071802191E-01      
  8      2.2530660E+00          3.07743488467E-01      
  9      1.0867230E+00          2.52645056875E-01      
D   1
  1      5.0330400E-01          1.0000000        
D   1
  1      2.1228300E-01          1.0000000        
D   1
  1      8.2800000E-02          1.0000000        
F   1
  1      4.7100000E-01          1.0000000        
F   1
  1      1.8100000E-01          1.0000000        
G   1
  1      4.0320000E-01          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   18
  1      1.2360507E+07          4.61766367119E-06      
  2      1.8506978E+06          3.51507327084E-05      
  3      4.2113142E+05          1.81090849568E-04      
  4      1.1927826E+05          7.50864123998E-04      
  5      3.8912277E+04          2.68386418350E-03      
  6      1.4048682E+04          8.55542352931E-03      
  7      5.4806992E+03          2.46472423585E-02      
  8      2.2742055E+03          6.38542351875E-02      
  9      9.9224129E+02          1.44306497737E-01      
 10      4.5099966E+02          2.65407714032E-01      
 11      2.1182024E+02          3.43357348847E-01      
 12      1.0141102E+02          2.37958379660E-01      
 13      4.6914090E+01          5.11031924267E-02      
 14      2.3508950E+01         -1.74185010320E-03      
 15      1.1681311E+01          1.69137493953E-03      
 16      5.4345260E+00         -7.93851862910E-04      
 17      2.6088080E+00          3.39255000681E-04      
 18      1.1984420E+00         -1.42290290840E-04      
S   18
  1      1.2360507E+07         -1.46980241714E-06      
  2      1.8506978E+06         -1.11870360514E-05      
  3      4.2113142E+05         -5.76750791581E-05      
  4      1.1927826E+05         -2.39229579036E-04      
  5      3.8912277E+04         -8.57583478448E-04      
  6      1.4048682E+04         -2.74666121393E-03      
  7      5.4806992E+03         -8.02404844584E-03      
  8      2.2742055E+03         -2.13722973576E-02      
  9      9.9224129E+02         -5.14582679596E-02      
 10      4.5099966E+02         -1.07150853779E-01      
 11      2.1182024E+02         -1.77639141732E-01      
 12      1.0141102E+02         -1.67342544680E-01      
 13      4.6914090E+01          1.09188223383E-01      
 14      2.3508950E+01          5.32841355201E-01      
 15      1.1681311E+01          4.49464728055E-01      
 16      5.4345260E+00          8.02598886882E-02      
 17      2.6088080E+00         -1.12925035741E-05      
 18      1.1984420E+00          1.59211159797E-03      
S   18
  1      1.2360507E+07          5.68498434951E-07      
  2      1.8506978E+06          4.32517389937E-06      
  3      4.2113142E+05          2.23138029102E-05      
  4      1.1927826E+05          9.24857707003E-05      
  5      3.8912277E+04          3.32000989323E-04      
  6      1.4048682E+04          1.06261949491E-03      
  7      5.4806992E+03          3.11468499516E-03      
  8      2.2742055E+03          8.30970431272E-03      
  9      9.9224129E+02          2.02192764737E-02      
 10      4.5099966E+02          4.26681585227E-02      
 11      2.1182024E+02          7.35473356281E-02      
 12      1.0141102E+02          7.25921690521E-02      
 13      4.6914090E+01         -5.45610736357E-02      
 14      2.3508950E+01         -3.55354131118E-01      
 15      1.1681311E+01         -4.29470793761E-01      
 16      5.4345260E+00          1.84201616581E-01      
 17      2.6088080E+00          7.19395864905E-01      
 18      1.1984420E+00          3.78750114646E-01      
S   18
  1      1.2360507E+07         -1.46941275579E-07      
  2      1.8506978E+06         -1.11688101230E-06      
  3      4.2113142E+05         -5.77014706287E-06      
  4      1.1927826E+05         -2.38714377957E-05      
  5      3.8912277E+04         -8.59022100992E-05      
  6      1.4048682E+04         -2.74147790724E-04      
  7      5.4806992E+03         -8.06701176699E-04      
  8      2.2742055E+03         -2.14367615188E-03      
  9      9.9224129E+02         -5.25082072931E-03      
 10      4.5099966E+02         -1.10269472919E-02      
 11      2.1182024E+02         -1.92935155353E-02      
 12      1.0141102E+02         -1.88026235909E-02      
 13      4.6914090E+01          1.39104877726E-02      
 14      2.3508950E+01          1.00962510872E-01      
 15      1.1681311E+01          1.22959659657E-01      
 16      5.4345260E+00         -5.96157003902E-02      
 17      2.6088080E+00         -2.99518218560E-01      
 18      1.1984420E+00         -2.87489488546E-01      
S   1
  1      3.2980800E-01          1.0000000        
S   1
  1      1.5543300E-01          1.0000000        
S   1
  1      6.6913000E-02          1.0000000        
P   13
  1      2.4017466E+04          6.50276315350E-05      
  2      5.6857175E+03          5.32581747466E-04      
  3      1.8464859E+03          2.93880344848E-03      
  4      7.0624981E+02          1.25348923370E-02      
  5      2.9945610E+02          4.31158435901E-02      
  6      1.3643904E+02          1.18597734926E-01      
  7      6.5390155E+01          2.47080313953E-01      
  8      3.2393735E+01          3.57338259461E-01      
  9      1.6415616E+01          2.93002694193E-01      
 10      8.2877870E+00          9.88125962175E-02      
 11      4.1126340E+00          8.66119146110E-03      
 12      1.9988540E+00          1.07347769434E-03      
 13      9.4429100E-01         -3.18579009499E-04      
P   13
  1      2.4017466E+04         -2.51217887398E-05      
  2      5.6857175E+03         -2.06276287974E-04      
  3      1.8464859E+03         -1.14051764670E-03      
  4      7.0624981E+02         -4.90810255776E-03      
  5      2.9945610E+02         -1.71352468974E-02      
  6      1.3643904E+02         -4.87047209898E-02      
  7      6.5390155E+01         -1.05799696836E-01      
  8      3.2393735E+01         -1.62639274757E-01      
  9      1.6415616E+01         -1.13618680076E-01      
 10      8.2877870E+00          1.48176119124E-01      
 11      4.1126340E+00          4.29845155140E-01      
 12      1.9988540E+00          4.21284550523E-01      
 13      9.4429100E-01          1.53997348882E-01      
P   13
  1      2.4017466E+04          4.93461707660E-06      
  2      5.6857175E+03          4.01628139472E-05      
  3      1.8464859E+03          2.24220729683E-04      
  4      7.0624981E+02          9.56609415772E-04      
  5      2.9945610E+02          3.37864848101E-03      
  6      1.3643904E+02          9.53353073590E-03      
  7      6.5390155E+01          2.10856565867E-02      
  8      3.2393735E+01          3.20262154264E-02      
  9      1.6415616E+01          2.28802388785E-02      
 10      8.2877870E+00         -3.83774636089E-02      
 11      4.1126340E+00         -9.83024023656E-02      
 12      1.9988540E+00         -1.22497688589E-01      
 13      9.4429100E-01         -4.60752663916E-03      
P   1
  1      3.4121100E-01          1.0000000        
P   1
  1      1.3435000E-01          1.0000000        
P   1
  1      5.1735000E-02          1.0000000        
D   9
  1      8.6467411E+02          1.69770043645E-04      
  2      2.6103763E+02          1.58719103149E-03      
  3      1.0177030E+02          8.81942196754E-03      
  4      4.5116641E+01          3.30301925343E-02      
  5      2.1430686E+01          9.13349759567E-02      
  6      1.0659861E+01          1.87967104349E-01      
  7      5.3922870E+00          2.79052909388E-01      
  8      2.7044970E+00          3.11159666323E-01      
  9      1.3285440E+00          2.56107734385E-01      
D   1
  1      6.2645200E-01          1.0000000        
D   1
  1      2.6601300E-01          1.0000000        
D   1
  1      1.0630000E-01          1.0000000        
F   1
  1      5.4920000E-01          1.0000000        
F   1
  1      2.1900000E-01          1.0000000        
G   1
  1      4.6810000E-01          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: As
data:
ARSENIC
S   18
  1      1.3600341E+07          4.47580557980E-06      
  2      2.0365073E+06          3.40204024836E-05      
  3      4.6343278E+05          1.75035173356E-04      
  4      1.3125994E+05          7.24959178774E-04      
  5      4.2819192E+04          2.58926645039E-03      
  6      1.5457019E+04          8.25118261948E-03      
  7      6.0284583E+03          2.37833230116E-02      
  8      2.5005599E+03          6.17262924804E-02      
  9      1.0906149E+03          1.40089485994E-01      
 10      4.9562154E+02          2.59883071004E-01      
 11      2.3281669E+02          3.42269302968E-01      
 12      1.1163118E+02          2.45408505144E-01      
 13      5.2269950E+01          5.67611329449E-02      
 14      2.6149878E+01         -1.12550184112E-03      
 15      1.3018757E+01          1.66097171365E-03      
 16      6.1554320E+00         -7.88694480970E-04      
 17      2.9591270E+00          3.36562713727E-04      
 18      1.3738740E+00         -1.48723987857E-04      
S   18
  1      1.3600341E+07         -1.43136443997E-06      
  2      2.0365073E+06         -1.08795210681E-05      
  3      4.6343278E+05         -5.60064343625E-05      
  4      1.3125994E+05         -2.32099677854E-04      
  5      4.2819192E+04         -8.31115911116E-04      
  6      1.5457019E+04         -2.66154275371E-03      
  7      6.0284583E+03         -7.77343112195E-03      
  8      2.5005599E+03         -2.07351598919E-02      
  9      1.0906149E+03         -5.00136137953E-02      
 10      4.9562154E+02         -1.04754652631E-01      
 11      2.3281669E+02         -1.75313910579E-01      
 12      1.1163118E+02         -1.72093859994E-01      
 13      5.2269950E+01          8.77824007188E-02      
 14      2.6149878E+01          5.18939579428E-01      
 15      1.3018757E+01          4.68065764471E-01      
 16      6.1554320E+00          9.28652323596E-02      
 17      2.9591270E+00          7.89249068233E-04      
 18      1.3738740E+00          1.64430309992E-03      
S   18
  1      1.3600341E+07          5.59415126798E-07      
  2      2.0365073E+06          4.25074046806E-06      
  3      4.6343278E+05          2.18933730717E-05      
  4      1.3125994E+05          9.06832444230E-05      
  5      4.2819192E+04          3.25075138726E-04      
  6      1.5457019E+04          1.04069778095E-03      
  7      6.0284583E+03          3.04816207713E-03      
  8      2.5005599E+03          8.14820998974E-03      
  9      1.0906149E+03          1.98448768928E-02      
 10      4.9562154E+02          4.21483177375E-02      
 11      2.3281669E+02          7.31947433779E-02      
 12      1.1163118E+02          7.54465060408E-02      
 13      5.2269950E+01         -4.44590027951E-02      
 14      2.6149878E+01         -3.43753863430E-01      
 15      1.3018757E+01         -4.48214728311E-01      
 16      6.1554320E+00          1.39475320250E-01      
 17      2.9591270E+00          7.22987769833E-01      
 18      1.3738740E+00          4.08211833673E-01      
S   18
  1      1.3600341E+07         -1.55354943425E-07      
  2      2.0365073E+06         -1.17938369600E-06      
  3      4.6343278E+05         -6.08272369565E-06      
  4      1.3125994E+05         -2.51491185203E-05      
  5      4.2819192E+04         -9.03684545836E-05      
  6      1.5457019E+04         -2.88489910699E-04      
  7      6.0284583E+03         -8.48205511328E-04      
  8      2.5005599E+03         -2.25865138898E-03      
  9      1.0906149E+03         -5.53702144519E-03      
 10      4.9562154E+02         -1.17054405905E-02      
 11      2.3281669E+02         -2.06304458360E-02      
 12      1.1163118E+02         -2.10196242320E-02      
 13      5.2269950E+01          1.20645139366E-02      
 14      2.6149878E+01          1.05009003411E-01      
 15      1.3018757E+01          1.38505188527E-01      
 16      6.1554320E+00         -4.79896327329E-02      
 17      2.9591270E+00         -3.24802369534E-01      
 18      1.3738740E+00         -3.27597040912E-01      
S   1
  1      4.0885000E-01          1.0000000        
S   1
  1      1.9451100E-01          1.0000000        
S   1
  1      8.3641000E-02          1.0000000        
P   13
  1      2.5570418E+04          6.61644845581E-05      
  2      6.0529237E+03          5.39393689741E-04      
  3      1.9657002E+03          2.96951263598E-03      
  4      7.5177229E+02          1.26547542859E-02      
  5      3.1868140E+02          4.35362253791E-02      
  6      1.4514749E+02          1.19756954971E-01      
  7      6.9541162E+01          2.49215489311E-01      
  8      3.4451376E+01          3.58540229365E-01      
  9      1.7460610E+01          2.90417997222E-01      
 10      8.8086090E+00          9.60801414437E-02      
 11      4.3786460E+00          8.01239642218E-03      
 12      2.1444050E+00          1.05636143003E-03      
 13      1.0293500E+00         -3.97119010692E-04      
P   13
  1      2.5570418E+04         -2.59450118449E-05      
  2      6.0529237E+03         -2.12102179751E-04      
  3      1.9657002E+03         -1.16983821902E-03      
  4      7.5177229E+02         -5.03153952970E-03      
  5      3.1868140E+02         -1.75696764613E-02      
  6      1.4514749E+02         -4.99737036714E-02      
  7      6.9541162E+01         -1.08478426015E-01      
  8      3.4451376E+01         -1.66026444753E-01      
  9      1.7460610E+01         -1.11881551638E-01      
 10      8.8086090E+00          1.58117210197E-01      
 11      4.3786460E+00          4.39373240223E-01      
 12      2.1444050E+00          4.14638877924E-01      
 13      1.0293500E+00          1.39668457218E-01      
P   13
  1      2.5570418E+04          5.74564686110E-06      
  2      6.0529237E+03          4.66657657467E-05      
  3      1.9657002E+03          2.59281115872E-04      
  4      7.5177229E+02          1.10829372383E-03      
  5      3.1868140E+02          3.90607370633E-03      
  6      1.4514749E+02          1.10621243886E-02      
  7      6.9541162E+01          2.43788911293E-02      
  8      3.4451376E+01          3.70683068763E-02      
  9      1.7460610E+01          2.50829912187E-02      
 10      8.8086090E+00         -4.60458469252E-02      
 11      4.3786460E+00         -1.16179817459E-01      
 12      2.1444050E+00         -1.39527473225E-01      
 13      1.0293500E+00          8.44466480076E-03      
P   1
  1      4.0463600E-01          1.0000000        
P   1
  1      1.6562200E-01          1.0000000        
P   1
  1      6.5610000E-02          1.0000000        
D   9
  1      9.9697960E+02          1.51599744936E-04      
  2      3.0098518E+02          1.42706109834E-03      
  3      1.1723473E+02          8.05828098764E-03      
  4      5.1956904E+01          3.08950163247E-02      
  5      2.4689440E+01          8.72987987257E-02      
  6      1.2295171E+01          1.84045809226E-01      
  7      6.2446520E+00          2.79278119094E-01      
  8      3.1554600E+00          3.15658788663E-01      
  9      1.5680490E+00          2.57840455821E-01      
D   1
  1      7.4864700E-01          1.0000000        
D   1
  1      3.1912500E-01          1.0000000        
D   1
  1      1.3000000E-01          1.0000000        
F   1
  1      6.4400000E-01          1.0000000        
F   1
  1      2.6400000E-01          1.0000000        
G   1
  1      5.4650000E-01          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Se
data:
SELENIUM
S   18
  1      1.5011000E+07          4.31390160019E-06      
  2      2.2475000E+06          3.27478866424E-05      
  3      5.1145000E+05          1.68242663145E-04      
  4      1.4487000E+05          6.95998396146E-04      
  5      4.7261000E+04          2.48328566474E-03      
  6      1.7062000E+04          7.90787679596E-03      
  7      6.6545000E+03          2.27987742680E-02      
  8      2.7598000E+03          5.92898670453E-02      
  9      1.2032000E+03          1.35260737902E-01      
 10      5.4653000E+02          2.53548603983E-01      
 11      2.5663000E+02          3.40935802500E-01      
 12      1.2314000E+02          2.53800947407E-01      
 13      5.8263000E+01          6.34497606416E-02      
 14      2.9023000E+01         -3.25202042356E-04      
 15      1.4465000E+01          1.60650819486E-03      
 16      6.9348000E+00         -7.71039010648E-04      
 17      3.3299000E+00          3.26911460733E-04      
 18      1.5600000E+00         -1.51753972764E-04      
S   18
  1      1.5011000E+07         -1.38589794550E-06      
  2      2.2475000E+06         -1.05216411695E-05      
  3      5.1145000E+05         -5.40764488392E-05      
  4      1.4487000E+05         -2.23880214281E-04      
  5      4.7261000E+04         -8.00596391914E-04      
  6      1.7062000E+04         -2.56246359702E-03      
  7      6.6545000E+03         -7.47938433669E-03      
  8      2.7598000E+03         -1.99820593256E-02      
  9      1.2032000E+03         -4.83164354888E-02      
 10      5.4653000E+02         -1.01927244000E-01      
 11      2.5663000E+02         -1.72588691612E-01      
 12      1.2314000E+02         -1.76931020561E-01      
 13      5.8263000E+01          6.63507619786E-02      
 14      2.9023000E+01          5.04196661111E-01      
 15      1.4465000E+01          4.85413353173E-01      
 16      6.9348000E+00          1.06266657783E-01      
 17      3.3299000E+00          1.85577160900E-03      
 18      1.5600000E+00          1.64048418851E-03      
S   18
  1      1.5011000E+07          5.47202525240E-07      
  2      2.2475000E+06          4.15353407691E-06      
  3      5.1145000E+05          2.13547296438E-05      
  4      1.4487000E+05          8.83834189961E-05      
  5      4.7261000E+04          3.16314537866E-04      
  6      1.7062000E+04          1.01244617388E-03      
  7      6.6545000E+03          2.96223178540E-03      
  8      2.7598000E+03          7.93419766545E-03      
  9      1.2032000E+03          1.93556225853E-02      
 10      5.4653000E+02          4.14211572993E-02      
 11      2.5663000E+02          7.26335226710E-02      
 12      1.2314000E+02          7.83220972067E-02      
 13      5.8263000E+01         -3.42006707494E-02      
 14      2.9023000E+01         -3.31911125060E-01      
 15      1.4465000E+01         -4.64972501801E-01      
 16      6.9348000E+00          9.78429247276E-02      
 17      3.3299000E+00          7.25033964588E-01      
 18      1.5600000E+00          4.34340652660E-01      
S   18
  1      1.5011000E+07         -1.60760198197E-07      
  2      2.2475000E+06         -1.21910239874E-06      
  3      5.1145000E+05         -6.27658957682E-06      
  4      1.4487000E+05         -2.59294644811E-05      
  5      4.7261000E+04         -9.30257092515E-05      
  6      1.7062000E+04         -2.96892510222E-04      
  7      6.6545000E+03         -8.72050116433E-04      
  8      2.7598000E+03         -2.32652350353E-03      
  9      1.2032000E+03         -5.71355889642E-03      
 10      5.4653000E+02         -1.21689282920E-02      
 11      2.5663000E+02         -2.16605626421E-02      
 12      1.2314000E+02         -2.30948529078E-02      
 13      5.8263000E+01          9.63948919875E-03      
 14      2.9023000E+01          1.07363634307E-01      
 15      1.4465000E+01          1.52440039650E-01      
 16      6.9348000E+00         -3.46770369909E-02      
 17      3.3299000E+00         -3.46597759525E-01      
 18      1.5600000E+00         -3.63185923489E-01      
S   1
  1      4.9291000E-01          1.0000000        
S   1
  1      2.3525000E-01          1.0000000        
S   1
  1      1.0037000E-01          1.0000000        
P   13
  1      2.5217000E+04          7.62156478441E-05      
  2      5.9699000E+03          6.19273790460E-04      
  3      1.9389000E+03          3.39604166498E-03      
  4      7.4166000E+02          1.43766596381E-02      
  5      3.1450000E+02          4.89496181379E-02      
  6      1.4331000E+02          1.32145085345E-01      
  7      6.8650000E+01          2.66940322420E-01      
  8      3.3995000E+01          3.64674636085E-01      
  9      1.7185000E+01          2.69138536620E-01      
 10      8.5740000E+00          7.62534822996E-02      
 11      4.2206000E+00          4.45456131509E-03      
 12      2.0521000E+00          9.07176032996E-04      
 13      9.6156000E-01         -5.41034243611E-04      
P   13
  1      2.5217000E+04         -3.03181277973E-05      
  2      5.9699000E+03         -2.47166040102E-04      
  3      1.9389000E+03         -1.35774272270E-03      
  4      7.4166000E+02         -5.80777800260E-03      
  5      3.1450000E+02         -2.00905968780E-02      
  6      1.4331000E+02         -5.62301037873E-02      
  7      6.8650000E+01         -1.18647348901E-01      
  8      3.3995000E+01         -1.72621290117E-01      
  9      1.7185000E+01         -8.94432846312E-02      
 10      8.5740000E+00          2.13031046684E-01      
 11      4.2206000E+00          4.74454595842E-01      
 12      2.0521000E+00          3.76783837537E-01      
 13      9.6156000E-01          8.90244470361E-02      
P   13
  1      2.5217000E+04          7.31944140441E-06      
  2      5.9699000E+03          5.95724624010E-05      
  3      1.9389000E+03          3.28020833376E-04      
  4      7.4166000E+02          1.40179950607E-03      
  5      3.1450000E+02          4.86984440458E-03      
  6      1.4331000E+02          1.36559545166E-02      
  7      6.8650000E+01          2.90677455588E-02      
  8      3.3995000E+01          4.24850305552E-02      
  9      1.7185000E+01          2.05542142158E-02      
 10      8.5740000E+00         -6.54165598163E-02      
 11      4.2206000E+00         -1.44003223565E-01      
 12      2.0521000E+00         -1.41548545485E-01      
 13      9.6156000E-01          6.93075457555E-02      
P   1
  1      4.2151000E-01          1.0000000        
P   1
  1      1.7626000E-01          1.0000000        
P   1
  1      7.0663000E-02          1.0000000        
D   9
  1      1.1434000E+03          1.35561319894E-04      
  2      3.4533000E+02          1.28213694040E-03      
  3      1.3446000E+02          7.33827089932E-03      
  4      5.9567000E+01          2.87929859991E-02      
  5      2.8283000E+01          8.34019467368E-02      
  6      1.4061000E+01          1.80820264612E-01      
  7      7.1390000E+00          2.80989313194E-01      
  8      3.6148000E+00          3.21292856517E-01      
  9      1.8072000E+00          2.58856447881E-01      
D   1
  1      8.6944000E-01          1.0000000        
D   1
  1      3.7036000E-01          1.0000000        
D   1
  1      1.5300000E-01          1.0000000        
F   1
  1      7.0970000E-01          1.0000000        
F   1
  1      2.8400000E-01          1.0000000        
G   1
  1      5.7300000E-01          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Br
data:
BROMINE
S   18
  1      1.6475000E+07          4.17949144104E-06      
  2      2.4666000E+06          3.16809776366E-05      
  3      5.6131000E+05          1.62545528163E-04      
  4      1.5899000E+05          6.71595484697E-04      
  5      5.1869000E+04          2.39388112079E-03      
  6      1.8726000E+04          7.61715774803E-03      
  7      7.3036000E+03          2.19607181185E-02      
  8      3.0291000E+03          5.71635553138E-02      
  9      1.3208000E+03          1.30892989646E-01      
 10      6.0003000E+02          2.47444137875E-01      
 11      2.8190000E+02          3.38704474913E-01      
 12      1.3554000E+02          2.61122204709E-01      
 13      6.4870000E+01          7.06045642470E-02      
 14      3.2129000E+01          8.05636601745E-04      
 15      1.6037000E+01          1.45893895096E-03      
 16      7.7849000E+00         -7.03381668432E-04      
 17      3.7247000E+00          2.91023493958E-04      
 18      1.7583000E+00         -1.43326488442E-04      
S   18
  1      1.6475000E+07         -1.34869625848E-06      
  2      2.4666000E+06         -1.02253341058E-05      
  3      5.6131000E+05         -5.24752098833E-05      
  4      1.5899000E+05         -2.17026828746E-04      
  5      5.1869000E+04         -7.75075615474E-04      
  6      1.8726000E+04         -2.47935755059E-03      
  7      7.3036000E+03         -7.23107580310E-03      
  8      3.0291000E+03         -1.93307870433E-02      
  9      1.3208000E+03         -4.67962454172E-02      
 10      6.0003000E+02         -9.92730372329E-02      
 11      2.8190000E+02         -1.69612089447E-01      
 12      1.3554000E+02         -1.80697699326E-01      
 13      6.4870000E+01          4.60214050539E-02      
 14      3.2129000E+01          4.87754799510E-01      
 15      1.6037000E+01          5.01178450942E-01      
 16      7.7849000E+00          1.20869869141E-01      
 17      3.7247000E+00          3.20423255681E-03      
 18      1.7583000E+00          1.59176979499E-03      
S   18
  1      1.6475000E+07          5.37800228339E-07      
  2      2.4666000E+06          4.07708023453E-06      
  3      5.6131000E+05          2.09270434431E-05      
  4      1.5899000E+05          8.65426110994E-05      
  5      5.1869000E+04          3.09235517380E-04      
  6      1.8726000E+04          9.89550426663E-04      
  7      7.3036000E+03          2.89163522142E-03      
  8      3.0291000E+03          7.75337336856E-03      
  9      1.3208000E+03          1.89212625476E-02      
 10      6.0003000E+02          4.07364996339E-02      
 11      2.8190000E+02          7.19361491932E-02      
 12      1.3554000E+02          8.07311663572E-02      
 13      6.4870000E+01         -2.44088603031E-02      
 14      3.2129000E+01         -3.19218364518E-01      
 15      1.6037000E+01         -4.79444679417E-01      
 16      7.7849000E+00          5.75147438108E-02      
 17      3.7247000E+00          7.25534509320E-01      
 18      1.7583000E+00          4.58479521148E-01      
S   18
  1      1.6475000E+07         -1.65370561348E-07      
  2      2.4666000E+06         -1.25250233960E-06      
  3      5.6131000E+05         -6.43791507879E-06      
  4      1.5899000E+05         -2.65741119690E-05      
  5      5.1869000E+04         -9.51882162085E-05      
  6      1.8726000E+04         -3.03717730979E-04      
  7      7.3036000E+03         -8.91004876912E-04      
  8      3.0291000E+03         -2.37957869354E-03      
  9      1.3208000E+03         -5.84618270271E-03      
 10      6.0003000E+02         -1.25264132166E-02      
 11      2.8190000E+02         -2.24553434292E-02      
 12      1.3554000E+02         -2.49286100757E-02      
 13      6.4870000E+01          6.98344698749E-03      
 14      3.2129000E+01          1.08131481917E-01      
 15      1.6037000E+01          1.64945056227E-01      
 16      7.7849000E+00         -2.01371525629E-02      
 17      3.7247000E+00         -3.64682695923E-01      
 18      1.7583000E+00         -3.96347338978E-01      
S   1
  1      5.8331000E-01          1.0000000        
S   1
  1      2.7856000E-01          1.0000000        
S   1
  1      1.1829000E-01          1.0000000        
P   13
  1      2.6607000E+04          7.82143907172E-05      
  2      6.2982000E+03          6.32719795339E-04      
  3      2.0452000E+03          3.46222683233E-03      
  4      7.8216000E+02          1.46377266069E-02      
  5      3.3163000E+02          4.97819187522E-02      
  6      1.5111000E+02          1.34104260794E-01      
  7      7.2392000E+01          2.69847073011E-01      
  8      3.5862000E+01          3.65386109084E-01      
  9      1.8134000E+01          2.65095001414E-01      
 10      9.0430000E+00          7.31765562187E-02      
 11      4.4500000E+00          3.97050183528E-03      
 12      2.1661000E+00          7.97532767054E-04      
 13      9.9628000E-01         -5.89392135907E-04      
P   13
  1      2.6607000E+04         -3.15493515824E-05      
  2      6.2982000E+03         -2.56055326039E-04      
  3      2.0452000E+03         -1.40377344748E-03      
  4      7.8216000E+02         -5.99718306327E-03      
  5      3.3163000E+02         -2.07314608130E-02      
  6      1.5111000E+02         -5.79219008034E-02      
  7      7.2392000E+01         -1.21859444055E-01      
  8      3.5862000E+01         -1.75612657852E-01      
  9      1.8134000E+01         -8.53513059899E-02      
 10      9.0430000E+00          2.26369561924E-01      
 11      4.4500000E+00          4.85975441050E-01      
 12      2.1661000E+00          3.65090654950E-01      
 13      9.9628000E-01          7.48669815304E-02      
P   13
  1      2.6607000E+04          8.14962073857E-06      
  2      6.2982000E+03          6.61817358939E-05      
  3      2.0452000E+03          3.62848786310E-04      
  4      7.8216000E+02          1.55252645419E-03      
  5      3.3163000E+02          5.37706318155E-03      
  6      1.5111000E+02          1.50976684868E-02      
  7      7.2392000E+01          3.19448511370E-02      
  8      3.5862000E+01          4.65206070442E-02      
  9      1.8134000E+01          2.02832994616E-02      
 10      9.0430000E+00         -7.41537250247E-02      
 11      4.4500000E+00         -1.63043393001E-01      
 12      2.1661000E+00         -1.45429912031E-01      
 13      9.9628000E-01          1.11778180562E-01      
P   1
  1      4.5443000E-01          1.0000000        
P   1
  1      1.9404000E-01          1.0000000        
P   1
  1      7.8997000E-02          1.0000000        
D   9
  1      1.2896000E+03          1.24548955677E-04      
  2      3.8975000E+02          1.18138239974E-03      
  3      1.5176000E+02          6.82502566483E-03      
  4      6.7223000E+01          2.72641860328E-02      
  5      3.1913000E+01          8.04839809988E-02      
  6      1.5857000E+01          1.78271991052E-01      
  7      8.0545000E+00          2.82343640500E-01      
  8      4.0887000E+00          3.25844720842E-01      
  9      2.0556000E+00          2.59171571041E-01      
D   1
  1      9.9509000E-01          1.0000000        
D   1
  1      4.2313000E-01          1.0000000        
D   1
  1      1.7790000E-01          1.0000000        
F   1
  1      8.2570000E-01          1.0000000        
F   1
  1      3.4070000E-01          1.0000000        
G   1
  1      6.4910000E-01          1.0000000        


name: cc-pVQZ(pt/sf/sc)
description: VQZ3P Relativistic Valence Quadruple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   18
  1      1.8226108E+07          4.00315952630E-06      
  2      2.7288025E+06          3.02975793791E-05      
  3      6.2099771E+05          1.55223233183E-04      
  4      1.7589958E+05          6.40537798997E-04      
  5      5.7387497E+04          2.28094371839E-03      
  6      2.0717181E+04          7.25453441423E-03      
  7      8.0788899E+03          2.09247536501E-02      
  8      3.3495170E+03          5.45915206745E-02      
  9      1.4597812E+03          1.25677891401E-01      
 10      6.6289391E+02          2.40151594943E-01      
 11      3.1139215E+02          3.35915286481E-01      
 12      1.4993751E+02          2.69620260849E-01      
 13      7.2498249E+01          7.95757893473E-02      
 14      3.5569354E+01          2.31292286264E-03      
 15      1.7766633E+01          1.25198981590E-03      
 16      8.7123830E+00         -6.07725005317E-04      
 17      4.1449710E+00          2.42439002136E-04      
 18      1.9696490E+00         -1.28598682571E-04      
S   18
  1      1.8226108E+07         -1.29740244139E-06      
  2      2.7288025E+06         -9.82257134651E-06      
  3      6.2099771E+05         -5.03255752554E-05      
  4      1.7589958E+05         -2.07926199330E-04      
  5      5.7387497E+04         -7.41551600341E-04      
  6      2.0717181E+04         -2.37162714761E-03      
  7      8.0788899E+03         -6.91331833540E-03      
  8      3.3495170E+03         -1.85162925275E-02      
  9      1.4597812E+03         -4.49309345294E-02      
 10      6.6289391E+02         -9.60196760273E-02      
 11      3.1139215E+02         -1.65964957521E-01      
 12      1.4993751E+02         -1.84538454507E-01      
 13      7.2498249E+01          2.45097818800E-02      
 14      3.5569354E+01          4.69381129590E-01      
 15      1.7766633E+01          5.16523269476E-01      
 16      8.7123830E+00          1.37028345112E-01      
 17      4.1449710E+00          4.81687795055E-03      
 18      1.9696490E+00          1.50833237252E-03      
S   18
  1      1.8226108E+07          5.22272842735E-07      
  2      2.7288025E+06          3.95421432027E-06      
  3      6.2099771E+05          2.02598301947E-05      
  4      1.7589958E+05          8.37168338075E-05      
  5      5.7387497E+04          2.98641579005E-04      
  6      2.0717181E+04          9.55767285943E-04      
  7      8.0788899E+03          2.79016323626E-03      
  8      3.3495170E+03          7.49857229499E-03      
  9      1.4597812E+03          1.83269356752E-02      
 10      6.6289391E+02          3.97619498788E-02      
 11      3.1139215E+02          7.08796759661E-02      
 12      1.4993751E+02          8.31181916950E-02      
 13      7.2498249E+01         -1.39209579441E-02      
 14      3.5569354E+01         -3.05140111246E-01      
 15      1.7766633E+01         -4.92392996799E-01      
 16      8.7123830E+00          1.75948698132E-02      
 17      4.1449710E+00          7.24348462500E-01      
 18      1.9696490E+00          4.81230428653E-01      
S   18
  1      1.8226108E+07         -1.66804068494E-07      
  2      2.7288025E+06         -1.26172625428E-06      
  3      6.2099771E+05         -6.47357759513E-06      
  4      1.7589958E+05         -2.67004215028E-05      
  5      5.7387497E+04         -9.54805889364E-05      
  6      2.0717181E+04         -3.04692676000E-04      
  7      8.0788899E+03         -8.92967538139E-04      
  8      3.3495170E+03         -2.39038550567E-03      
  9      1.4597812E+03         -5.88129884384E-03      
 10      6.6289391E+02         -1.26997854443E-02      
 11      3.1139215E+02         -2.29779677402E-02      
 12      1.4993751E+02         -2.66750366967E-02      
 13      7.2498249E+01          3.81963747188E-03      
 14      3.5569354E+01          1.07338432725E-01      
 15      1.7766633E+01          1.76354730919E-01      
 16      8.7123830E+00         -4.50212048642E-03      
 17      4.1449710E+00         -3.79395546980E-01      
 18      1.9696490E+00         -4.27663503160E-01      
S   1
  1      6.7995200E-01          1.0000000        
S   1
  1      3.2450200E-01          1.0000000        
S   1
  1      1.3744100E-01          1.0000000        
P   13
  1      2.8600831E+04          7.76014899372E-05      
  2      6.7709912E+03          6.24394611541E-04      
  3      2.1990489E+03          3.40765493048E-03      
  4      8.4117957E+02          1.43966533655E-02      
  5      3.5676633E+02          4.89961641056E-02      
  6      1.6263620E+02          1.32324222168E-01      
  7      7.7966035E+01          2.67520306577E-01      
  8      3.8661489E+01          3.64735337526E-01      
  9      1.9576791E+01          2.67589039642E-01      
 10      9.7917610E+00          7.53891977154E-02      
 11      4.8353830E+00          4.21883888979E-03      
 12      2.3681250E+00          7.37035075150E-04      
 13      1.0899960E+00         -6.19777050989E-04      
P   13
  1      2.8600831E+04         -3.17320985975E-05      
  2      6.7709912E+03         -2.56112027170E-04      
  3      2.1990489E+03         -1.40065727692E-03      
  4      8.4117957E+02         -5.97830031205E-03      
  5      3.5676633E+02         -2.06834068765E-02      
  6      1.6263620E+02         -5.79190246070E-02      
  7      7.7966035E+01         -1.22495324259E-01      
  8      3.8661489E+01         -1.77677073705E-01      
  9      1.9576791E+01         -8.89152135976E-02      
 10      9.7917610E+00          2.24563498076E-01      
 11      4.8353830E+00          4.90436456382E-01      
 12      2.3681250E+00          3.64968973641E-01      
 13      1.0899960E+00          7.21141181146E-02      
P   13
  1      2.8600831E+04          8.60586774924E-06      
  2      6.7709912E+03          6.95682949417E-05      
  3      2.1990489E+03          3.80102782228E-04      
  4      8.4117957E+02          1.62664214081E-03      
  5      3.5676633E+02          5.63280616336E-03      
  6      1.6263620E+02          1.58745625627E-02      
  7      7.7966035E+01          3.37254515816E-02      
  8      3.8661489E+01          4.95780714759E-02      
  9      1.9576791E+01          2.20625955209E-02      
 10      9.7917610E+00         -7.77434257933E-02      
 11      4.8353830E+00         -1.76503650373E-01      
 12      2.3681250E+00         -1.52019629926E-01      
 13      1.0899960E+00          1.36164536918E-01      
P   1
  1      5.0458800E-01          1.0000000        
P   1
  1      2.1845500E-01          1.0000000        
P   1
  1      8.9959000E-02          1.0000000        
D   9
  1      1.4377792E+03          1.16558140028E-04      
  2      4.3426846E+02          1.11067776954E-03      
  3      1.6892699E+02          6.47651573660E-03      
  4      7.4777535E+01          2.62314798527E-02      
  5      3.5516024E+01          7.84256556433E-02      
  6      1.7671051E+01          1.75972612500E-01      
  7      9.0046110E+00          2.82266228466E-01      
  8      4.5947730E+00          3.28558008133E-01      
  9      2.3264860E+00          2.59545120742E-01      
D   1
  1      1.1332470E+00          1.0000000        
D   1
  1      4.8130700E-01          1.0000000        
D   1
  1      2.0530000E-01          1.0000000        
F   1
  1      9.5570000E-01          1.0000000        
F   1
  1      4.1300000E-01          1.0000000        
G   1
  1      7.3950000E-01          1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: H
data:
HYDROGEN
S   4
  1    402.0000000              0.0002790        
  2     60.2400000              0.0021650        
  3     13.7300000              0.0112010        
  4      3.9050000              0.0448780        
S   1
  1      1.2830000              1.0000000        
S   1
  1      0.4655000              1.0000000        
S   1
  1      0.1811000              1.0000000        
S   1
  1      0.0727900              1.0000000        
P   1
  1      3.2599000              1.0000000        
P   1
  1      1.2389000              1.0000000        
P   1
  1      0.4708000              1.0000000        
P   1
  1      0.1789000              1.0000000        
D   1
  1      1.1111000              1.0000000        
D   1
  1      0.3501000              1.0000000        
F   1
  1      0.4796000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: He
data:
HELIUM
S   4
  1   1145.0000000              0.0003590        
  2    171.7000000              0.0027710        
  3     39.0700000              0.0142510        
  4     11.0400000              0.0555660        
S   1
  1      3.5660000              1.0000000        
S   1
  1      1.2400000              1.0000000        
S   1
  1      0.4473000              1.0000000        
S   1
  1      0.1640000              1.0000000        
S   1
  1      0.0466400              1.0000000        
P   1
  1      7.6678000              1.0000000        
P   1
  1      2.7651000              1.0000000        
P   1
  1      0.9971000              1.0000000        
P   1
  1      0.3596000              1.0000000        
D   1
  1      0.9239000              1.0000000        
D   1
  1      0.4420000              1.0000000        
F   1
  1      0.7445000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: Li
data:
LITHIUM
S   10
  1  29493.0000000              0.0000180        
  2   4417.1010000              0.0001410        
  3   1005.2230000              0.0007390        
  4    284.7009000              0.0031070        
  5     92.8654300              0.0111350        
  6     33.5117900              0.0346700        
  7     13.0418000              0.0921710        
  8      5.3575360              0.1995760        
  9      2.2793380              0.3288360        
 10      0.9939900              0.3459750        
S   10
  1  29493.0000000             -0.0000030        
  2   4417.1010000             -0.0000220        
  3   1005.2230000             -0.0001150        
  4    284.7009000             -0.0004870        
  5     92.8654300             -0.0017460        
  6     33.5117900             -0.0055200        
  7     13.0418000             -0.0149280        
  8      5.3575360             -0.0342060        
  9      2.2793380             -0.0621550        
 10      0.9939900             -0.0959020        
S   1
  1      0.4334710              1.0000000        
S   1
  1      0.0955660              1.0000000        
S   1
  1      0.0446570              1.0000000        
S   1
  1      0.0206330              1.0000000        
S   1
  1      0.0061000              1.0000000        
P   3
  1     19.6635000              0.0005400        
  2      4.6231100              0.0038650        
  3      1.4137800              0.0151710        
P   1
  1      0.4737210              1.0000000        
P   1
  1      0.1761510              1.0000000        
P   1
  1      0.0726750              1.0000000        
P   1
  1      0.0321410              1.0000000        
P   1
  1      0.0145560              1.0000000        
P   1
  1      0.0065000              1.0000000        
D   1
  1      0.3263570              1.0000000        
D   1
  1      0.1778360              1.0000000        
D   1
  1      0.0969050              1.0000000        
D   1
  1      0.0528040              1.0000000        
F   1
  1      0.2076280              1.0000000        
F   1
  1      0.1211940              1.0000000        
F   1
  1      0.0707420              1.0000000        
G   1
  1      0.1961340              1.0000000        
G   1
  1      0.1087330              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: Be
data:
BERYLLIUM
S   10
  1  54620.0000000              0.0000180        
  2   8180.0000000              0.0001380        
  3   1862.0000000              0.0007230        
  4    527.3000000              0.0030390        
  5    172.0000000              0.0109080        
  6     62.1000000              0.0340350        
  7     24.2100000              0.0911930        
  8      9.9930000              0.1992680        
  9      4.3050000              0.3293550        
 10      1.9210000              0.3404890        
S   10
  1  54620.0000000             -0.0000030        
  2   8180.0000000             -0.0000250        
  3   1862.0000000             -0.0001310        
  4    527.3000000             -0.0005580        
  5    172.0000000             -0.0019880        
  6     62.1000000             -0.0063700        
  7     24.2100000             -0.0172170        
  8      9.9930000             -0.0408580        
  9      4.3050000             -0.0742370        
 10      1.9210000             -0.1192340        
S   1
  1      0.8663000              1.0000000        
S   1
  1      0.2475000              1.0000000        
S   1
  1      0.1009000              1.0000000        
S   1
  1      0.0412900              1.0000000        
S   1
  1      0.0128000              1.0000000        
P   3
  1     43.7500000              0.0006330        
  2     10.3300000              0.0048080        
  3      3.2260000              0.0205270        
P   1
  1      1.1270000              1.0000000        
P   1
  1      0.4334000              1.0000000        
P   1
  1      0.1808000              1.0000000        
P   1
  1      0.0782700              1.0000000        
P   1
  1      0.0337200              1.0000000        
P   1
  1      0.0076000              1.0000000        
D   1
  1      1.0268220              1.0000000        
D   1
  1      0.4838920              1.0000000        
D   1
  1      0.2280350              1.0000000        
D   1
  1      0.1074620              1.0000000        
F   1
  1      0.4386940              1.0000000        
F   1
  1      0.2302230              1.0000000        
F   1
  1      0.1208200              1.0000000        
G   1
  1      0.3436160              1.0000000        
G   1
  1      0.1673590              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: B
data:
BORON
S   10
  1  68260.0000000              0.0000240        
  2  10230.0000000              0.0001850        
  3   2328.0000000              0.0009700        
  4    660.4000000              0.0040560        
  5    216.2000000              0.0143990        
  6     78.6000000              0.0439010        
  7     30.9800000              0.1130570        
  8     12.9600000              0.2338250        
  9      5.6590000              0.3539600        
 10      2.5560000              0.3015470        
S   10
  1  68260.0000000             -0.0000050        
  2  10230.0000000             -0.0000370        
  3   2328.0000000             -0.0001960        
  4    660.4000000             -0.0008240        
  5    216.2000000             -0.0029230        
  6     78.6000000             -0.0091380        
  7     30.9800000             -0.0241050        
  8     12.9600000             -0.0547550        
  9      5.6590000             -0.0969430        
 10      2.5560000             -0.1374850        
S   1
  1      1.1750000              1.0000000        
S   1
  1      0.4249000              1.0000000        
S   1
  1      0.1712000              1.0000000        
S   1
  1      0.0691300              1.0000000        
S   1
  1      0.0261000              1.0000000        
P   3
  1     66.4400000              0.0008380        
  2     15.7100000              0.0064090        
  3      4.9360000              0.0280810        
P   1
  1      1.7700000              1.0000000        
P   1
  1      0.7008000              1.0000000        
P   1
  1      0.2901000              1.0000000        
P   1
  1      0.1211000              1.0000000        
P   1
  1      0.0497300              1.0000000        
P   1
  1      0.0157000              1.0000000        
D   1
  1      2.5278000              1.0000000        
D   1
  1      0.9852000              1.0000000        
D   1
  1      0.3840000              1.0000000        
D   1
  1      0.1497000              1.0000000        
F   1
  1      1.1401000              1.0000000        
F   1
  1      0.4313000              1.0000000        
F   1
  1      0.1631000              1.0000000        
G   1
  1      0.9375000              1.0000000        
G   1
  1      0.3306000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: C
data:
CARBON
S   10
  1  96770.0000000              0.0000250        
  2  14500.0000000              0.0001900        
  3   3300.0000000              0.0010000        
  4    935.8000000              0.0041830        
  5    306.2000000              0.0148590        
  6    111.3000000              0.0453010        
  7     43.9000000              0.1165040        
  8     18.4000000              0.2402490        
  9      8.0540000              0.3587990        
 10      3.6370000              0.2939410        
S   10
  1  96770.0000000             -0.0000050        
  2  14500.0000000             -0.0000410        
  3   3300.0000000             -0.0002130        
  4    935.8000000             -0.0008970        
  5    306.2000000             -0.0031870        
  6    111.3000000             -0.0099610        
  7     43.9000000             -0.0263750        
  8     18.4000000             -0.0600010        
  9      8.0540000             -0.1068250        
 10      3.6370000             -0.1441660        
S   1
  1      1.6560000              1.0000000        
S   1
  1      0.6333000              1.0000000        
S   1
  1      0.2545000              1.0000000        
S   1
  1      0.1019000              1.0000000        
S   1
  1      0.0394000              1.0000000        
P   3
  1    101.8000000              0.0008910        
  2     24.0400000              0.0069760        
  3      7.5710000              0.0316690        
P   1
  1      2.7320000              1.0000000        
P   1
  1      1.0850000              1.0000000        
P   1
  1      0.4496000              1.0000000        
P   1
  1      0.1876000              1.0000000        
P   1
  1      0.0760600              1.0000000        
P   1
  1      0.0272000              1.0000000        
D   1
  1      3.7056000              1.0000000        
D   1
  1      1.4212000              1.0000000        
D   1
  1      0.5451000              1.0000000        
D   1
  1      0.2091000              1.0000000        
F   1
  1      1.4438000              1.0000000        
F   1
  1      0.5931000              1.0000000        
F   1
  1      0.2436000              1.0000000        
G   1
  1      1.1825000              1.0000000        
G   1
  1      0.4685000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: N
data:
NITROGEN
S   10
  1 129200.0000000              0.0000250        
  2  19350.0000000              0.0001970        
  3   4404.0000000              0.0010320        
  4   1248.0000000              0.0043250        
  5    408.0000000              0.0153800        
  6    148.2000000              0.0468670        
  7     58.5000000              0.1201160        
  8     24.5900000              0.2456950        
  9     10.8100000              0.3613790        
 10      4.8820000              0.2872830        
S   10
  1 129200.0000000             -0.0000060        
  2  19350.0000000             -0.0000430        
  3   4404.0000000             -0.0002270        
  4   1248.0000000             -0.0009580        
  5    408.0000000             -0.0034160        
  6    148.2000000             -0.0106670        
  7     58.5000000             -0.0282790        
  8     24.5900000             -0.0640200        
  9     10.8100000             -0.1139320        
 10      4.8820000             -0.1469950        
S   1
  1      2.1950000              1.0000000        
S   1
  1      0.8715000              1.0000000        
S   1
  1      0.3504000              1.0000000        
S   1
  1      0.1397000              1.0000000        
S   1
  1      0.0518000              1.0000000        
P   3
  1    147.0000000              0.0008920        
  2     34.7600000              0.0070820        
  3     11.0000000              0.0328160        
P   1
  1      3.9950000              1.0000000        
P   1
  1      1.5870000              1.0000000        
P   1
  1      0.6533000              1.0000000        
P   1
  1      0.2686000              1.0000000        
P   1
  1      0.1067000              1.0000000        
P   1
  1      0.0369000              1.0000000        
D   1
  1      5.9817000              1.0000000        
D   1
  1      2.2056000              1.0000000        
D   1
  1      0.8133000              1.0000000        
D   1
  1      0.2999000              1.0000000        
F   1
  1      2.4728000              1.0000000        
F   1
  1      0.9819000              1.0000000        
F   1
  1      0.3899000              1.0000000        
G   1
  1      1.3975000              1.0000000        
G   1
  1      0.5027000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: O
data:
OXYGEN
S   10
  1 164200.0000000              0.0000260        
  2  24590.0000000              0.0002050        
  3   5592.0000000              0.0010760        
  4   1582.0000000              0.0045220        
  5    516.1000000              0.0161080        
  6    187.2000000              0.0490850        
  7     73.9300000              0.1248570        
  8     31.2200000              0.2516860        
  9     13.8100000              0.3624200        
 10      6.2560000              0.2790510        
S   10
  1 164200.0000000             -0.0000060        
  2  24590.0000000             -0.0000460        
  3   5592.0000000             -0.0002440        
  4   1582.0000000             -0.0010310        
  5    516.1000000             -0.0036880        
  6    187.2000000             -0.0115140        
  7     73.9300000             -0.0304350        
  8     31.2200000             -0.0681470        
  9     13.8100000             -0.1203680        
 10      6.2560000             -0.1482600        
S   1
  1      2.7760000              1.0000000        
S   1
  1      1.1380000              1.0000000        
S   1
  1      0.4600000              1.0000000        
S   1
  1      0.1829000              1.0000000        
S   1
  1      0.0655000              1.0000000        
P   3
  1    195.5000000              0.0009180        
  2     46.1600000              0.0073880        
  3     14.5800000              0.0349580        
P   1
  1      5.2960000              1.0000000        
P   1
  1      2.0940000              1.0000000        
P   1
  1      0.8471000              1.0000000        
P   1
  1      0.3368000              1.0000000        
P   1
  1      0.1285000              1.0000000        
P   1
  1      0.0446000              1.0000000        
D   1
  1      7.6720000              1.0000000        
D   1
  1      2.8205000              1.0000000        
D   1
  1      1.0369000              1.0000000        
D   1
  1      0.3812000              1.0000000        
F   1
  1      3.5028000              1.0000000        
F   1
  1      1.2802000              1.0000000        
F   1
  1      0.4679000              1.0000000        
G   1
  1      1.5880000              1.0000000        
G   1
  1      0.5836000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: F
data:
FLUORINE
S   10
  1 211400.0000000              0.0000260        
  2  31660.0000000              0.0002010        
  3   7202.0000000              0.0010560        
  4   2040.0000000              0.0044320        
  5    666.4000000              0.0157660        
  6    242.0000000              0.0481120        
  7     95.5300000              0.1232320        
  8     40.2300000              0.2515190        
  9     17.7200000              0.3645250        
 10      8.0050000              0.2797660        
S   10
  1 211400.0000000             -0.0000060        
  2  31660.0000000             -0.0000470        
  3   7202.0000000             -0.0002440        
  4   2040.0000000             -0.0010310        
  5    666.4000000             -0.0036830        
  6    242.0000000             -0.0115130        
  7     95.5300000             -0.0306630        
  8     40.2300000             -0.0695720        
  9     17.7200000             -0.1239920        
 10      8.0050000             -0.1502140        
S   1
  1      3.5380000              1.0000000        
S   1
  1      1.4580000              1.0000000        
S   1
  1      0.5887000              1.0000000        
S   1
  1      0.2324000              1.0000000        
S   1
  1      0.0806000              1.0000000        
P   3
  1    241.9000000              0.0010020        
  2     57.1700000              0.0080540        
  3     18.1300000              0.0380480        
P   1
  1      6.6240000              1.0000000        
P   1
  1      2.6220000              1.0000000        
P   1
  1      1.0570000              1.0000000        
P   1
  1      0.4176000              1.0000000        
P   1
  1      0.1574000              1.0000000        
P   1
  1      0.0550000              1.0000000        
D   1
  1      9.2778000              1.0000000        
D   1
  1      3.2485000              1.0000000        
D   1
  1      1.1375000              1.0000000        
D   1
  1      0.3983000              1.0000000        
F   1
  1      4.5969000              1.0000000        
F   1
  1      1.6112000              1.0000000        
F   1
  1      0.5647000              1.0000000        
G   1
  1      2.1149000              1.0000000        
G   1
  1      0.7640000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: Ne
data:
NEON
S   10
  1 262700.0000000              0.0000260        
  2  39350.0000000              0.0002000        
  3   8955.0000000              0.0010500        
  4   2538.0000000              0.0044000        
  5    829.9000000              0.0156490        
  6    301.5000000              0.0477580        
  7    119.0000000              0.1229430        
  8     50.0000000              0.2524830        
  9     21.9800000              0.3663140        
 10      9.8910000              0.2796170        
S   10
  1 262700.0000000             -0.0000060        
  2  39350.0000000             -0.0000470        
  3   8955.0000000             -0.0002470        
  4   2538.0000000             -0.0010380        
  5    829.9000000             -0.0037110        
  6    301.5000000             -0.0115930        
  7    119.0000000             -0.0310860        
  8     50.0000000             -0.0709720        
  9     21.9800000             -0.1272660        
 10      9.8910000             -0.1512310        
S   1
  1      4.3270000              1.0000000        
S   1
  1      1.8040000              1.0000000        
S   1
  1      0.7288000              1.0000000        
S   1
  1      0.2867000              1.0000000        
S   1
  1      0.0957000              1.0000000        
P   3
  1    299.1000000              0.0010380        
  2     70.7300000              0.0083750        
  3     22.4800000              0.0396930        
P   1
  1      8.2460000              1.0000000        
P   1
  1      3.2690000              1.0000000        
P   1
  1      1.3150000              1.0000000        
P   1
  1      0.5158000              1.0000000        
P   1
  1      0.1918000              1.0000000        
P   1
  1      0.0654000              1.0000000        
D   1
  1     11.9220000              1.0000000        
D   1
  1      4.0799000              1.0000000        
D   1
  1      1.3963000              1.0000000        
D   1
  1      0.4778000              1.0000000        
F   1
  1      7.1249000              1.0000000        
F   1
  1      2.3230000              1.0000000        
F   1
  1      0.7574000              1.0000000        
G   1
  1      4.4685000              1.0000000        
G   1
  1      0.9718000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: Na
data:
SODIUM
S   16
  1 2185572.0000000             0.0000020        
  2 327228.4000000              0.0000180        
  3  74466.8400000              0.0000950        
  4  21093.1500000              0.0004010        
  5   6881.8980000              0.0014590        
  6   2484.6960000              0.0047460        
  7    969.2232000              0.0140310        
  8    402.0643000              0.0377330        
  9    175.3545000              0.0907020        
 10     79.6519900              0.1864660        
 11     37.3867200              0.3018370        
 12     18.0019400              0.3238300        
 13      8.7243710              0.1687000        
 14      3.8577150              0.0230830        
 15      1.8156860             -0.0001470        
 16      0.8382540              0.0010990        
S   16
  1 2185572.0000000            -0.0000010        
  2 327228.4000000             -0.0000040        
  3  74466.8400000             -0.0000230        
  4  21093.1500000             -0.0000980        
  5   6881.8980000             -0.0003570        
  6   2484.6960000             -0.0011650        
  7    969.2232000             -0.0034640        
  8    402.0643000             -0.0094950        
  9    175.3545000             -0.0235870        
 10     79.6519900             -0.0523940        
 11     37.3867200             -0.0980280        
 12     18.0019400             -0.1436730        
 13      8.7243710             -0.1022980        
 14      3.8577150              0.1380290        
 15      1.8156860              0.4290060        
 16      0.8382540              0.4478130        
S   15
  1 327228.4000000              0.0000010        
  2  74466.8400000              0.0000030        
  3  21093.1500000              0.0000150        
  4   6881.8980000              0.0000540        
  5   2484.6960000              0.0001750        
  6    969.2232000              0.0005200        
  7    402.0643000              0.0014310        
  8    175.3545000              0.0035540        
  9     79.6519900              0.0079540        
 10     37.3867200              0.0149550        
 11     18.0019400              0.0224720        
 12      8.7243710              0.0162050        
 13      3.8577150             -0.0235500        
 14      1.8156860             -0.0801200        
 15      0.8382540             -0.1129210        
S   1
  1      0.3819350              1.0000000        
S   1
  1      0.0716790              1.0000000        
S   1
  1      0.0339160              1.0000000        
S   1
  1      0.0165250              1.0000000        
S   1
  1      0.0051000              1.0000000        
P   9
  1   1119.5780000              0.0001620        
  2    265.3239000              0.0014080        
  3     85.9955300              0.0075860        
  4     32.5375900              0.0296150        
  5     13.5156500              0.0884770        
  6      5.9668560              0.1955190        
  7      2.7000450              0.3066210        
  8      1.2185120              0.3412420        
  9      0.5421870              0.2296900        
P   9
  1   1119.5780000             -0.0000160        
  2    265.3239000             -0.0001400        
  3     85.9955300             -0.0007540        
  4     32.5375900             -0.0029680        
  5     13.5156500             -0.0089190        
  6      5.9668560             -0.0200290        
  7      2.7000450             -0.0313800        
  8      1.2185120             -0.0364890        
  9      0.5421870             -0.0296250        
P   1
  1      0.2274130              1.0000000        
P   1
  1      0.1330400              1.0000000        
P   1
  1      0.0575770              1.0000000        
P   1
  1      0.0259710              1.0000000        
P   1
  1      0.0119010              1.0000000        
P   1
  1      0.0055000              1.0000000        
D   1
  1      1.5223140              1.0000000        
D   1
  1      0.2353140              1.0000000        
D   1
  1      0.1361410              1.0000000        
D   1
  1      0.0787640              1.0000000        
D   1
  1      0.0455690              1.0000000        
F   1
  1      0.1811270              1.0000000        
F   1
  1      0.1092000              1.0000000        
F   1
  1      0.0658360              1.0000000        
G   1
  1      0.1578580              1.0000000        
G   1
  1      0.0916070              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: Mg
data:
MAGNESIUM
S   16
  1 2968000.0000000             0.0000020        
  2 444300.0000000              0.0000153        
  3 101100.0000000              0.0000807        
  4  28640.0000000              0.0003408        
  5   9343.0000000              0.0012419        
  6   3373.0000000              0.0040412        
  7   1316.0000000              0.0119797        
  8    545.8000000              0.0324253        
  9    238.1000000              0.0789332        
 10    108.2000000              0.1665750        
 11     50.8000000              0.2828710        
 12     24.4800000              0.3318900        
 13     11.9300000              0.2032870        
 14      5.5430000              0.0382897        
 15      2.6750000              0.0003089        
 16      1.2630000              0.0013891        
S   16
  1 2968000.0000000            -0.0000005        
  2 444300.0000000             -0.0000039        
  3 101100.0000000             -0.0000204        
  4  28640.0000000             -0.0000862        
  5   9343.0000000             -0.0003142        
  6   3373.0000000             -0.0010258        
  7   1316.0000000             -0.0030582        
  8    545.8000000             -0.0084106        
  9    238.1000000             -0.0211202        
 10    108.2000000             -0.0476882        
 11     50.8000000             -0.0924119        
 12     24.4800000             -0.1425480        
 13     11.9300000             -0.1261680        
 14      5.5430000              0.0715282        
 15      2.6750000              0.3830390        
 16      1.2630000              0.4901330        
S   16
  1 2968000.0000000             0.0000001        
  2 444300.0000000              0.0000007        
  3 101100.0000000              0.0000039        
  4  28640.0000000              0.0000166        
  5   9343.0000000              0.0000606        
  6   3373.0000000              0.0001973        
  7   1316.0000000              0.0005909        
  8    545.8000000              0.0016190        
  9    238.1000000              0.0040976        
 10    108.2000000              0.0092299        
 11     50.8000000              0.0182168        
 12     24.4800000              0.0282884        
 13     11.9300000              0.0265059        
 14      5.5430000             -0.0172053        
 15      2.6750000             -0.0885917        
 16      1.2630000             -0.1638710        
S   1
  1      0.5883000              1.0000000        
S   1
  1      0.1496000              1.0000000        
S   1
  1      0.0670000              1.0000000        
S   1
  1      0.0295200              1.0000000        
S   1
  1      0.0108000              1.0000000        
P   9
  1   1441.0000000              0.0001524        
  2    341.4000000              0.0013276        
  3    110.7000000              0.0072194        
  4     41.9700000              0.0285205        
  5     17.4900000              0.0865346        
  6      7.7530000              0.1949500        
  7      3.5340000              0.3120510        
  8      1.6140000              0.3484760        
  9      0.7299000              0.2188860        
P   9
  1   1441.0000000             -0.0000241        
  2    341.4000000             -0.0002108        
  3    110.7000000             -0.0011453        
  4     41.9700000             -0.0045642        
  5     17.4900000             -0.0139603        
  6      7.7530000             -0.0321105        
  7      3.5340000             -0.0516217        
  8      1.6140000             -0.0613713        
  9      0.7299000             -0.0442465        
P   1
  1      0.3029000              1.0000000        
P   1
  1      0.1583000              1.0000000        
P   1
  1      0.0819000              1.0000000        
P   1
  1      0.0412300              1.0000000        
P   1
  1      0.0198800              1.0000000        
P   1
  1      0.0071000              1.0000000        
D   1
  1      2.0430440              1.0000000        
D   1
  1      0.3561520              1.0000000        
D   1
  1      0.2040720              1.0000000        
D   1
  1      0.1169320              1.0000000        
D   1
  1      0.0670010              1.0000000        
F   1
  1      0.3323210              1.0000000        
F   1
  1      0.1782230              1.0000000        
F   1
  1      0.0943160              1.0000000        
G   1
  1      0.2675410              1.0000000        
G   1
  1      0.1341470              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: Al
data:
ALUMINUM
S   16
  1 3269000.0000000             0.0000021        
  2 489400.0000000              0.0000166        
  3 111400.0000000              0.0000875        
  4  31560.0000000              0.0003690        
  5  10320.0000000              0.0013390        
  6   3731.0000000              0.0043564        
  7   1456.0000000              0.0128955        
  8    604.1000000              0.0348201        
  9    263.5000000              0.0843530        
 10    119.8000000              0.1759070        
 11     56.3200000              0.2920910        
 12     27.1900000              0.3282200        
 13     13.2600000              0.1869270        
 14      6.0520000              0.0310430        
 15      2.9810000             -0.0005089        
 16      1.4760000              0.0014884        
S   16
  1 3269000.0000000            -0.0000006        
  2 489400.0000000             -0.0000043        
  3 111400.0000000             -0.0000227        
  4  31560.0000000             -0.0000960        
  5  10320.0000000             -0.0003484        
  6   3731.0000000             -0.0011384        
  7   1456.0000000             -0.0033874        
  8    604.1000000             -0.0093151        
  9    263.5000000             -0.0233023        
 10    119.8000000             -0.0523486        
 11     56.3200000             -0.0999499        
 12     27.1900000             -0.1505600        
 13     13.2600000             -0.1191210        
 14      6.0520000              0.1080910        
 15      2.9810000              0.4111290        
 16      1.4760000              0.4572140        
S   16
  1 3269000.0000000             0.0000001        
  2 489400.0000000              0.0000010        
  3 111400.0000000              0.0000053        
  4  31560.0000000              0.0000221        
  5  10320.0000000              0.0000805        
  6   3731.0000000              0.0002625        
  7   1456.0000000              0.0007842        
  8    604.1000000              0.0021504        
  9    263.5000000              0.0054197        
 10    119.8000000              0.0121686        
 11     56.3200000              0.0236823        
 12     27.1900000              0.0360937        
 13     13.2600000              0.0303284        
 14      6.0520000             -0.0309034        
 15      2.9810000             -0.1191260        
 16      1.4760000             -0.2111450        
S   1
  1      0.7334000              1.0000000        
S   1
  1      0.2447000              1.0000000        
S   1
  1      0.1088000              1.0000000        
S   1
  1      0.0467200              1.0000000        
S   1
  1      0.0177000              1.0000000        
P   7
  1   1461.0000000              0.0002086        
  2    346.2000000              0.0018100        
  3    112.2000000              0.0097343        
  4     42.5100000              0.0378266        
  5     17.7200000              0.1108980        
  6      7.8520000              0.2342950        
  7      3.5710000              0.3452450        
P   7
  1   1461.0000000             -0.0000372        
  2    346.2000000             -0.0003286        
  3    112.2000000             -0.0017426        
  4     42.5100000             -0.0069483        
  5     17.7200000             -0.0202807        
  6      7.8520000             -0.0448657        
  7      3.5710000             -0.0643278        
P   1
  1      1.6370000              1.0000000        
P   1
  1      0.7382000              1.0000000        
P   1
  1      0.2577000              1.0000000        
P   1
  1      0.0977300              1.0000000        
P   1
  1      0.0369000              1.0000000        
P   1
  1      0.0115000              1.0000000        
D   1
  1      5.1994000              1.0000000        
D   1
  1      1.4792000              1.0000000        
D   1
  1      0.5997000              1.0000000        
D   1
  1      0.2431000              1.0000000        
D   1
  1      0.0986000              1.0000000        
F   1
  1      0.7833000              1.0000000        
F   1
  1      0.2862000              1.0000000        
F   1
  1      0.1157000              1.0000000        
G   1
  1      0.3765000              1.0000000        
G   1
  1      0.1461000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: Si
data:
SILICON
S   16
  1 3948000.0000000             0.0000020        
  2 591100.0000000              0.0000158        
  3 134500.0000000              0.0000834        
  4  38120.0000000              0.0003514        
  5  12460.0000000              0.0012766        
  6   4504.0000000              0.0041519        
  7   1758.0000000              0.0123030        
  8    729.1000000              0.0333102        
  9    318.0000000              0.0809845        
 10    144.6000000              0.1702900        
 11     67.9700000              0.2868790        
 12     32.8200000              0.3303400        
 13     16.0300000              0.1966020        
 14      7.3960000              0.0354535        
 15      3.6610000             -0.0005352        
 16      1.8230000              0.0016147        
S   16
  1 3948000.0000000            -0.0000005        
  2 591100.0000000             -0.0000042        
  3 134500.0000000             -0.0000222        
  4  38120.0000000             -0.0000936        
  5  12460.0000000             -0.0003401        
  6   4504.0000000             -0.0011106        
  7   1758.0000000             -0.0033088        
  8    729.1000000             -0.0091160        
  9    318.0000000             -0.0228790        
 10    144.6000000             -0.0517119        
 11     67.9700000             -0.0999091        
 12     32.8200000             -0.1527470        
 13     16.0300000             -0.1275080        
 14      7.3960000              0.0946963        
 15      3.6610000              0.4140360        
 16      1.8230000              0.4679340        
S   16
  1 3948000.0000000             0.0000001        
  2 591100.0000000              0.0000011        
  3 134500.0000000              0.0000057        
  4  38120.0000000              0.0000240        
  5  12460.0000000              0.0000872        
  6   4504.0000000              0.0002842        
  7   1758.0000000              0.0008498        
  8    729.1000000              0.0023353        
  9    318.0000000              0.0059047        
 10    144.6000000              0.0133461        
 11     67.9700000              0.0262889        
 12     32.8200000              0.0407426        
 13     16.0300000              0.0361476        
 14      7.3960000             -0.0303923        
 15      3.6610000             -0.1359610        
 16      1.8230000             -0.2501440        
S   1
  1      0.9147000              1.0000000        
S   1
  1      0.3393000              1.0000000        
S   1
  1      0.1500000              1.0000000        
S   1
  1      0.0643800              1.0000000        
S   1
  1      0.0260000              1.0000000        
P   7
  1   1780.0000000              0.0002012        
  2    421.8000000              0.0017494        
  3    136.7000000              0.0094814        
  4     51.8100000              0.0372313        
  5     21.6000000              0.1107630        
  6      9.5630000              0.2379330        
  7      4.3500000              0.3536910        
P   7
  1   1780.0000000             -0.0000427        
  2    421.8000000             -0.0003770        
  3    136.7000000             -0.0020224        
  4     51.8100000             -0.0081283        
  5     21.6000000             -0.0242272        
  6      9.5630000             -0.0543825        
  7      4.3500000             -0.0799051        
P   1
  1      2.0060000              1.0000000        
P   1
  1      0.9205000              1.0000000        
P   1
  1      0.3500000              1.0000000        
P   1
  1      0.1381000              1.0000000        
P   1
  1      0.0533800              1.0000000        
P   1
  1      0.0192000              1.0000000        
D   1
  1      6.8580000              1.0000000        
D   1
  1      1.9557000              1.0000000        
D   1
  1      0.7786000              1.0000000        
D   1
  1      0.3100000              1.0000000        
D   1
  1      0.1234000              1.0000000        
F   1
  1      1.1785000              1.0000000        
F   1
  1      0.3987000              1.0000000        
F   1
  1      0.1632000              1.0000000        
G   1
  1      0.5466000              1.0000000        
G   1
  1      0.2134000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: P
data:
PHOSPHOROUS
S   16
  1 4666000.0000000             0.0000020        
  2 698600.0000000              0.0000153        
  3 159000.0000000              0.0000805        
  4  45040.0000000              0.0003397        
  5  14720.0000000              0.0012329        
  6   5323.0000000              0.0040135        
  7   2076.0000000              0.0119124        
  8    861.1000000              0.0322511        
  9    375.7000000              0.0786643        
 10    170.8000000              0.1664580        
 11     80.2900000              0.2830390        
 12     38.7700000              0.3319420        
 13     18.9300000              0.2033520        
 14      8.7960000              0.0383183        
 15      4.3580000             -0.0003847        
 16      2.1740000              0.0015874        
S   16
  1 4666000.0000000            -0.0000005        
  2 698600.0000000             -0.0000042        
  3 159000.0000000             -0.0000218        
  4  45040.0000000             -0.0000923        
  5  14720.0000000             -0.0003351        
  6   5323.0000000             -0.0010951        
  7   2076.0000000             -0.0032680        
  8    861.1000000             -0.0089995        
  9    375.7000000             -0.0226528        
 10    170.8000000             -0.0514650        
 11     80.2900000             -0.1001860        
 12     38.7700000             -0.1550750        
 13     18.9300000             -0.1338180        
 14      8.7960000              0.0878361        
 15      4.3580000              0.4225810        
 16      2.1740000              0.4748990        
S   16
  1 4666000.0000000             0.0000001        
  2 698600.0000000              0.0000011        
  3 159000.0000000              0.0000060        
  4  45040.0000000              0.0000253        
  5  14720.0000000              0.0000922        
  6   5323.0000000              0.0003006        
  7   2076.0000000              0.0008999        
  8    861.1000000              0.0024735        
  9    375.7000000              0.0062681        
 10    170.8000000              0.0142598        
 11     80.2900000              0.0282769        
 12     38.7700000              0.0445124        
 13     18.9300000              0.0407217        
 14      8.7960000             -0.0301908        
 15      4.3580000             -0.1528940        
 16      2.1740000             -0.2824110        
S   1
  1      1.0950000              1.0000000        
S   1
  1      0.4400000              1.0000000        
S   1
  1      0.1945000              1.0000000        
S   1
  1      0.0837600              1.0000000        
S   1
  1      0.0335000              1.0000000        
P   7
  1   2010.0000000              0.0002159        
  2    476.3000000              0.0018754        
  3    154.4000000              0.0101742        
  4     58.5100000              0.0399856        
  5     24.4000000              0.1185630        
  6     10.8000000              0.2518160        
  7      4.9130000              0.3665650        
P   7
  1   2010.0000000             -0.0000511        
  2    476.3000000             -0.0004484        
  3    154.4000000             -0.0024234        
  4     58.5100000             -0.0096983        
  5     24.4000000             -0.0290965        
  6     10.8000000             -0.0641726        
  7      4.9130000             -0.0945071        
P   1
  1      2.2690000              1.0000000        
P   1
  1      1.0430000              1.0000000        
P   1
  1      0.4313000              1.0000000        
P   1
  1      0.1767000              1.0000000        
P   1
  1      0.0700900              1.0000000        
P   1
  1      0.0253000              1.0000000        
D   1
  1      9.5221000              1.0000000        
D   1
  1      2.7994000              1.0000000        
D   1
  1      1.0799000              1.0000000        
D   1
  1      0.4166000              1.0000000        
D   1
  1      0.1607000              1.0000000        
F   1
  1      1.5054000              1.0000000        
F   1
  1      0.4902000              1.0000000        
F   1
  1      0.2026000              1.0000000        
G   1
  1      0.6431000              1.0000000        
G   1
  1      0.2573000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: S
data:
SULFUR
S   16
  1 5481000.0000000             0.0000019        
  2 820600.0000000              0.0000147        
  3 186700.0000000              0.0000775        
  4  52880.0000000              0.0003272        
  5  17250.0000000              0.0011936        
  6   6226.0000000              0.0038839        
  7   2429.0000000              0.0115336        
  8   1007.0000000              0.0312748        
  9    439.5000000              0.0764387        
 10    199.8000000              0.1627000        
 11     93.9200000              0.2793280        
 12     45.3400000              0.3331450        
 13     22.1500000              0.2098360        
 14     10.3400000              0.0415974        
 15      5.1190000             -0.0004506        
 16      2.5530000              0.0016886        
S   16
  1 5481000.0000000            -0.0000005        
  2 820600.0000000             -0.0000041        
  3 186700.0000000             -0.0000214        
  4  52880.0000000             -0.0000905        
  5  17250.0000000             -0.0003301        
  6   6226.0000000             -0.0010778        
  7   2429.0000000             -0.0032187        
  8   1007.0000000             -0.0088722        
  9    439.5000000             -0.0223771        
 10    199.8000000             -0.0510577        
 11     93.9200000             -0.1002250        
 12     45.3400000             -0.1567950        
 13     22.1500000             -0.1397480        
 14     10.3400000              0.0810059        
 15      5.1190000              0.4308830        
 16      2.5530000              0.4816880        
S   16
  1 5481000.0000000             0.0000002        
  2 820600.0000000              0.0000012        
  3 186700.0000000              0.0000062        
  4  52880.0000000              0.0000262        
  5  17250.0000000              0.0000959        
  6   6226.0000000              0.0003127        
  7   2429.0000000              0.0009363        
  8   1007.0000000              0.0025779        
  9    439.5000000              0.0065412        
 10    199.8000000              0.0149630        
 11     93.9200000              0.0298940        
 12     45.3400000              0.0476946        
 13     22.1500000              0.0449556        
 14     10.3400000             -0.0293009        
 15      5.1190000             -0.1689160        
 16      2.5530000             -0.3110140        
S   1
  1      1.2820000              1.0000000        
S   1
  1      0.5450000              1.0000000        
S   1
  1      0.2411000              1.0000000        
S   1
  1      0.1035000              1.0000000        
S   1
  1      0.0420000              1.0000000        
P   7
  1   2200.0000000              0.0002390        
  2    521.4000000              0.0020769        
  3    169.0000000              0.0112363        
  4     64.0500000              0.0440690        
  5     26.7200000              0.1291680        
  6     11.8300000              0.2690830        
  7      5.3780000              0.3786110        
P   7
  1   2200.0000000             -0.0000609        
  2    521.4000000             -0.0005304        
  3    169.0000000             -0.0028792        
  4     64.0500000             -0.0114397        
  5     26.7200000             -0.0342764        
  6     11.8300000             -0.0735811        
  7      5.3780000             -0.1077820        
P   1
  1      2.4820000              1.0000000        
P   1
  1      1.1160000              1.0000000        
P   1
  1      0.4848000              1.0000000        
P   1
  1      0.2006000              1.0000000        
P   1
  1      0.0795100              1.0000000        
P   1
  1      0.0294000              1.0000000        
D   1
  1     12.6050000              1.0000000        
D   1
  1      3.6852000              1.0000000        
D   1
  1      1.3715000              1.0000000        
D   1
  1      0.5104000              1.0000000        
D   1
  1      0.1900000              1.0000000        
F   1
  1      3.7749000              1.0000000        
F   1
  1      0.7091000              1.0000000        
F   1
  1      0.2737000              1.0000000        
G   1
  1      0.7756000              1.0000000        
G   1
  1      0.3116000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: Cl
data:
CHLORINE
S   16
  1 6410000.0000000             0.0000018        
  2 959600.0000000              0.0000141        
  3 218300.0000000              0.0000742        
  4  61810.0000000              0.0003141        
  5  20140.0000000              0.0011464        
  6   7264.0000000              0.0037389        
  7   2832.0000000              0.0110946        
  8   1175.0000000              0.0301152        
  9    512.6000000              0.0739145        
 10    233.0000000              0.1582580        
 11    109.5000000              0.2747530        
 12     52.8600000              0.3340660        
 13     25.8400000              0.2175890        
 14     12.1700000              0.0457278        
 15      6.0300000             -0.0001347        
 16      3.0120000              0.0016393        
S   16
  1 6410000.0000000            -0.0000005        
  2 959600.0000000             -0.0000040        
  3 218300.0000000             -0.0000208        
  4  61810.0000000             -0.0000881        
  5  20140.0000000             -0.0003217        
  6   7264.0000000             -0.0010528        
  7   2832.0000000             -0.0031418        
  8   1175.0000000             -0.0086636        
  9    512.6000000             -0.0219353        
 10    233.0000000             -0.0502584        
 11    109.5000000             -0.0995414        
 12     52.8600000             -0.1576470        
 13     25.8400000             -0.1460240        
 14     12.1700000              0.0692230        
 15      6.0300000              0.4304120        
 16      3.0120000              0.4908020        
S   16
  1 6410000.0000000             0.0000002        
  2 959600.0000000              0.0000012        
  3 218300.0000000              0.0000063        
  4  61810.0000000              0.0000266        
  5  20140.0000000              0.0000974        
  6   7264.0000000              0.0003184        
  7   2832.0000000              0.0009524        
  8   1175.0000000              0.0026243        
  9    512.6000000              0.0066816        
 10    233.0000000              0.0153595        
 11    109.5000000              0.0309432        
 12     52.8600000              0.0500638        
 13     25.8400000              0.0489782        
 14     12.1700000             -0.0260807        
 15      6.0300000             -0.1784260        
 16      3.0120000             -0.3323240        
S   1
  1      1.5110000              1.0000000        
S   1
  1      0.6604000              1.0000000        
S   1
  1      0.2926000              1.0000000        
S   1
  1      0.1254000              1.0000000        
S   1
  1      0.0479000              1.0000000        
P   7
  1   2548.0000000              0.0002357        
  2    603.7000000              0.0020516        
  3    195.6000000              0.0111543        
  4     74.1500000              0.0439816        
  5     30.9400000              0.1299940        
  6     13.6900000              0.2729590        
  7      6.2290000              0.3836900        
P   7
  1   2548.0000000             -0.0000635        
  2    603.7000000             -0.0005533        
  3    195.6000000             -0.0030280        
  4     74.1500000             -0.0120650        
  5     30.9400000             -0.0366348        
  6     13.6900000             -0.0790764        
  7      6.2290000             -0.1174220        
P   1
  1      2.8780000              1.0000000        
P   1
  1      1.2820000              1.0000000        
P   1
  1      0.5641000              1.0000000        
P   1
  1      0.2348000              1.0000000        
P   1
  1      0.0931200              1.0000000        
P   1
  1      0.0348000              1.0000000        
D   1
  1     15.3850000              1.0000000        
D   1
  1      4.2917000              1.0000000        
D   1
  1      1.5990000              1.0000000        
D   1
  1      0.5957000              1.0000000        
D   1
  1      0.2220000              1.0000000        
F   1
  1      4.6212000              1.0000000        
F   1
  1      0.8242000              1.0000000        
F   1
  1      0.3178000              1.0000000        
G   1
  1      0.8864000              1.0000000        
G   1
  1      0.3618000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: Ar
data:
ARGON
S   16
  1 7401000.0000000             0.0000018        
  2 1108000.0000000             0.0000136        
  3 252100.0000000              0.0000716        
  4  71380.0000000              0.0003030        
  5  23260.0000000              0.0011061        
  6   8390.0000000              0.0036068        
  7   3271.0000000              0.0107134        
  8   1357.0000000              0.0291074        
  9    592.0000000              0.0716617        
 10    269.1000000              0.1541440        
 11    126.5000000              0.2704230        
 12     61.0300000              0.3348620        
 13     29.8600000              0.2243470        
 14     14.1700000              0.0500081        
 15      7.0220000              0.0001497        
 16      3.5110000              0.0021037        
S   16
  1 7401000.0000000            -0.0000005        
  2 1108000.0000000            -0.0000040        
  3 252100.0000000             -0.0000213        
  4  71380.0000000             -0.0000902        
  5  23260.0000000             -0.0003294        
  6   8390.0000000             -0.0010772        
  7   3271.0000000             -0.0032189        
  8   1357.0000000             -0.0088784        
  9    592.0000000             -0.0225545        
 10    269.1000000             -0.0518453        
 11    126.5000000             -0.1037220        
 12     61.0300000             -0.1665950        
 13     29.8600000             -0.1601650        
 14     14.1700000              0.0623654        
 15      7.0220000              0.4655340        
 16      3.5110000              0.5815640        
S   14
  1 252100.0000000              0.0000001        
  2  71380.0000000              0.0000004        
  3  23260.0000000              0.0000015        
  4   8390.0000000              0.0000046        
  5   3271.0000000              0.0000155        
  6   1357.0000000              0.0000407        
  7    592.0000000              0.0001313        
  8    269.1000000              0.0003327        
  9    126.5000000              0.0010667        
 10     61.0300000              0.0025721        
 11     29.8600000              0.0048358        
 12     14.1700000             -0.0038573        
 13      7.0220000             -0.0476125        
 14      3.5110000             -0.1829570        
S   1
  1      1.7580000              1.0000000        
S   1
  1      0.7841000              1.0000000        
S   1
  1      0.3480000              1.0000000        
S   1
  1      0.1491000              1.0000000        
S   1
  1      0.0538000              1.0000000        
P   7
  1   2927.0000000              0.0001883        
  2    693.5000000              0.0016429        
  3    224.7000000              0.0089489        
  4     85.1700000              0.0355111        
  5     35.5300000              0.1051470        
  6     15.7300000              0.2215520        
  7      7.1650000              0.3084120        
P   7
  1   2927.0000000             -0.0001502        
  2    693.5000000             -0.0013093        
  3    224.7000000             -0.0071650        
  4     85.1700000             -0.0285723        
  5     35.5300000             -0.0860158        
  6     15.7300000             -0.1839960        
  7      7.1650000             -0.2658440        
P   1
  1      3.3220000              1.0000000        
P   1
  1      1.4780000              1.0000000        
P   1
  1      0.6552000              1.0000000        
P   1
  1      0.2751000              1.0000000        
P   1
  1      0.1097000              1.0000000        
P   1
  1      0.0402000              1.0000000        
D   1
  1     19.0250000              1.0000000        
D   1
  1      5.3638000              1.0000000        
D   1
  1      1.9687000              1.0000000        
D   1
  1      0.7226000              1.0000000        
D   1
  1      0.2652000              1.0000000        
F   1
  1      6.6618000              1.0000000        
F   1
  1      1.0543000              1.0000000        
F   1
  1      0.3893000              1.0000000        
G   1
  1      1.3268000              1.0000000        
G   1
  1      0.4771000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: H
data:
HYDROGEN
S   3
  1     82.6400000              0.0020131        
  2     12.4100000              0.0153499        
  3      2.8240000              0.0755920        
S   1
  1      0.7977000              1.0000000        
S   1
  1      0.2581000              1.0000000        
S   1
  1      0.0898900              1.0000000        
P   1
  1      2.2920000              1.0000000        
P   1
  1      0.8380000              1.0000000        
P   1
  1      0.2920000              1.0000000        
D   1
  1      2.0620000              1.0000000        
D   1
  1      0.6620000              1.0000000        
F   1
  1      1.3970000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: He
data:
HELIUM
S   4
  1    528.5000000              0.0009592        
  2     79.3100000              0.0072329        
  3     18.0500000              0.0360060        
  4      5.0850000              0.1278065        
S   1
  1      1.6090000              1.0000000        
S   1
  1      0.5363000              1.0000000        
S   1
  1      0.1833000              1.0000000        
P   1
  1      5.9940000              1.0000000        
P   1
  1      1.7450000              1.0000000        
P   1
  1      0.5600000              1.0000000        
D   1
  1      4.2990000              1.0000000        
D   1
  1      1.2230000              1.0000000        
F   1
  1      2.6800000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Li
data:
LITHIUM
S   9
  1   6601.0000000              0.0001428        
  2    989.7000000              0.0009372        
  3    225.7000000              0.0047683        
  4     64.2900000              0.0192504        
  5     21.1800000              0.0631135        
  6      7.7240000              0.1632570        
  7      3.0030000              0.3148261        
  8      1.2120000              0.3938785        
  9      0.4930000              0.1968621        
S   9
  1   6601.0000000             -0.0000223        
  2    989.7000000             -0.0001464        
  3    225.7000000             -0.0007479        
  4     64.2900000             -0.0030295        
  5     21.1800000             -0.0101354        
  6      7.7240000             -0.0271075        
  7      3.0030000             -0.0573626        
  8      1.2120000             -0.0939079        
  9      0.4930000             -0.1210364        
S   1
  1      0.0951500              1.0000000        
S   1
  1      0.0479100              1.0000000        
S   1
  1      0.0222000              1.0000000        
P   3
  1      6.2500000              0.0033908        
  2      1.3700000              0.0193161        
  3      0.3672000              0.0791011        
P   1
  1      0.1192000              1.0000000        
P   1
  1      0.0447400              1.0000000        
P   1
  1      0.0179500              1.0000000        
D   1
  1      0.3440000              1.0000000        
D   1
  1      0.1530000              1.0000000        
D   1
  1      0.0680000              1.0000000        
F   1
  1      0.2460000              1.0000000        
F   1
  1      0.1292000              1.0000000        
G   1
  1      0.2380000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Be
data:
BERYLLIUM
S   9
  1  14630.0000000              0.0001304        
  2   2191.0000000              0.0007604        
  3    498.2000000              0.0038026        
  4    140.9000000              0.0155612        
  5     45.8600000              0.0529953        
  6     16.4700000              0.1458045        
  7      6.3190000              0.3027037        
  8      2.5350000              0.4048329        
  9      1.0350000              0.2222552        
S   9
  1  14630.0000000             -0.0000237        
  2   2191.0000000             -0.0001391        
  3    498.2000000             -0.0006922        
  4    140.9000000             -0.0028756        
  5     45.8600000             -0.0098388        
  6     16.4700000             -0.0286430        
  7      6.3190000             -0.0637779        
  8      2.5350000             -0.1172570        
  9      1.0350000             -0.1210701        
S   1
  1      0.2528000              1.0000000        
S   1
  1      0.1052000              1.0000000        
S   1
  1      0.0426100              1.0000000        
P   3
  1     14.0300000              0.0041084        
  2      3.1680000              0.0256337        
  3      0.9024000              0.1037812        
P   1
  1      0.3036000              1.0000000        
P   1
  1      0.1130000              1.0000000        
P   1
  1      0.0428600              1.0000000        
D   1
  1      1.0720000              1.0000000        
D   1
  1      0.4410000              1.0000000        
D   1
  1      0.1811000              1.0000000        
F   1
  1      0.4810000              1.0000000        
F   1
  1      0.2550000              1.0000000        
G   1
  1      0.4150000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: B
data:
BORON
S   9
  1  23870.0000000              0.0001428        
  2   3575.0000000              0.0007616        
  3    812.8000000              0.0037058        
  4    229.7000000              0.0150963        
  5     74.6900000              0.0516294        
  6     26.8100000              0.1434860        
  7     10.3200000              0.3009872        
  8      4.1780000              0.4033443        
  9      1.7270000              0.2251446        
S   9
  1  23870.0000000             -0.0000288        
  2   3575.0000000             -0.0001545        
  3    812.8000000             -0.0007473        
  4    229.7000000             -0.0030957        
  5     74.6900000             -0.0106287        
  6     26.8100000             -0.0314278        
  7     10.3200000             -0.0710579        
  8      4.1780000             -0.1321386        
  9      1.7270000             -0.1228547        
S   1
  1      0.4704000              1.0000000        
S   1
  1      0.1896000              1.0000000        
S   1
  1      0.0739400              1.0000000        
P   3
  1     22.2600000              0.0051124        
  2      5.0580000              0.0332200        
  3      1.4870000              0.1323136        
P   1
  1      0.5071000              1.0000000        
P   1
  1      0.1812000              1.0000000        
P   1
  1      0.0646300              1.0000000        
D   1
  1      1.1100000              1.0000000        
D   1
  1      0.4020000              1.0000000        
D   1
  1      0.1450000              1.0000000        
F   1
  1      0.8820000              1.0000000        
F   1
  1      0.3110000              1.0000000        
G   1
  1      0.6730000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: C
data:
CARBON
S   9
  1  33980.0000000              0.0001631        
  2   5089.0000000              0.0008131        
  3   1157.0000000              0.0038480        
  4    326.6000000              0.0155770        
  5    106.1000000              0.0532169        
  6     38.1100000              0.1473186        
  7     14.7500000              0.3057064        
  8      6.0350000              0.3990689        
  9      2.5300000              0.2167636        
S   9
  1  33980.0000000             -0.0000347        
  2   5089.0000000             -0.0001740        
  3   1157.0000000             -0.0008193        
  4    326.6000000             -0.0033743        
  5    106.1000000             -0.0115871        
  6     38.1100000             -0.0342621        
  7     14.7500000             -0.0772516        
  8      6.0350000             -0.1415421        
  9      2.5300000             -0.1176683        
S   1
  1      0.7355000              1.0000000        
S   1
  1      0.2905000              1.0000000        
S   1
  1      0.1111000              1.0000000        
P   3
  1     34.5100000              0.0054084        
  2      7.9150000              0.0361681        
  3      2.3680000              0.1425195        
P   1
  1      0.8132000              1.0000000        
P   1
  1      0.2890000              1.0000000        
P   1
  1      0.1007000              1.0000000        
D   1
  1      1.8480000              1.0000000        
D   1
  1      0.6490000              1.0000000        
D   1
  1      0.2280000              1.0000000        
F   1
  1      1.4190000              1.0000000        
F   1
  1      0.4850000              1.0000000        
G   1
  1      1.0110000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: N
data:
NITROGEN
S   9
  1  45840.0000000              0.0001837        
  2   6868.0000000              0.0008652        
  3   1563.0000000              0.0039619        
  4    442.4000000              0.0158295        
  5    144.3000000              0.0535430        
  6     52.1800000              0.1471714        
  7     20.3400000              0.3047729        
  8      8.3810000              0.3973010        
  9      3.5290000              0.2172331        
S   9
  1  45840.0000000             -0.0000405        
  2   6868.0000000             -0.0001916        
  3   1563.0000000             -0.0008729        
  4    442.4000000             -0.0035503        
  5    144.3000000             -0.0120742        
  6     52.1800000             -0.0355377        
  7     20.3400000             -0.0801985        
  8      8.3810000             -0.1467880        
  9      3.5290000             -0.1158517        
S   1
  1      1.0540000              1.0000000        
S   1
  1      0.4118000              1.0000000        
S   1
  1      0.1552000              1.0000000        
P   3
  1     49.3300000              0.0055788        
  2     11.3700000              0.0380245        
  3      3.4350000              0.1490854        
P   1
  1      1.1820000              1.0000000        
P   1
  1      0.4173000              1.0000000        
P   1
  1      0.1428000              1.0000000        
D   1
  1      2.8370000              1.0000000        
D   1
  1      0.9680000              1.0000000        
D   1
  1      0.3350000              1.0000000        
F   1
  1      2.0270000              1.0000000        
F   1
  1      0.6850000              1.0000000        
G   1
  1      1.4270000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: O
data:
OXYGEN
S   9
  1  61420.0000000              0.0001989        
  2   9199.0000000              0.0008884        
  3   2091.0000000              0.0039425        
  4    590.9000000              0.0156072        
  5    192.3000000              0.0529461        
  6     69.3200000              0.1464382        
  7     26.9700000              0.3054148        
  8     11.1000000              0.3979979        
  9      4.6820000              0.2164354        
S   9
  1  61420.0000000             -0.0000452        
  2   9199.0000000             -0.0002026        
  3   2091.0000000             -0.0008948        
  4    590.9000000             -0.0036058        
  5    192.3000000             -0.0123033        
  6     69.3200000             -0.0364684        
  7     26.9700000             -0.0831671        
  8     11.1000000             -0.1521740        
  9      4.6820000             -0.1146271        
S   1
  1      1.4280000              1.0000000        
S   1
  1      0.5547000              1.0000000        
S   1
  1      0.2067000              1.0000000        
P   3
  1     63.4200000              0.0061107        
  2     14.6600000              0.0418957        
  3      4.4590000              0.1612329        
P   1
  1      1.5310000              1.0000000        
P   1
  1      0.5302000              1.0000000        
P   1
  1      0.1750000              1.0000000        
D   1
  1      3.7750000              1.0000000        
D   1
  1      1.3000000              1.0000000        
D   1
  1      0.4440000              1.0000000        
F   1
  1      2.6660000              1.0000000        
F   1
  1      0.8590000              1.0000000        
G   1
  1      1.8460000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: F
data:
FLUORINE
S   9
  1  74530.0000000              0.0002270        
  2  11170.0000000              0.0009782        
  3   2543.0000000              0.0042187        
  4    721.0000000              0.0164262        
  5    235.9000000              0.0549597        
  6     85.6000000              0.1501715        
  7     33.5500000              0.3084373        
  8     13.9300000              0.3941862        
  9      5.9150000              0.2103451        
S   9
  1  74530.0000000             -0.0000526        
  2  11170.0000000             -0.0002277        
  3   2543.0000000             -0.0009777        
  4    721.0000000             -0.0038762        
  5    235.9000000             -0.0130575        
  6     85.6000000             -0.0383358        
  7     33.5500000             -0.0864713        
  8     13.9300000             -0.1559566        
  9      5.9150000             -0.1099779        
S   1
  1      1.8430000              1.0000000        
S   1
  1      0.7124000              1.0000000        
S   1
  1      0.2637000              1.0000000        
P   3
  1     80.3900000              0.0064367        
  2     18.6300000              0.0443407        
  3      5.6940000              0.1686436        
P   1
  1      1.9530000              1.0000000        
P   1
  1      0.6702000              1.0000000        
P   1
  1      0.2166000              1.0000000        
D   1
  1      5.0140000              1.0000000        
D   1
  1      1.7250000              1.0000000        
D   1
  1      0.5860000              1.0000000        
F   1
  1      3.5620000              1.0000000        
F   1
  1      1.1480000              1.0000000        
G   1
  1      2.3760000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Ne
data:
NEON
S   9
  1  99920.0000000              0.0002309        
  2  14960.0000000              0.0009487        
  3   3399.0000000              0.0039528        
  4    958.9000000              0.0152737        
  5    311.2000000              0.0517892        
  6    111.7000000              0.1445869        
  7     43.3200000              0.3048408        
  8     17.8000000              0.3992901        
  9      7.5030000              0.2177599        
S   9
  1  99920.0000000             -0.0000543        
  2  14960.0000000             -0.0002242        
  3   3399.0000000             -0.0009299        
  4    958.9000000             -0.0036578        
  5    311.2000000             -0.0124756        
  6    111.7000000             -0.0373656        
  7     43.3200000             -0.0864225        
  8     17.8000000             -0.1585073        
  9      7.5030000             -0.1131074        
S   1
  1      2.3370000              1.0000000        
S   1
  1      0.9001000              1.0000000        
S   1
  1      0.3301000              1.0000000        
P   3
  1     99.6800000              0.0066835        
  2     23.1500000              0.0461632        
  3      7.1080000              0.1735949        
P   1
  1      2.4410000              1.0000000        
P   1
  1      0.8339000              1.0000000        
P   1
  1      0.2662000              1.0000000        
D   1
  1      6.4710000              1.0000000        
D   1
  1      2.2130000              1.0000000        
D   1
  1      0.7470000              1.0000000        
F   1
  1      4.6570000              1.0000000        
F   1
  1      1.5240000              1.0000000        
G   1
  1      2.9830000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Na
data:
SODIUM
S   16
  1 1224000.0000000             0.0000384        
  2 183200.0000000              0.0001214        
  3  41700.0000000              0.0003735        
  4  11810.0000000              0.0011226        
  5   3853.0000000              0.0034243        
  6   1391.0000000              0.0102715        
  7    542.5000000              0.0289918        
  8    224.9000000              0.0741036        
  9     97.9300000              0.1636649        
 10     44.3100000              0.2887998        
 11     20.6500000              0.3459070        
 12      9.7290000              0.2058713        
 13      4.2280000              0.0325950        
 14      1.9690000             -0.0006392        
 15      0.8890000              0.0014474        
 16      0.3964000             -0.0001751        
S   16
  1 1224000.0000000            -0.0000094        
  2 183200.0000000             -0.0000297        
  3  41700.0000000             -0.0000916        
  4  11810.0000000             -0.0002753        
  5   3853.0000000             -0.0008427        
  6   1391.0000000             -0.0025382        
  7    542.5000000             -0.0072706        
  8    224.9000000             -0.0190949        
  9     97.9300000             -0.0450056        
 10     44.3100000             -0.0901063        
 11     20.6500000             -0.1429400        
 12      9.7290000             -0.1232733        
 13      4.2280000              0.1016495        
 14      1.9690000              0.4178921        
 15      0.8890000              0.4740231        
 16      0.3964000              0.1619561        
S   16
  1 1224000.0000000             0.0000014        
  2 183200.0000000              0.0000045        
  3  41700.0000000              0.0000138        
  4  11810.0000000              0.0000414        
  5   3853.0000000              0.0001269        
  6   1391.0000000              0.0003813        
  7    542.5000000              0.0010962        
  8    224.9000000              0.0028743        
  9     97.9300000              0.0068266        
 10     44.3100000              0.0137060        
 11     20.6500000              0.0222733        
 12      9.7290000              0.0194615        
 13      4.2280000             -0.0171479        
 14      1.9690000             -0.0774282        
 15      0.8890000             -0.1139147        
 16      0.3964000             -0.1380056        
S   1
  1      0.0699300              1.0000000        
S   1
  1      0.0328900              1.0000000        
S   1
  1      0.0161200              1.0000000        
P   9
  1    413.4000000              0.0009678        
  2     97.9800000              0.0075358        
  3     31.3700000              0.0359650        
  4     11.6200000              0.1187550        
  5      4.6710000              0.2614638        
  6      1.9180000              0.3782233        
  7      0.7775000              0.3344927        
  8      0.3013000              0.1267953        
  9      0.2275000             -0.0146216        
P   9
  1    413.4000000             -0.0000961        
  2     97.9800000             -0.0007513        
  3     31.3700000             -0.0035957        
  4     11.6200000             -0.0120397        
  5      4.6710000             -0.0267252        
  6      1.9180000             -0.0392593        
  7      0.7775000             -0.0375978        
  8      0.3013000             -0.0433062        
  9      0.2275000              0.0518049        
P   1
  1      0.0752700              1.0000000        
P   1
  1      0.0312600              1.0000000        
P   1
  1      0.0134200              1.0000000        
D   1
  1      0.1538000              1.0000000        
D   1
  1      0.0865000              1.0000000        
D   1
  1      0.0487000              1.0000000        
F   1
  1      0.1912000              1.0000000        
F   1
  1      0.1036000              1.0000000        
G   1
  1      0.1722000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Mg
data:
MAGNESIUM
S   13
  1 327600.0000000              0.0001374        
  2  49050.0000000              0.0004833        
  3  11150.0000000              0.0017106        
  4   3152.0000000              0.0059767        
  5   1025.0000000              0.0199746        
  6    368.8000000              0.0599650        
  7    143.2000000              0.1525833        
  8     58.9600000              0.3010112        
  9     25.4000000              0.3799765        
 10     11.1500000              0.2123223        
 11      4.0040000              0.0229431        
 12      1.7010000             -0.0022859        
 13      0.7060000              0.0012788        
S   13
  1 327600.0000000             -0.0000349        
  2  49050.0000000             -0.0001225        
  3  11150.0000000             -0.0004355        
  4   3152.0000000             -0.0015201        
  5   1025.0000000             -0.0051629        
  6    368.8000000             -0.0157370        
  7    143.2000000             -0.0428686        
  8     58.9600000             -0.0945231        
  9     25.4000000             -0.1634933        
 10     11.1500000             -0.1230493        
 11      4.0040000              0.2381350        
 12      1.7010000              0.5772301        
 13      0.7060000              0.3329505        
S   13
  1 327600.0000000              0.0000067        
  2  49050.0000000              0.0000236        
  3  11150.0000000              0.0000839        
  4   3152.0000000              0.0002930        
  5   1025.0000000              0.0009960        
  6    368.8000000              0.0030394        
  7    143.2000000              0.0083179        
  8     58.9600000              0.0184823        
  9     25.4000000              0.0327037        
 10     11.1500000              0.0253174        
 11      4.0040000             -0.0540287        
 12      1.7010000             -0.1574594        
 13      0.7060000             -0.2052544        
S   1
  1      0.1410000              1.0000000        
S   1
  1      0.0680800              1.0000000        
S   1
  1      0.0306300              1.0000000        
P   9
  1    539.6000000              0.0009048        
  2    127.9000000              0.0070359        
  3     41.0200000              0.0340630        
  4     15.2500000              0.1147194        
  5      6.1660000              0.2596377        
  6      2.5610000              0.3849025        
  7      1.0600000              0.3351348        
  8      0.4176000              0.1105931        
  9      0.2690000             -0.0120673        
P   9
  1    539.6000000             -0.0001429        
  2    127.9000000             -0.0011146        
  3     41.0200000             -0.0054224        
  4     15.2500000             -0.0185437        
  5      6.1660000             -0.0426194        
  6      2.5610000             -0.0644771        
  7      1.0600000             -0.0626349        
  8      0.4176000             -0.0244757        
  9      0.2690000              0.1040184        
P   1
  1      0.1223000              1.0000000        
P   1
  1      0.0547600              1.0000000        
P   1
  1      0.0238800              1.0000000        
D   1
  1      0.1060000              1.0000000        
D   1
  1      0.1944000              1.0000000        
D   1
  1      0.3570000              1.0000000        
F   1
  1      0.1810000              1.0000000        
F   1
  1      0.3590000              1.0000000        
G   1
  1      0.3070000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   13
  1 419600.0000000              0.0001389        
  2  62830.0000000              0.0004753        
  3  14290.0000000              0.0016292        
  4   4038.0000000              0.0055290        
  5   1312.0000000              0.0182635        
  6    470.5000000              0.0551514        
  7    181.8000000              0.1426944        
  8     74.4600000              0.2897463        
  9     31.9000000              0.3835431        
 10     13.9600000              0.2312693        
 11      5.1800000              0.0290679        
 12      2.2650000             -0.0029729        
 13      0.9664000              0.0016503        
S   13
  1 419600.0000000             -0.0000362        
  2  62830.0000000             -0.0001241        
  3  14290.0000000             -0.0004267        
  4   4038.0000000             -0.0014484        
  5   1312.0000000             -0.0048507        
  6    470.5000000             -0.0148872        
  7    181.8000000             -0.0409761        
  8     74.4600000             -0.0928521        
  9     31.9000000             -0.1646399        
 10     13.9600000             -0.1393633        
 11      5.1800000              0.1984186        
 12      2.2650000              0.5723849        
 13      0.9664000              0.3712390        
S   13
  1 419600.0000000              0.0000084        
  2  62830.0000000              0.0000286        
  3  14290.0000000              0.0000986        
  4   4038.0000000              0.0003344        
  5   1312.0000000              0.0011225        
  6    470.5000000              0.0034429        
  7    181.8000000              0.0095440        
  8     74.4600000              0.0217412        
  9     31.9000000              0.0396522        
 10     13.9600000              0.0343707        
 11      5.1800000             -0.0536225        
 12      2.2650000             -0.1927024        
 13      0.9664000             -0.2522909        
S   1
  1      0.2447000              1.0000000        
S   1
  1      0.1184000              1.0000000        
S   1
  1      0.0502100              1.0000000        
P   8
  1    891.3000000              0.0005579        
  2    211.3000000              0.0042974        
  3     68.2800000              0.0215372        
  4     25.7000000              0.0767988        
  5     10.6300000              0.1945799        
  6      4.6020000              0.3343660        
  7      2.0150000              0.3746890        
  8      0.8706000              0.2038459        
P   8
  1    891.3000000             -0.0001007        
  2    211.3000000             -0.0007704        
  3     68.2800000             -0.0039192        
  4     25.7000000             -0.0139974        
  5     10.6300000             -0.0367111        
  6      4.6020000             -0.0627027        
  7      2.0150000             -0.0788205        
  8      0.8706000             -0.0286871        
P   1
  1      0.2972000              1.0000000        
P   1
  1      0.1100000              1.0000000        
P   1
  1      0.0398900              1.0000000        
D   1
  1      0.0804000              1.0000000        
D   1
  1      0.1990000              1.0000000        
D   1
  1      0.4940000              1.0000000        
F   1
  1      0.1540000              1.0000000        
F   1
  1      0.4010000              1.0000000        
G   1
  1      0.3570000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Si
data:
SILICON
S   13
  1 513000.0000000              0.0001438        
  2  76820.0000000              0.0004823        
  3  17470.0000000              0.0016122        
  4   4935.0000000              0.0053396        
  5   1602.0000000              0.0174067        
  6    574.1000000              0.0524374        
  7    221.5000000              0.1367697        
  8     90.5400000              0.2819429        
  9     38.7400000              0.3839309        
 10     16.9500000              0.2437420        
 11      6.4520000              0.0339535        
 12      2.8740000             -0.0033064        
 13      1.2500000              0.0018550        
S   13
  1 513000.0000000             -0.0000384        
  2  76820.0000000             -0.0001290        
  3  17470.0000000             -0.0004325        
  4   4935.0000000             -0.0014340        
  5   1602.0000000             -0.0047331        
  6    574.1000000             -0.0145011        
  7    221.5000000             -0.0400944        
  8     90.5400000             -0.0921542        
  9     38.7400000             -0.1657971        
 10     16.9500000             -0.1503143        
 11      6.4520000              0.1721760        
 12      2.8740000              0.5693971        
 13      1.2500000              0.3947389        
S   13
  1 513000.0000000              0.0000099        
  2  76820.0000000              0.0000330        
  3  17470.0000000              0.0001109        
  4   4935.0000000              0.0003672        
  5   1602.0000000              0.0012158        
  6    574.1000000              0.0037197        
  7    221.5000000              0.0103715        
  8     90.5400000              0.0239422        
  9     38.7400000              0.0444389        
 10     16.9500000              0.0412255        
 11      6.4520000             -0.0513350        
 12      2.8740000             -0.2176605        
 13      1.2500000             -0.2841831        
S   1
  1      0.3599000              1.0000000        
S   1
  1      0.1699000              1.0000000        
S   1
  1      0.0706600              1.0000000        
P   8
  1   1122.0000000              0.0005232        
  2    266.0000000              0.0039764        
  3     85.9200000              0.0201449        
  4     32.3300000              0.0731848        
  5     13.3700000              0.1902497        
  6      5.8000000              0.3356425        
  7      2.5590000              0.3789449        
  8      1.1240000              0.2008937        
P   8
  1   1122.0000000             -0.0001125        
  2    266.0000000             -0.0008461        
  3     85.9200000             -0.0043718        
  4     32.3300000             -0.0158505        
  5     13.3700000             -0.0430226        
  6      5.8000000             -0.0751907        
  7      2.5590000             -0.0969744        
  8      1.1240000             -0.0224752        
P   1
  1      0.3988000              1.0000000        
P   1
  1      0.1533000              1.0000000        
P   1
  1      0.0572800              1.0000000        
D   1
  1      0.1200000              1.0000000        
D   1
  1      0.3020000              1.0000000        
D   1
  1      0.7600000              1.0000000        
F   1
  1      0.2120000              1.0000000        
F   1
  1      0.5410000              1.0000000        
G   1
  1      0.4610000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: P
data:
PHOSPHOROUS
S   13
  1 615200.0000000              0.0001494        
  2  92120.0000000              0.0004927        
  3  20950.0000000              0.0016113        
  4   5920.0000000              0.0052114        
  5   1922.0000000              0.0167435        
  6    688.0000000              0.0503603        
  7    265.0000000              0.1319373        
  8    108.2000000              0.2753508        
  9     46.2200000              0.3838728        
 10     20.2300000              0.2536762        
 11      7.8590000              0.0386519        
 12      3.5470000             -0.0036276        
 13      1.5640000              0.0020548        
S   13
  1 615200.0000000             -0.0000408        
  2  92120.0000000             -0.0001345        
  3  20950.0000000             -0.0004412        
  4   5920.0000000             -0.0014294        
  5   1922.0000000             -0.0046453        
  6    688.0000000             -0.0142168        
  7    265.0000000             -0.0393765        
  8    108.2000000             -0.0915378        
  9     46.2200000             -0.1668405        
 10     20.2300000             -0.1589841        
 11      7.8590000              0.1510834        
 12      3.5470000              0.5670363        
 13      1.5640000              0.4125417        
S   13
  1 615200.0000000              0.0000112        
  2  92120.0000000              0.0000370        
  3  20950.0000000              0.0001213        
  4   5920.0000000              0.0003925        
  5   1922.0000000              0.0012800        
  6    688.0000000              0.0039107        
  7    265.0000000              0.0109296        
  8    108.2000000              0.0255132        
  9     46.2200000              0.0480500        
 10     20.2300000              0.0468949        
 11      7.8590000             -0.0480519        
 12      3.5470000             -0.2363588        
 13      1.5640000             -0.3085593        
S   1
  1      0.4888000              1.0000000        
S   1
  1      0.2266000              1.0000000        
S   1
  1      0.0933100              1.0000000        
P   8
  1   1367.0000000              0.0005063        
  2    324.0000000              0.0037938        
  3    104.6000000              0.0193127        
  4     39.3700000              0.0711381        
  5     16.2600000              0.1886840        
  6      7.0560000              0.3387104        
  7      3.1300000              0.3814251        
  8      1.3940000              0.1948542        
P   8
  1   1367.0000000             -0.0001211        
  2    324.0000000             -0.0008984        
  3    104.6000000             -0.0046649        
  4     39.3700000             -0.0171725        
  5     16.2600000             -0.0476350        
  6      7.0560000             -0.0852209        
  7      3.1300000             -0.1094597        
  8      1.3940000             -0.0157089        
P   1
  1      0.5179000              1.0000000        
P   1
  1      0.2032000              1.0000000        
P   1
  1      0.0769800              1.0000000        
D   1
  1      0.1650000              1.0000000        
D   1
  1      0.4130000              1.0000000        
D   1
  1      1.0360000              1.0000000        
F   1
  1      0.2800000              1.0000000        
F   1
  1      0.7030000              1.0000000        
G   1
  1      0.5970000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: S
data:
SULFUR
S   13
  1 727800.0000000              0.0001554        
  2 109000.0000000              0.0005046        
  3  24800.0000000              0.0016175        
  4   7014.0000000              0.0051117        
  5   2278.0000000              0.0161905        
  6    814.7000000              0.0484992        
  7    313.4000000              0.1276676        
  8    127.7000000              0.2694767        
  9     54.4800000              0.3831611        
 10     23.8500000              0.2627392        
 11      9.4280000              0.0431322        
 12      4.2900000             -0.0037264        
 13      1.9090000              0.0021479        
S   13
  1 727800.0000000             -0.0000432        
  2 109000.0000000             -0.0001403        
  3  24800.0000000             -0.0004508        
  4   7014.0000000             -0.0014279        
  5   2278.0000000             -0.0045711        
  6    814.7000000             -0.0139376        
  7    313.4000000             -0.0386964        
  8    127.7000000             -0.0908910        
  9     54.4800000             -0.1674364        
 10     23.8500000             -0.1666169        
 11      9.4280000              0.1328293        
 12      4.2900000              0.5655083        
 13      1.9090000              0.4272415        
S   13
  1 727800.0000000              0.0000125        
  2 109000.0000000              0.0000407        
  3  24800.0000000              0.0001310        
  4   7014.0000000              0.0004143        
  5   2278.0000000              0.0013314        
  6    814.7000000              0.0040511        
  7    313.4000000              0.0113555        
  8    127.7000000              0.0267755        
  9     54.4800000              0.0510364        
 10     23.8500000              0.0520469        
 11      9.4280000             -0.0442967        
 12      4.2900000             -0.2526072        
 13      1.9090000             -0.3297678        
S   1
  1      0.6270000              1.0000000        
S   1
  1      0.2873000              1.0000000        
S   1
  1      0.1172000              1.0000000        
P   8
  1   1546.0000000              0.0005420        
  2    366.4000000              0.0039949        
  3    118.4000000              0.0203053        
  4     44.5300000              0.0749103        
  5     18.3800000              0.1979599        
  6      7.9650000              0.3518386        
  7      3.5410000              0.3780259        
  8      1.5910000              0.1704564        
P   8
  1   1546.0000000             -0.0001388        
  2    366.4000000             -0.0010148        
  3    118.4000000             -0.0052563        
  4     44.5300000             -0.0194496        
  5     18.3800000             -0.0537531        
  6      7.9650000             -0.0959730        
  7      3.5410000             -0.1178745        
  8      1.5910000              0.0097800        
P   1
  1      0.6205000              1.0000000        
P   1
  1      0.2420000              1.0000000        
P   1
  1      0.0901400              1.0000000        
D   1
  1      0.2030000              1.0000000        
D   1
  1      0.5040000              1.0000000        
D   1
  1      1.2500000              1.0000000        
F   1
  1      0.3350000              1.0000000        
F   1
  1      0.8690000              1.0000000        
G   1
  1      0.6830000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   13
  1 834900.0000000              0.0001641        
  2 125000.0000000              0.0005267        
  3  28430.0000000              0.0016638        
  4   8033.0000000              0.0051711        
  5   2608.0000000              0.0161450        
  6    933.9000000              0.0478990        
  7    360.0000000              0.1256947        
  8    147.0000000              0.2655995        
  9     62.8800000              0.3811966        
 10     27.6000000              0.2679211        
 11     11.0800000              0.0464082        
 12      5.0750000             -0.0036484        
 13      2.2780000              0.0021529        
S   13
  1 834900.0000000             -0.0000463        
  2 125000.0000000             -0.0001487        
  3  28430.0000000             -0.0004710        
  4   8033.0000000             -0.0014677        
  5   2608.0000000             -0.0046298        
  6    933.9000000             -0.0139887        
  7    360.0000000             -0.0386727        
  8    147.0000000             -0.0909250        
  9     62.8800000             -0.1680822        
 10     27.6000000             -0.1717136        
 11     11.0800000              0.1206631        
 12      5.0750000              0.5645474        
 13      2.2780000              0.4364054        
S   13
  1 834900.0000000              0.0000140        
  2 125000.0000000              0.0000450        
  3  28430.0000000              0.0001427        
  4   8033.0000000              0.0004439        
  5   2608.0000000              0.0014057        
  6    933.9000000              0.0042378        
  7    360.0000000              0.0118341        
  8    147.0000000              0.0279279        
  9     62.8800000              0.0534861        
 10     27.6000000              0.0560161        
 11     11.0800000             -0.0416406        
 12      5.0750000             -0.2664792        
 13      2.2780000             -0.3452430        
S   1
  1      0.7775000              1.0000000        
S   1
  1      0.3527000              1.0000000        
S   1
  1      0.1431000              1.0000000        
P   8
  1   1703.0000000              0.0005937        
  2    403.6000000              0.0043262        
  3    130.3000000              0.0218990        
  4     49.0500000              0.0803025        
  5     20.2600000              0.2096664        
  6      8.7870000              0.3648911        
  7      3.9190000              0.3708910        
  8      1.7650000              0.1457674        
P   8
  1   1703.0000000             -0.0001606        
  2    403.6000000             -0.0011649        
  3    130.3000000             -0.0059897        
  4     49.0500000             -0.0221645        
  5     20.2600000             -0.0603359        
  6      8.7870000             -0.1068579        
  7      3.9190000             -0.1220136        
  8      1.7650000              0.0390608        
P   1
  1      0.7207000              1.0000000        
P   1
  1      0.2839000              1.0000000        
P   1
  1      0.1060000              1.0000000        
D   1
  1      0.2540000              1.0000000        
D   1
  1      0.6280000              1.0000000        
D   1
  1      1.5510000              1.0000000        
F   1
  1      0.4230000              1.0000000        
F   1
  1      1.0890000              1.0000000        
G   1
  1      0.8270000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Ar
data:
ARGON
S   13
  1 950600.0000000              0.0001729        
  2 142300.0000000              0.0005491        
  3  32360.0000000              0.0017106        
  4   9145.0000000              0.0052236        
  5   2970.0000000              0.0160867        
  6   1064.0000000              0.0473162        
  7    410.8000000              0.1237533        
  8    168.0000000              0.2620152        
  9     71.9900000              0.3794265        
 10     31.6700000              0.2726419        
 11     12.8900000              0.0496374        
 12      5.9290000             -0.0035227        
 13      2.6780000              0.0021435        
S   13
  1 950600.0000000             -0.0000494        
  2 142300.0000000             -0.0001572        
  3  32360.0000000             -0.0004909        
  4   9145.0000000             -0.0015035        
  5   2970.0000000             -0.0046766        
  6   1064.0000000             -0.0140154        
  7    410.8000000             -0.0385750        
  8    168.0000000             -0.0908526        
  9     71.9900000             -0.1685476        
 10     31.6700000             -0.1762288        
 11     12.8900000              0.1095078        
 12      5.9290000              0.5638908        
 13      2.6780000              0.4444235        
S   13
  1 950600.0000000              0.0000155        
  2 142300.0000000              0.0000491        
  3  32360.0000000              0.0001536        
  4   9145.0000000              0.0004697        
  5   2970.0000000              0.0014670        
  6   1064.0000000              0.0043862        
  7    410.8000000              0.0121987        
  8    168.0000000              0.0288360        
  9     71.9900000              0.0554744        
 10     31.6700000              0.0594865        
 11     12.8900000             -0.0387248        
 12      5.9290000             -0.2779522        
 13      2.6780000             -0.3580799        
S   1
  1      0.9416000              1.0000000        
S   1
  1      0.4239000              1.0000000        
S   1
  1      0.1714000              1.0000000        
P   8
  1   1890.0000000              0.0006345        
  2    447.8000000              0.0045580        
  3    144.6000000              0.0229891        
  4     54.4600000              0.0840762        
  5     22.5100000              0.2179697        
  6      9.7740000              0.3744141        
  7      4.3680000              0.3654219        
  8      1.9590000              0.1286601        
P   8
  1   1890.0000000             -0.0001777        
  2    447.8000000             -0.0012754        
  3    144.6000000             -0.0065156        
  4     54.4600000             -0.0241765        
  5     22.5100000             -0.0651679        
  6      9.7740000             -0.1153641        
  7      4.3680000             -0.1230461        
  8      1.9590000              0.0657576        
P   1
  1      0.8260000              1.0000000        
P   1
  1      0.3297000              1.0000000        
P   1
  1      0.1242000              1.0000000        
D   1
  1      0.3110000              1.0000000        
D   1
  1      0.7630000              1.0000000        
D   1
  1      1.8730000              1.0000000        
F   1
  1      0.5430000              1.0000000        
F   1
  1      1.3250000              1.0000000        
G   1
  1      1.0070000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   21
  1 8417909.0000000             0.0000450        
  2 1260312.0000000             0.0001300        
  3 286798.4000000              0.0003520        
  4  81234.6900000              0.0008820        
  5  26503.1100000              0.0021990        
  6   9568.7010000              0.0055320        
  7   3732.4970000              0.0140830        
  8   1548.4220000              0.0350930        
  9    675.5420000              0.0814300        
 10    307.2522000              0.1645690        
 11    144.6672000              0.2626320        
 12     70.0438700              0.2731620        
 13     34.3225000              0.1412160        
 14     15.6122400              0.0704600        
 15      7.7437220              0.1249190        
 16      3.8442600              0.0881650        
 17      1.7197660              0.0113260        
 18      0.8325230             -0.0004190        
 19      0.3855640              0.0001250        
 20      0.0967000             -0.0000430        
 21      0.0477780              0.0000400        
S   21
  1 8417909.0000000            -0.0000260        
  2 1260312.0000000            -0.0000750        
  3 286798.4000000             -0.0002020        
  4  81234.6900000             -0.0005070        
  5  26503.1100000             -0.0012640        
  6   9568.7010000             -0.0031910        
  7   3732.4970000             -0.0081610        
  8   1548.4220000             -0.0206010        
  9    675.5420000             -0.0489160        
 10    307.2522000             -0.1043990        
 11    144.6672000             -0.1854760        
 12     70.0438700             -0.2443340        
 13     34.3225000             -0.1538870        
 14     15.6122400              0.1868870        
 15      7.7437220              0.5333670        
 16      3.8442600              0.3687560        
 17      1.7197660              0.0495060        
 18      0.8325230             -0.0039720        
 19      0.3855640              0.0001950        
 20      0.0967000             -0.0003590        
 21      0.0477780              0.0002880        
S   21
  1 8417909.0000000             0.0000050        
  2 1260312.0000000             0.0000150        
  3 286798.4000000              0.0000400        
  4  81234.6900000              0.0001000        
  5  26503.1100000              0.0002490        
  6   9568.7010000              0.0006330        
  7   3732.4970000              0.0016220        
  8   1548.4220000              0.0041490        
  9    675.5420000              0.0100150        
 10    307.2522000              0.0224020        
 11    144.6672000              0.0427710        
 12     70.0438700              0.0651430        
 13     34.3225000              0.0450750        
 14     15.6122400             -0.0858650        
 15      7.7437220             -0.3310660        
 16      3.8442600             -0.3584680        
 17      1.7197660              0.2210450        
 18      0.8325230              0.6853970        
 19      0.3855640              0.3601480        
 20      0.0967000              0.0191690        
 21      0.0477780             -0.0058640        
S   21
  1 8417909.0000000            -0.0000010        
  2 1260312.0000000            -0.0000040        
  3 286798.4000000             -0.0000100        
  4  81234.6900000             -0.0000240        
  5  26503.1100000             -0.0000600        
  6   9568.7010000             -0.0001530        
  7   3732.4970000             -0.0003920        
  8   1548.4220000             -0.0010030        
  9    675.5420000             -0.0024210        
 10    307.2522000             -0.0054190        
 11    144.6672000             -0.0103610        
 12     70.0438700             -0.0158320        
 13     34.3225000             -0.0110030        
 14     15.6122400              0.0211590        
 15      7.7437220              0.0853750        
 16      3.8442600              0.0964150        
 17      1.7197660             -0.0709410        
 18      0.8325230             -0.2398400        
 19      0.3855640             -0.2720170        
 20      0.0967000              0.3127010        
 21      0.0477780              0.6137670        
S   21
  1 8417909.0000000            -0.0000020        
  2 1260312.0000000            -0.0000060        
  3 286798.4000000             -0.0000170        
  4  81234.6900000             -0.0000420        
  5  26503.1100000             -0.0001030        
  6   9568.7010000             -0.0002720        
  7   3732.4970000             -0.0006550        
  8   1548.4220000             -0.0018210        
  9    675.5420000             -0.0039590        
 10    307.2522000             -0.0101080        
 11    144.6672000             -0.0162010        
 12     70.0438700             -0.0318930        
 13     34.3225000             -0.0102390        
 14     15.6122400              0.0155450        
 15      7.7437220              0.2031530        
 16      3.8442600              0.0891500        
 17      1.7197660              0.0262840        
 18      0.8325230             -0.9642330        
 19      0.3855640              0.2264090        
 20      0.0967000              2.0955710        
 21      0.0477780             -1.1942840        
S   21
  1 8417909.0000000            -0.0000030        
  2 1260312.0000000            -0.0000100        
  3 286798.4000000             -0.0000260        
  4  81234.6900000             -0.0000670        
  5  26503.1100000             -0.0001600        
  6   9568.7010000             -0.0004350        
  7   3732.4970000             -0.0010050        
  8   1548.4220000             -0.0029490        
  9    675.5420000             -0.0059720        
 10    307.2522000             -0.0166370        
 11    144.6672000             -0.0236840        
 12     70.0438700             -0.0549230        
 13     34.3225000             -0.0072170        
 14     15.6122400              0.0034090        
 15      7.7437220              0.3895120        
 16      3.8442600              0.0925470        
 17      1.7197660             -0.0164440        
 18      0.8325230             -2.3078390        
 19      0.3855640              2.7174500        
 20      0.0967000              0.0384980        
 21      0.0477780             -2.5297130        
S   21
  1 8417909.0000000            -0.0000040        
  2 1260312.0000000            -0.0000100        
  3 286798.4000000             -0.0000280        
  4  81234.6900000             -0.0000700        
  5  26503.1100000             -0.0001810        
  6   9568.7010000             -0.0004320        
  7   3732.4970000             -0.0012120        
  8   1548.4220000             -0.0027520        
  9    675.5420000             -0.0077240        
 10    307.2522000             -0.0142930        
 11    144.6672000             -0.0351350        
 12     70.0438700             -0.0368140        
 13     34.3225000             -0.0559630        
 14     15.6122400              0.1117600        
 15      7.7437220              0.2141660        
 16      3.8442600              0.6131590        
 17      1.7197660             -1.4758760        
 18      0.8325230             -0.6976530        
 19      0.3855640              2.9768830        
 20      0.0967000             -5.7468710        
 21      0.0477780              6.9531630        
S   1
  1      0.0223630              1.0000000        
P   17
  1  22640.9700000              0.0000390        
  2   5357.5450000              0.0001730        
  3   1740.3730000              0.0007840        
  4    666.6163000              0.0031410        
  5    283.6384000              0.0111150        
  6    129.7976000              0.0338110        
  7     62.6795600              0.0871300        
  8     31.5044100              0.1810660        
  9     16.2352500              0.2894700        
 10      8.5183240              0.3269550        
 11      4.5190050              0.2089190        
 12      2.3665910              0.0541810        
 13      1.2152350              0.0016720        
 14      0.6143480             -0.0015710        
 15      0.3007450             -0.0010160        
 16      0.1258340             -0.0000590        
 17      0.0547190             -0.0000200        
P   17
  1  22640.9700000             -0.0000130        
  2   5357.5450000             -0.0000570        
  3   1740.3730000             -0.0002570        
  4    666.6163000             -0.0010350        
  5    283.6384000             -0.0036790        
  6    129.7976000             -0.0113360        
  7     62.6795600             -0.0298480        
  8     31.5044100             -0.0640540        
  9     16.2352500             -0.1060770        
 10      8.5183240             -0.1280140        
 11      4.5190050             -0.0515380        
 12      2.3665910              0.1753060        
 13      1.2152350              0.3929150        
 14      0.6143480              0.3955600        
 15      0.3007450              0.1755030        
 16      0.1258340              0.0190220        
 17      0.0547190              0.0000740        
P   17
  1  22640.9700000             -0.0000030        
  2   5357.5450000             -0.0000140        
  3   1740.3730000             -0.0000630        
  4    666.6163000             -0.0002520        
  5    283.6384000             -0.0009000        
  6    129.7976000             -0.0027610        
  7     62.6795600             -0.0073230        
  8     31.5044100             -0.0156550        
  9     16.2352500             -0.0262660        
 10      8.5183240             -0.0315690        
 11      4.5190050             -0.0120800        
 12      2.3665910              0.0527840        
 13      1.2152350              0.1138130        
 14      0.6143480              0.1457620        
 15      0.3007450              0.0132030        
 16      0.1258340             -0.3522610        
 17      0.0547190             -0.5500870        
P   17
  1  22640.9700000              0.0000040        
  2   5357.5450000              0.0000170        
  3   1740.3730000              0.0000760        
  4    666.6163000              0.0003070        
  5    283.6384000              0.0010930        
  6    129.7976000              0.0033720        
  7     62.6795600              0.0088800        
  8     31.5044100              0.0191230        
  9     16.2352500              0.0317460        
 10      8.5183240              0.0387620        
 11      4.5190050              0.0146420        
 12      2.3665910             -0.0606900        
 13      1.2152350             -0.1356270        
 14      0.6143480             -0.1751720        
 15      0.3007450             -0.0771000        
 16      0.1258340              0.5646910        
 17      0.0547190              0.5410650        
P   17
  1  22640.9700000              0.0000080        
  2   5357.5450000              0.0000330        
  3   1740.3730000              0.0001590        
  4    666.6163000              0.0005920        
  5    283.6384000              0.0022770        
  6    129.7976000              0.0064620        
  7     62.6795600              0.0186080        
  8     31.5044100              0.0360080        
  9     16.2352500              0.0694180        
 10      8.5183240              0.0707610        
 11      4.5190050              0.0575890        
 12      2.3665910             -0.1767470        
 13      1.2152350             -0.3333020        
 14      0.6143480             -0.5698890        
 15      0.3007450              1.1782580        
 16      0.1258340              0.5507190        
 17      0.0547190             -0.9782210        
P   17
  1  22640.9700000             -0.0000090        
  2   5357.5450000             -0.0000440        
  3   1740.3730000             -0.0001670        
  4    666.6163000             -0.0008330        
  5    283.6384000             -0.0023500        
  6    129.7976000             -0.0091880        
  7     62.6795600             -0.0185450        
  8     31.5044100             -0.0537550        
  9     16.2352500             -0.0596530        
 10      8.5183240             -0.1569490        
 11      4.5190050              0.0129350        
 12      2.3665910              0.0894440        
 13      1.2152350              1.2768110        
 14      0.6143480             -1.0591470        
 15      0.3007450             -1.3241720        
 16      0.1258340              2.3680990        
 17      0.0547190             -1.1750710        
P   1
  1      0.0234880              1.0000000        
D   10
  1    148.0280000              0.0004900        
  2     43.8528000              0.0041290        
  3     16.6646000              0.0186860        
  4      6.9789300              0.0578540        
  5      3.1236900              0.1370780        
  6      1.4468700              0.2310160        
  7      0.6674070              0.2956830        
  8      0.3016330              0.3047830        
  9      0.1326740              0.2399250        
 10      0.0567390              0.1100890        
D   10
  1    148.0280000             -0.0005030        
  2     43.8528000             -0.0042440        
  3     16.6646000             -0.0192830        
  4      6.9789300             -0.0603550        
  5      3.1236900             -0.1437060        
  6      1.4468700             -0.2301500        
  7      0.6674070             -0.2631470        
  8      0.3016330             -0.0555990        
  9      0.1326740              0.4054920        
 10      0.0567390              0.4846050        
D   10
  1    148.0280000             -0.0006520        
  2     43.8528000             -0.0054270        
  3     16.6646000             -0.0252250        
  4      6.9789300             -0.0772000        
  5      3.1236900             -0.1898980        
  6      1.4468700             -0.2877690        
  7      0.6674070             -0.1763680        
  8      0.3016330              0.5992450        
  9      0.1326740              0.5002360        
 10      0.0567390             -0.6733890        
D   10
  1    148.0280000              0.0008350        
  2     43.8528000              0.0083830        
  3     16.6646000              0.0331020        
  4      6.9789300              0.1257230        
  5      3.1236900              0.2477730        
  6      1.4468700              0.4535390        
  7      0.6674070             -0.5351160        
  8      0.3016330             -0.8932680        
  9      0.1326740              1.4396580        
 10      0.0567390             -0.4547520        
D   1
  1      0.0231750              1.0000000        
F   1
  1      1.3905000              1.0000000        
F   1
  1      0.3921000              1.0000000        
F   1
  1      0.1106000              1.0000000        
G   1
  1      0.9757000              1.0000000        
G   1
  1      0.2530000              1.0000000        
H   1
  1      0.4934000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   21
  1 9317034.0000000             0.0000480        
  2 1394971.0000000             0.0001370        
  3 317453.1000000              0.0003690        
  4  89921.0000000              0.0009180        
  5  29338.1600000              0.0022650        
  6  10592.6600000              0.0056370        
  7   4132.0560000              0.0142060        
  8   1714.2350000              0.0351600        
  9    747.9151000              0.0813360        
 10    340.1991000              0.1643130        
 11    160.2060000              0.2627320        
 12     77.5885100              0.2747630        
 13     38.0448900              0.1433810        
 14     17.3536200              0.0699260        
 15      8.6420620              0.1217330        
 16      4.3044040              0.0854080        
 17      1.9377180              0.0109570        
 18      0.9365940             -0.0003620        
 19      0.4326240              0.0000950        
 20      0.1073520             -0.0000310        
 21      0.0520340              0.0000390        
S   21
  1 9317034.0000000            -0.0000270        
  2 1394971.0000000            -0.0000780        
  3 317453.1000000             -0.0002090        
  4  89921.0000000             -0.0005220        
  5  29338.1600000             -0.0012900        
  6  10592.6600000             -0.0032220        
  7   4132.0560000             -0.0081580        
  8   1714.2350000             -0.0204590        
  9    747.9151000             -0.0484440        
 10    340.1991000             -0.1033990        
 11    160.2060000             -0.1841860        
 12     77.5885100             -0.2439660        
 13     38.0448900             -0.1550920        
 14     17.3536200              0.1879170        
 15      8.6420620              0.5361260        
 16      4.3044040              0.3679910        
 17      1.9377180              0.0494090        
 18      0.9365940             -0.0038250        
 19      0.4326240              0.0000870        
 20      0.1073520             -0.0003080        
 21      0.0520340              0.0002850        
S   21
  1 9317034.0000000             0.0000060        
  2 1394971.0000000             0.0000160        
  3 317453.1000000              0.0000430        
  4  89921.0000000              0.0001060        
  5  29338.1600000              0.0002630        
  6  10592.6600000              0.0006590        
  7   4132.0560000              0.0016720        
  8   1714.2350000              0.0042500        
  9    747.9151000              0.0102280        
 10    340.1991000              0.0228630        
 11    160.2060000              0.0437150        
 12     77.5885100              0.0667600        
 13     38.0448900              0.0466230        
 14     17.3536200             -0.0882470        
 15      8.6420620             -0.3414970        
 16      4.3044040             -0.3594440        
 17      1.9377180              0.2370220        
 18      0.9365940              0.6874350        
 19      0.4326240              0.3500250        
 20      0.1073520              0.0179040        
 21      0.0520340             -0.0054380        
S   21
  1 9317034.0000000            -0.0000010        
  2 1394971.0000000            -0.0000040        
  3 317453.1000000             -0.0000100        
  4  89921.0000000             -0.0000250        
  5  29338.1600000             -0.0000620        
  6  10592.6600000             -0.0001560        
  7   4132.0560000             -0.0003970        
  8   1714.2350000             -0.0010080        
  9    747.9151000             -0.0024260        
 10    340.1991000             -0.0054310        
 11    160.2060000             -0.0103860        
 12     77.5885100             -0.0159460        
 13     38.0448900             -0.0111360        
 14     17.3536200              0.0212810        
 15      8.6420620              0.0868200        
 16      4.3044040              0.0946190        
 17      1.9377180             -0.0736970        
 18      0.9365940             -0.2412180        
 19      0.4326240             -0.2563650        
 20      0.1073520              0.3168670        
 21      0.0520340              0.6062010        
S   21
  1 9317034.0000000            -0.0000020        
  2 1394971.0000000            -0.0000070        
  3 317453.1000000             -0.0000190        
  4  89921.0000000             -0.0000470        
  5  29338.1600000             -0.0001140        
  6  10592.6600000             -0.0002980        
  7   4132.0560000             -0.0007100        
  8   1714.2350000             -0.0019660        
  9    747.9151000             -0.0042390        
 10    340.1991000             -0.0108910        
 11    160.2060000             -0.0173170        
 12     77.5885100             -0.0346520        
 13     38.0448900             -0.0106910        
 14     17.3536200              0.0155810        
 15      8.6420620              0.2245120        
 16      4.3044040              0.0886640        
 17      1.9377180              0.0159690        
 18      0.9365940             -1.0519990        
 19      0.4326240              0.3677290        
 20      0.1073520              2.0024320        
 21      0.0520340             -1.2263140        
S   21
  1 9317034.0000000            -0.0000040        
  2 1394971.0000000            -0.0000110        
  3 317453.1000000             -0.0000290        
  4  89921.0000000             -0.0000740        
  5  29338.1600000             -0.0001770        
  6  10592.6600000             -0.0004720        
  7   4132.0560000             -0.0010940        
  8   1714.2350000             -0.0031320        
  9    747.9151000             -0.0064710        
 10    340.1991000             -0.0175340        
 11    160.2060000             -0.0259950        
 12     77.5885100             -0.0574830        
 13     38.0448900             -0.0112000        
 14     17.3536200              0.0114700        
 15      8.6420620              0.4086420        
 16      4.3044040              0.1257640        
 17      1.9377180             -0.1612930        
 18      0.9365940             -2.2350150        
 19      0.4326240              2.8573850        
 20      0.1073520             -0.4826880        
 21      0.0520340             -1.8788870        
S   21
  1 9317034.0000000            -0.0000040        
  2 1394971.0000000            -0.0000120        
  3 317453.1000000             -0.0000330        
  4  89921.0000000             -0.0000800        
  5  29338.1600000             -0.0002080        
  6  10592.6600000             -0.0004770        
  7   4132.0560000             -0.0013800        
  8   1714.2350000             -0.0029340        
  9    747.9151000             -0.0088360        
 10    340.1991000             -0.0148350        
 11    160.2060000             -0.0412370        
 12     77.5885100             -0.0353130        
 13     38.0448900             -0.0745600        
 14     17.3536200              0.1566220        
 15      8.6420620              0.1970970        
 16      4.3044040              0.7633560        
 17      1.9377180             -2.1344110        
 18      0.9365940              0.4049510        
 19      0.4326240              2.1153220        
 20      0.1073520             -5.0821820        
 21      0.0520340              6.4423500        
S   1
  1      0.0240380              1.0000000        
P   17
  1  25537.3300000              0.0000410        
  2   6042.2430000              0.0001750        
  3   1962.6530000              0.0007800        
  4    751.7338000              0.0030920        
  5    319.8833000              0.0109090        
  6    146.4300000              0.0332110        
  7     70.7486100              0.0858830        
  8     35.5908800              0.1795240        
  9     18.3689300              0.2888880        
 10      9.6586550              0.3276960        
 11      5.1367300              0.2100700        
 12      2.6988720              0.0549250        
 13      1.3897030              0.0018240        
 14      0.7031630             -0.0015830        
 15      0.3441230             -0.0010010        
 16      0.1413750             -0.0000600        
 17      0.0607910             -0.0000160        
P   17
  1  25537.3300000             -0.0000140        
  2   6042.2430000             -0.0000590        
  3   1962.6530000             -0.0002620        
  4    751.7338000             -0.0010410        
  5    319.8833000             -0.0036910        
  6    146.4300000             -0.0113840        
  7     70.7486100             -0.0300860        
  8     35.5908800             -0.0650050        
  9     18.3689300             -0.1085090        
 10      9.6586550             -0.1312330        
 11      5.1367300             -0.0513800        
 12      2.6988720              0.1797250        
 13      1.3897030              0.3962200        
 14      0.7031630              0.3915750        
 15      0.3441230              0.1730820        
 16      0.1413750              0.0188130        
 17      0.0607910             -0.0002960        
P   17
  1  25537.3300000              0.0000030        
  2   6042.2430000              0.0000140        
  3   1962.6530000              0.0000630        
  4    751.7338000              0.0002490        
  5    319.8833000              0.0008880        
  6    146.4300000              0.0027250        
  7     70.7486100              0.0072650        
  8     35.5908800              0.0156150        
  9     18.3689300              0.0264500        
 10      9.6586550              0.0317660        
 11      5.1367300              0.0120800        
 12      2.6988720             -0.0532040        
 13      1.3897030             -0.1129400        
 14      0.7031630             -0.1429220        
 15      0.3441230             -0.0096270        
 16      0.1413750              0.3540680        
 17      0.0607910              0.5482170        
P   17
  1  25537.3300000              0.0000040        
  2   6042.2430000              0.0000180        
  3   1962.6530000              0.0000790        
  4    751.7338000              0.0003140        
  5    319.8833000              0.0011130        
  6    146.4300000              0.0034320        
  7     70.7486100              0.0090940        
  8     35.5908800              0.0196660        
  9     18.3689300              0.0330480        
 10      9.6586550              0.0402020        
 11      5.1367300              0.0150120        
 12      2.6988720             -0.0640970        
 13      1.3897030             -0.1398750        
 14      0.7031630             -0.1795270        
 15      0.3441230             -0.0499880        
 16      0.1413750              0.5710180        
 17      0.0607910              0.5224460        
P   17
  1  25537.3300000              0.0000080        
  2   6042.2430000              0.0000340        
  3   1962.6530000              0.0001610        
  4    751.7338000              0.0005930        
  5    319.8833000              0.0022830        
  6    146.4300000              0.0064630        
  7     70.7486100              0.0187630        
  8     35.5908800              0.0364410        
  9     18.3689300              0.0710110        
 10      9.6586550              0.0710910        
 11      5.1367300              0.0583500        
 12      2.6988720             -0.1859340        
 13      1.3897030             -0.3293680        
 14      0.7031630             -0.5446980        
 15      0.3441230              1.1603920        
 16      0.1413750              0.5310260        
 17      0.0607910             -0.9673130        
P   17
  1  25537.3300000             -0.0000100        
  2   6042.2430000             -0.0000450        
  3   1962.6530000             -0.0001770        
  4    751.7338000             -0.0008240        
  5    319.8833000             -0.0024550        
  6    146.4300000             -0.0090560        
  7     70.7486100             -0.0196030        
  8     35.5908800             -0.0531680        
  9     18.3689300             -0.0659310        
 10      9.6586550             -0.1487020        
 11      5.1367300             -0.0224680        
 12      2.6988720              0.1803870        
 13      1.3897030              1.1704710        
 14      0.7031630             -1.0091870        
 15      0.3441230             -1.2804130        
 16      0.1413750              2.2836230        
 17      0.0607910             -1.1335330        
P   1
  1      0.0258310              1.0000000        
D   10
  1    199.9720000              0.0003870        
  2     59.1869000              0.0033620        
  3     22.6013000              0.0161370        
  4      9.5739100              0.0519050        
  5      4.3177100              0.1286240        
  6      2.0237300              0.2291190        
  7      0.9471690              0.3019170        
  8      0.4338770              0.3096490        
  9      0.1921260              0.2346190        
 10      0.0814040              0.1048760        
D   10
  1    199.9720000             -0.0003950        
  2     59.1869000             -0.0034330        
  3     22.6013000             -0.0165460        
  4      9.5739100             -0.0538430        
  5      4.3177100             -0.1356220        
  6      2.0237300             -0.2281990        
  7      0.9471690             -0.2563190        
  8      0.4338770             -0.0539210        
  9      0.1921260              0.3874070        
 10      0.0814040              0.4995520        
D   10
  1    199.9720000             -0.0006270        
  2     59.1869000             -0.0054590        
  3     22.6013000             -0.0266700        
  4      9.5739100             -0.0882250        
  5      4.3177100             -0.2246980        
  6      2.0237300             -0.3285440        
  7      0.9471690             -0.1158350        
  8      0.4338770              0.6164880        
  9      0.1921260              0.4178460        
 10      0.0814040             -0.6084680        
D   10
  1    199.9720000             -0.0007040        
  2     59.1869000             -0.0070290        
  3     22.6013000             -0.0306810        
  4      9.5739100             -0.1179840        
  5      4.3177100             -0.2736880        
  6      2.0237300             -0.3822080        
  7      0.9471690              0.5416700        
  8      0.4338770              0.7650710        
  9      0.1921260             -1.2834360        
 10      0.0814040              0.2757400        
D   1
  1      0.0322330              1.0000000        
F   1
  1      2.2331000              1.0000000        
F   1
  1      0.6332000              1.0000000        
F   1
  1      0.1796000              1.0000000        
G   1
  1      1.5503000              1.0000000        
G   1
  1      0.3947000              1.0000000        
H   1
  1      0.8524000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: V
data:
VANADIUM
S   21
  1 10251780.0000000            0.0000510        
  2 1534920.0000000             0.0001450        
  3 349300.9000000              0.0003880        
  4  98942.0500000              0.0009590        
  5  32281.3600000              0.0023460        
  6  11655.2700000              0.0057780        
  7   4546.5480000              0.0144180        
  8   1886.1850000              0.0354410        
  9    822.9417000              0.0817150        
 10    374.3439000              0.1649650        
 11    176.3069000              0.2641750        
 12     85.4066100              0.2776330        
 13     41.9043500              0.1460600        
 14     19.1552500              0.0683250        
 15      9.5716170              0.1153650        
 16      4.7800860              0.0802700        
 17      2.1618600              0.0102060        
 18      1.0427110             -0.0003070        
 19      0.4802820              0.0000610        
 20      0.1176380             -0.0000200        
 21      0.0561740              0.0000370        
S   21
  1 10251780.0000000           -0.0000280        
  2 1534920.0000000            -0.0000800        
  3 349300.9000000             -0.0002150        
  4  98942.0500000             -0.0005330        
  5  32281.3600000             -0.0013050        
  6  11655.2700000             -0.0032250        
  7   4546.5480000             -0.0080890        
  8   1886.1850000             -0.0201520        
  9    822.9417000             -0.0475820        
 10    374.3439000             -0.1015860        
 11    176.3069000             -0.1814790        
 12     85.4066100             -0.2418400        
 13     41.9043500             -0.1546910        
 14     19.1552500              0.1906220        
 15      9.5716170              0.5397270        
 16      4.7800860              0.3667050        
 17      2.1618600              0.0489360        
 18      1.0427110             -0.0037570        
 19      0.4802820             -0.0000410        
 20      0.1176380             -0.0002620        
 21      0.0561740              0.0002880        
S   21
  1 10251780.0000000            0.0000060        
  2 1534920.0000000             0.0000170        
  3 349300.9000000              0.0000450        
  4  98942.0500000              0.0001130        
  5  32281.3600000              0.0002760        
  6  11655.2700000              0.0006850        
  7   4546.5480000              0.0017220        
  8   1886.1850000              0.0043460        
  9    822.9417000              0.0104260        
 10    374.3439000              0.0232820        
 11    176.3069000              0.0445480        
 12     85.4066100              0.0681470        
 13     41.9043500              0.0477830        
 14     19.1552500             -0.0909640        
 15      9.5716170             -0.3509110        
 16      4.7800860             -0.3582080        
 17      2.1618600              0.2523820        
 18      1.0427110              0.6881350        
 19      0.4802820              0.3404340        
 20      0.1176380              0.0167320        
 21      0.0561740             -0.0049670        
S   21
  1 10251780.0000000           -0.0000010        
  2 1534920.0000000            -0.0000040        
  3 349300.9000000             -0.0000110        
  4  98942.0500000             -0.0000260        
  5  32281.3600000             -0.0000640        
  6  11655.2700000             -0.0001590        
  7   4546.5480000             -0.0004010        
  8   1886.1850000             -0.0010120        
  9    822.9417000             -0.0024260        
 10    374.3439000             -0.0054310        
 11    176.3069000             -0.0103840        
 12     85.4066100             -0.0159960        
 13     41.9043500             -0.0111760        
 14     19.1552500              0.0214850        
 15      9.5716170              0.0878790        
 16      4.7800860              0.0922920        
 17      2.1618600             -0.0762840        
 18      1.0427110             -0.2409190        
 19      0.4802820             -0.2425420        
 20      0.1176380              0.3201900        
 21      0.0561740              0.5991660        
S   21
  1 10251780.0000000           -0.0000030        
  2 1534920.0000000            -0.0000080        
  3 349300.9000000             -0.0000200        
  4  98942.0500000             -0.0000510        
  5  32281.3600000             -0.0001220        
  6  11655.2700000             -0.0003180        
  7   4546.5480000             -0.0007480        
  8   1886.1850000             -0.0020610        
  9    822.9417000             -0.0044150        
 10    374.3439000             -0.0113810        
 11    176.3069000             -0.0180080        
 12     85.4066100             -0.0363880        
 13     41.9043500             -0.0109160        
 14     19.1552500              0.0158660        
 15      9.5716170              0.2385610        
 16      4.7800860              0.0861270        
 17      2.1618600              0.0045110        
 18      1.0427110             -1.0936470        
 19      0.4802820              0.4530570        
 20      0.1176380              1.9309090        
 21      0.0561740             -1.2327630        
S   21
  1 10251780.0000000           -0.0000040        
  2 1534920.0000000            -0.0000120        
  3 349300.9000000             -0.0000320        
  4  98942.0500000             -0.0000810        
  5  32281.3600000             -0.0001910        
  6  11655.2700000             -0.0005020        
  7   4546.5480000             -0.0011630        
  8   1886.1850000             -0.0032710        
  9    822.9417000             -0.0068350        
 10    374.3439000             -0.0181850        
 11    176.3069000             -0.0276530        
 12     85.4066100             -0.0593360        
 13     41.9043500             -0.0139910        
 14     19.1552500              0.0177810        
 15      9.5716170              0.4239440        
 16      4.7800860              0.1443250        
 17      2.1618600             -0.2717610        
 18      1.0427110             -2.1448410        
 19      0.4802820              2.9061280        
 20      0.1176380             -0.7881850        
 21      0.0561740             -1.4659060        
S   21
  1 10251780.0000000           -0.0000050        
  2 1534920.0000000            -0.0000140        
  3 349300.9000000             -0.0000370        
  4  98942.0500000             -0.0000890        
  5  32281.3600000             -0.0002320        
  6  11655.2700000             -0.0005200        
  7   4546.5480000             -0.0015180        
  8   1886.1850000             -0.0031210        
  9    822.9417000             -0.0096880        
 10    374.3439000             -0.0155290        
 11    176.3069000             -0.0457170        
 12     85.4066100             -0.0354600        
 13     41.9043500             -0.0871400        
 14     19.1552500              0.1876050        
 15      9.5716170              0.2022650        
 16      4.7800860              0.8408220        
 17      2.1618600             -2.5807070        
 18      1.0427110              1.1903460        
 19      0.4802820              1.4732050        
 20      0.1176380             -4.5441610        
 21      0.0561740              5.9967610        
S   1
  1      0.0256610              1.0000000        
P   17
  1  28563.3200000              0.0000430        
  2   6757.1910000              0.0001780        
  3   2194.6520000              0.0007810        
  4    840.5257000              0.0030620        
  5    357.6666000              0.0107680        
  6    163.7534000              0.0327920        
  7     79.1446600              0.0850360        
  8     39.8385800              0.1785820        
  9     20.5853600              0.2887830        
 10     10.8430700              0.3282520        
 11      5.7779690              0.2104570        
 12      3.0431700              0.0551900        
 13      1.5702390              0.0018830        
 14      0.7949750             -0.0016270        
 15      0.3889800             -0.0010070        
 16      0.1573350             -0.0000620        
 17      0.0665830             -0.0000130        
P   17
  1  28563.3200000             -0.0000150        
  2   6757.1910000             -0.0000610        
  3   2194.6520000             -0.0002670        
  4    840.5257000             -0.0010490        
  5    357.6666000             -0.0037070        
  6    163.7534000             -0.0114380        
  7     79.1446600             -0.0303200        
  8     39.8385800             -0.0658710        
  9     20.5853600             -0.1106360        
 10     10.8430700             -0.1337960        
 11      5.7779690             -0.0504700        
 12      3.0431700              0.1841380        
 13      1.5702390              0.3986760        
 14      0.7949750              0.3877830        
 15      0.3889800              0.1710070        
 16      0.1573350              0.0185650        
 17      0.0665830             -0.0005590        
P   17
  1  28563.3200000              0.0000040        
  2   6757.1910000              0.0000150        
  3   2194.6520000              0.0000650        
  4    840.5257000              0.0002520        
  5    357.6666000              0.0008980        
  6    163.7534000              0.0027560        
  7     79.1446600              0.0073760        
  8     39.8385800              0.0159330        
  9     20.5853600              0.0271950        
 10     10.8430700              0.0325940        
 11      5.7779690              0.0118210        
 12      3.0431700             -0.0558370        
 13      1.5702390             -0.1156350        
 14      0.7949750             -0.1386370        
 15      0.3889800              0.0022130        
 16      0.1573350              0.3520420        
 17      0.0665830              0.5411560        
P   17
  1  28563.3200000              0.0000040        
  2   6757.1910000              0.0000180        
  3   2194.6520000              0.0000810        
  4    840.5257000              0.0003180        
  5    357.6666000              0.0011240        
  6    163.7534000              0.0034680        
  7     79.1446600              0.0092140        
  8     39.8385800              0.0200460        
  9     20.5853600              0.0338840        
 10     10.8430700              0.0412880        
 11      5.7779690              0.0147000        
 12      3.0431700             -0.0662180        
 13      1.5702390             -0.1436870        
 14      0.7949750             -0.1780180        
 15      0.3889800             -0.0335830        
 16      0.1573350              0.5764400        
 17      0.0665830              0.5110710        
P   17
  1  28563.3200000              0.0000090        
  2   6757.1910000              0.0000360        
  3   2194.6520000              0.0001680        
  4    840.5257000              0.0006150        
  5    357.6666000              0.0023560        
  6    163.7534000              0.0066770        
  7     79.1446600              0.0194410        
  8     39.8385800              0.0380200        
  9     20.5853600              0.0743940        
 10     10.8430700              0.0746660        
 11      5.7779690              0.0596980        
 12      3.0431700             -0.2028460        
 13      1.5702390             -0.3467910        
 14      0.7949750             -0.4971730        
 15      0.3889800              1.1593020        
 16      0.1573350              0.4791120        
 17      0.0665830             -0.9455920        
P   17
  1  28563.3200000             -0.0000110        
  2   6757.1910000             -0.0000500        
  3   2194.6520000             -0.0001900        
  4    840.5257000             -0.0008750        
  5    357.6666000             -0.0026070        
  6    163.7534000             -0.0096130        
  7     79.1446600             -0.0209460        
  8     39.8385800             -0.0570950        
  9     20.5853600             -0.0712500        
 10     10.8430700             -0.1585200        
 11      5.7779690             -0.0187930        
 12      3.0431700              0.2409470        
 13      1.5702390              1.1423850        
 14      0.7949750             -1.1366200        
 15      0.3889800             -1.0774880        
 16      0.1573350              2.1602070        
 17      0.0665830             -1.1313370        
P   1
  1      0.0278440              1.0000000        
D   10
  1    244.3470000              0.0003510        
  2     72.2926000              0.0030850        
  3     27.6493000              0.0152580        
  4     11.7778000              0.0502450        
  5      5.3373100              0.1265230        
  6      2.5176000              0.2292800        
  7      1.1888100              0.3034060        
  8      0.5499670              0.3088670        
  9      0.2457380              0.2310890        
 10      0.1045040              0.1037090        
D   10
  1    244.3470000             -0.0003720        
  2     72.2926000             -0.0032770        
  3     27.6493000             -0.0162790        
  4     11.7778000             -0.0543160        
  5      5.3373100             -0.1399110        
  6      2.5176000             -0.2390000        
  7      1.1888100             -0.2538070        
  8      0.5499670             -0.0303220        
  9      0.2457380              0.3839470        
 10      0.1045040              0.4879820        
D   10
  1    244.3470000             -0.0005750        
  2     72.2926000             -0.0050770        
  3     27.6493000             -0.0255170        
  4     11.7778000             -0.0868340        
  5      5.3373100             -0.2285650        
  6      2.5176000             -0.3376560        
  7      1.1888100             -0.0917660        
  8      0.5499670              0.6199220        
  9      0.2457380              0.3937470        
 10      0.1045040             -0.6029800        
D   10
  1    244.3470000             -0.0007310        
  2     72.2926000             -0.0070950        
  3     27.6493000             -0.0331860        
  4     11.7778000             -0.1269420        
  5      5.3373100             -0.3250860        
  6      2.5176000             -0.3625000        
  7      1.1888100              0.6689130        
  8      0.5499670              0.6037430        
  9      0.2457380             -1.2164810        
 10      0.1045040              0.2817010        
D   1
  1      0.0411450              1.0000000        
F   1
  1      3.0318000              1.0000000        
F   1
  1      0.8733000              1.0000000        
F   1
  1      0.2516000              1.0000000        
G   1
  1      2.1265000              1.0000000        
G   1
  1      0.5564000              1.0000000        
H   1
  1      1.2875000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   21
  1 11016640.0000000            0.0000540        
  2 1649423.0000000             0.0001540        
  3 375358.9000000              0.0004120        
  4 106323.6000000              0.0010120        
  5  34689.7600000              0.0024600        
  6  12524.8300000              0.0060080        
  7   4885.7520000              0.0148700        
  8   2026.9180000              0.0363090        
  9    884.3645000              0.0833080        
 10    402.3170000              0.1673620        
 11    189.5271000              0.2661030        
 12     91.8609500              0.2761380        
 13     45.1247600              0.1429680        
 14     20.6251200              0.0695690        
 15     10.3197300              0.1153580        
 16      5.1577230              0.0760500        
 17      2.3126280              0.0089700        
 18      1.1030790             -0.0002630        
 19      0.4980420              0.0000710        
 20      0.1182470             -0.0000110        
 21      0.0573560              0.0000400        
S   21
  1 11016640.0000000           -0.0000300        
  2 1649423.0000000            -0.0000860        
  3 375358.9000000             -0.0002280        
  4 106323.6000000             -0.0005620        
  5  34689.7600000             -0.0013670        
  6  12524.8300000             -0.0033520        
  7   4885.7520000             -0.0083390        
  8   2026.9180000             -0.0206480        
  9    884.3645000             -0.0485430        
 10    402.3170000             -0.1032880        
 11    189.5271000             -0.1836520        
 12     91.8609500             -0.2426780        
 13     45.1247600             -0.1497000        
 14     20.6251200              0.2061910        
 15     10.3197300              0.5462950        
 16      5.1577230              0.3519330        
 17      2.3126280              0.0434510        
 18      1.1030790             -0.0034870        
 19      0.4980420              0.0000520        
 20      0.1182470             -0.0001960        
 21      0.0573560              0.0002860        
S   21
  1 11016640.0000000            0.0000060        
  2 1649423.0000000             0.0000180        
  3 375358.9000000              0.0000490        
  4 106323.6000000              0.0001210        
  5  34689.7600000              0.0002940        
  6  12524.8300000              0.0007250        
  7   4885.7520000              0.0018090        
  8   2026.9180000              0.0045400        
  9    884.3645000              0.0108370        
 10    402.3170000              0.0241590        
 11    189.5271000              0.0459620        
 12     91.8609500              0.0698970        
 13     45.1247600              0.0466910        
 14     20.6251200             -0.0999290        
 15     10.3197300             -0.3685700        
 16      5.1577230             -0.3424530        
 17      2.3126280              0.2985130        
 18      1.1030790              0.6976530        
 19      0.4980420              0.2956920        
 20      0.1182470              0.0095900        
 21      0.0573560             -0.0010750        
S   21
  1 11016640.0000000           -0.0000010        
  2 1649423.0000000            -0.0000040        
  3 375358.9000000             -0.0000110        
  4 106323.6000000             -0.0000280        
  5  34689.7600000             -0.0000670        
  6  12524.8300000             -0.0001660        
  7   4885.7520000             -0.0004120        
  8   2026.9180000             -0.0010390        
  9    884.3645000             -0.0024630        
 10    402.3170000             -0.0055480        
 11    189.5271000             -0.0104380        
 12     91.8609500             -0.0162390        
 13     45.1247600             -0.0103850        
 14     20.6251200              0.0224250        
 15     10.3197300              0.0924750        
 16      5.1577230              0.0833650        
 17      2.3126280             -0.0821470        
 18      1.1030790             -0.2590250        
 19      0.4980420             -0.2041760        
 20      0.1182470              0.3777770        
 21      0.0573560              0.5588970        
S   21
  1 11016640.0000000           -0.0000030        
  2 1649423.0000000            -0.0000080        
  3 375358.9000000             -0.0000220        
  4 106323.6000000             -0.0000550        
  5  34689.7600000             -0.0001310        
  6  12524.8300000             -0.0003380        
  7   4885.7520000             -0.0007860        
  8   2026.9180000             -0.0021660        
  9    884.3645000             -0.0045870        
 10    402.3170000             -0.0119040        
 11    189.5271000             -0.0184920        
 12     91.8609500             -0.0378720        
 13     45.1247600             -0.0093630        
 14     20.6251200              0.0177020        
 15     10.3197300              0.2547990        
 16      5.1577230              0.0707240        
 17      2.3126280             -0.0257070        
 18      1.1030790             -1.1363580        
 19      0.4980420              0.6281400        
 20      0.1182470              1.8833370        
 21      0.0573560             -1.3929490        
S   21
  1 11016640.0000000           -0.0000050        
  2 1649423.0000000            -0.0000130        
  3 375358.9000000             -0.0000350        
  4 106323.6000000             -0.0000870        
  5  34689.7600000             -0.0002080        
  6  12524.8300000             -0.0005320        
  7   4885.7520000             -0.0012540        
  8   2026.9180000             -0.0033990        
  9    884.3645000             -0.0073610        
 10    402.3170000             -0.0186100        
 11    189.5271000             -0.0301280        
 12     91.8609500             -0.0587280        
 13     45.1247600             -0.0190270        
 14     20.6251200              0.0388480        
 15     10.3197300              0.4187920        
 16      5.1577230              0.1853590        
 17      2.3126280             -0.5215690        
 18      1.1030790             -1.8075870        
 19      0.4980420              2.8725050        
 20      0.1182470             -1.3448820        
 21      0.0573560             -0.7200920        
S   21
  1 11016640.0000000           -0.0000050        
  2 1649423.0000000            -0.0000150        
  3 375358.9000000             -0.0000420        
  4 106323.6000000             -0.0000990        
  5  34689.7600000             -0.0002590        
  6  12524.8300000             -0.0005660        
  7   4885.7520000             -0.0016830        
  8   2026.9180000             -0.0033080        
  9    884.3645000             -0.0107390        
 10    402.3170000             -0.0160340        
 11    189.5271000             -0.0511580        
 12     91.8609500             -0.0331430        
 13     45.1247600             -0.1014980        
 14     20.6251200              0.2332710        
 15     10.3197300              0.2014630        
 16      5.1577230              0.8803140        
 17      2.3126280             -3.1030870        
 18      1.1030790              2.3290390        
 19      0.4980420              0.4451650        
 20      0.1182470             -3.8882070        
 21      0.0573560              5.5615460        
S   1
  1      0.0257600              1.0000000        
P   17
  1  31539.8900000              0.0000460        
  2   7460.2340000              0.0001840        
  3   2422.6220000              0.0007930        
  4    927.7547000              0.0030740        
  5    394.8041000              0.0107650        
  6    180.8027000              0.0327480        
  7     87.4239300              0.0849950        
  8     44.0342700              0.1788510        
  9     22.7770400              0.2896740        
 10     12.0154700              0.3283500        
 11      6.4117510              0.2090050        
 12      3.3811360              0.0543940        
 13      1.7470540              0.0020050        
 14      0.8850040             -0.0014380        
 15      0.4330280             -0.0009110        
 16      0.1739620             -0.0000520        
 17      0.0728230             -0.0000120        
P   17
  1  31539.8900000             -0.0000160        
  2   7460.2340000             -0.0000640        
  3   2422.6220000             -0.0002750        
  4    927.7547000             -0.0010700        
  5    394.8041000             -0.0037650        
  6    180.8027000             -0.0116070        
  7     87.4239300             -0.0308030        
  8     44.0342700             -0.0671020        
  9     22.7770400             -0.1130240        
 10     12.0154700             -0.1359580        
 11      6.4117510             -0.0478150        
 12      3.3811360              0.1907310        
 13      1.7470540              0.4011900        
 14      0.8850040              0.3827710        
 15      0.4330280              0.1674310        
 16      0.1739620              0.0180400        
 17      0.0728230             -0.0006540        
P   17
  1  31539.8900000              0.0000040        
  2   7460.2340000              0.0000150        
  3   2422.6220000              0.0000650        
  4    927.7547000              0.0002520        
  5    394.8041000              0.0008930        
  6    180.8027000              0.0027370        
  7     87.4239300              0.0073310        
  8     44.0342700              0.0158860        
  9     22.7770400              0.0271800        
 10     12.0154700              0.0324270        
 11      6.4117510              0.0108710        
 12      3.3811360             -0.0565060        
 13      1.7470540             -0.1144660        
 14      0.8850040             -0.1329640        
 15      0.4330280              0.0047140        
 16      0.1739620              0.3440550        
 17      0.0728230              0.5412790        
P   17
  1  31539.8900000              0.0000050        
  2   7460.2340000              0.0000190        
  3   2422.6220000              0.0000830        
  4    927.7547000              0.0003250        
  5    394.8041000              0.0011440        
  6    180.8027000              0.0035350        
  7     87.4239300              0.0093750        
  8     44.0342700              0.0205310        
  9     22.7770400              0.0346480        
 10     12.0154700              0.0423890        
 11      6.4117510              0.0133730        
 12      3.3811360             -0.0684010        
 13      1.7470540             -0.1487620        
 14      0.8850040             -0.1732490        
 15      0.4330280             -0.0207630        
 16      0.1739620              0.5782720        
 17      0.0728230              0.5031920        
P   17
  1  31539.8900000              0.0000100        
  2   7460.2340000              0.0000390        
  3   2422.6220000              0.0001790        
  4    927.7547000              0.0006500        
  5    394.8041000              0.0024720        
  6    180.8027000              0.0070230        
  7     87.4239300              0.0204050        
  8     44.0342700              0.0402100        
  9     22.7770400              0.0784580        
 10     12.0154700              0.0794720        
 11      6.4117510              0.0588510        
 12      3.3811360             -0.2240270        
 13      1.7470540             -0.3702630        
 14      0.8850040             -0.4376700        
 15      0.4330280              1.1645370        
 16      0.1739620              0.4154860        
 17      0.0728230             -0.9143280        
P   17
  1  31539.8900000             -0.0000130        
  2   7460.2340000             -0.0000540        
  3   2422.6220000             -0.0002070        
  4    927.7547000             -0.0009320        
  5    394.8041000             -0.0027990        
  6    180.8027000             -0.0101970        
  7     87.4239300             -0.0225810        
  8     44.0342700             -0.0608530        
  9     22.7770400             -0.0779640        
 10     12.0154700             -0.1676820        
 11      6.4117510             -0.0107790        
 12      3.3811360              0.3109570        
 13      1.7470540              1.0976240        
 14      0.8850040             -1.2795560        
 15      0.4330280             -0.8569200        
 16      0.1739620              2.0411650        
 17      0.0728230             -1.1202710        
P   1
  1      0.0299520              1.0000000        
D   10
  1    281.3120000              0.0003470        
  2     83.1885000              0.0030700        
  3     31.8396000              0.0153950        
  4     13.6026000              0.0513190        
  5      6.1829800              0.1296680        
  6      2.9227000              0.2347810        
  7      1.3821600              0.3080430        
  8      0.6394600              0.3080560        
  9      0.2848980              0.2239250        
 10      0.1200450              0.0946790        
D   10
  1    281.3120000             -0.0003940        
  2     83.1885000             -0.0034940        
  3     31.8396000             -0.0175900        
  4     13.6026000             -0.0596210        
  5      6.1829800             -0.1545140        
  6      2.9227000             -0.2603230        
  7      1.3821600             -0.2500610        
  8      0.6394600              0.0227810        
  9      0.2848980              0.4192340        
 10      0.1200450              0.4520610        
D   10
  1    281.3120000             -0.0005630        
  2     83.1885000             -0.0050080        
  3     31.8396000             -0.0254920        
  4     13.6026000             -0.0881820        
  5      6.1829800             -0.2353990        
  6      2.9227000             -0.3396410        
  7      1.3821600             -0.0376150        
  8      0.6394600              0.6602460        
  9      0.2848980              0.2965440        
 10      0.1200450             -0.6557610        
D   10
  1    281.3120000              0.0007970        
  2     83.1885000              0.0076390        
  3     31.8396000              0.0369700        
  4     13.6026000              0.1424390        
  5      6.1829800              0.3758710        
  6      2.9227000              0.3231850        
  7      1.3821600             -0.8334330        
  8      0.6394600             -0.3730540        
  9      0.2848980              1.2135530        
 10      0.1200450             -0.4829450        
D   1
  1      0.0462290              1.0000000        
F   1
  1      3.7289000              1.0000000        
F   1
  1      1.0824000              1.0000000        
F   1
  1      0.3142000              1.0000000        
G   1
  1      2.5880000              1.0000000        
G   1
  1      0.6848000              1.0000000        
H   1
  1      1.6472000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   21
  1 12210500.0000000            0.0000580        
  2 1828157.0000000             0.0001650        
  3 416030.3000000              0.0004380        
  4 117843.6000000              0.0010700        
  5  38448.1400000              0.0025760        
  6  13881.7100000              0.0062270        
  7   5415.0020000              0.0152550        
  8   2246.4600000              0.0369930        
  9    980.1463000              0.0847020        
 10    445.8952000              0.1707500        
 11    210.0558000              0.2743970        
 12    101.8046000              0.2920430        
 13     50.0112600              0.1562220        
 14     22.9393900              0.0570620        
 15     11.5226400              0.0808350        
 16      5.7763380              0.0554240        
 17      2.6259590              0.0066290        
 18      1.2603220             -0.0002790        
 19      0.5771300             -0.0000720        
 20      0.1365820             -0.0000030        
 21      0.0635350              0.0000180        
S   21
  1 12210500.0000000           -0.0000280        
  2 1828157.0000000            -0.0000790        
  3 416030.3000000             -0.0002090        
  4 117843.6000000             -0.0005120        
  5  38448.1400000             -0.0012360        
  6  13881.7100000             -0.0030000        
  7   5415.0020000             -0.0073920        
  8   2246.4600000             -0.0181990        
  9    980.1463000             -0.0427750        
 10    445.8952000             -0.0916740        
 11    210.0558000             -0.1657000        
 12    101.8046000             -0.2259060        
 13     50.0112600             -0.1460020        
 14     22.9393900              0.2013410        
 15     11.5226400              0.5511090        
 16      5.7763380              0.3649400        
 17      2.6259590              0.0468620        
 18      1.2603220             -0.0049100        
 19      0.5771300             -0.0008110        
 20      0.1365820             -0.0002310        
 21      0.0635350              0.0002610        
S   21
  1 12210500.0000000            0.0000070        
  2 1828157.0000000             0.0000190        
  3 416030.3000000              0.0000510        
  4 117843.6000000              0.0001250        
  5  38448.1400000              0.0003020        
  6  13881.7100000              0.0007350        
  7   5415.0020000              0.0018160        
  8   2246.4600000              0.0045200        
  9    980.1463000              0.0107630        
 10    445.8952000              0.0239650        
 11    210.0558000              0.0458380        
 12    101.8046000              0.0701710        
 13     50.0112600              0.0489920        
 14     22.9393900             -0.0969430        
 15     11.5226400             -0.3667830        
 16      5.7763380             -0.3506890        
 17      2.6259590              0.2826890        
 18      1.2603220              0.6877440        
 19      0.5771300              0.3208270        
 20      0.1365820              0.0142970        
 21      0.0635350             -0.0039610        
S   21
  1 12210500.0000000           -0.0000020        
  2 1828157.0000000            -0.0000040        
  3 416030.3000000             -0.0000110        
  4 117843.6000000             -0.0000280        
  5  38448.1400000             -0.0000670        
  6  13881.7100000             -0.0001640        
  7   5415.0020000             -0.0004050        
  8   2246.4600000             -0.0010090        
  9    980.1463000             -0.0023990        
 10    445.8952000             -0.0053570        
 11    210.0558000             -0.0102290        
 12    101.8046000             -0.0157930        
 13     50.0112600             -0.0109470        
 14     22.9393900              0.0218960        
 15     11.5226400              0.0881540        
 16      5.7763380              0.0858360        
 17      2.6259590             -0.0805790        
 18      1.2603220             -0.2334220        
 19      0.5771300             -0.2180350        
 20      0.1365820              0.3213000        
 21      0.0635350              0.5871860        
S   21
  1 12210500.0000000           -0.0000030        
  2 1828157.0000000            -0.0000090        
  3 416030.3000000             -0.0000230        
  4 117843.6000000             -0.0000570        
  5  38448.1400000             -0.0001340        
  6  13881.7100000             -0.0003410        
  7   5415.0020000             -0.0007900        
  8   2246.4600000             -0.0021450        
  9    980.1463000             -0.0045600        
 10    445.8952000             -0.0117340        
 11    210.0558000             -0.0185180        
 12    101.8046000             -0.0375870        
 13     50.0112600             -0.0109190        
 14     22.9393900              0.0172930        
 15     11.5226400              0.2491810        
 16      5.7763380              0.0803670        
 17      2.6259590             -0.0187700        
 18      1.2603220             -1.0968980        
 19      0.5771300              0.5280050        
 20      0.1365820              1.8057720        
 21      0.0635350             -1.1683710        
S   21
  1 12210500.0000000           -0.0000050        
  2 1828157.0000000            -0.0000140        
  3 416030.3000000             -0.0000370        
  4 117843.6000000             -0.0000910        
  5  38448.1400000             -0.0002130        
  6  13881.7100000             -0.0005440        
  7   5415.0020000             -0.0012540        
  8   2246.4600000             -0.0034240        
  9    980.1463000             -0.0072400        
 10    445.8952000             -0.0187740        
 11    210.0558000             -0.0294560        
 12    101.8046000             -0.0606780        
 13     50.0112600             -0.0172460        
 14     22.9393900              0.0278370        
 15     11.5226400              0.4339450        
 16      5.7763380              0.1645920        
 17      2.6259590             -0.4097160        
 18      1.2603220             -1.9645600        
 19      0.5771300              2.8395490        
 20      0.1365820             -0.9662380        
 21      0.0635350             -1.1393420        
S   21
  1 12210500.0000000           -0.0000060        
  2 1828157.0000000            -0.0000160        
  3 416030.3000000             -0.0000440        
  4 117843.6000000             -0.0001040        
  5  38448.1400000             -0.0002660        
  6  13881.7100000             -0.0005870        
  7   5415.0020000             -0.0016770        
  8   2246.4600000             -0.0034070        
  9    980.1463000             -0.0105060        
 10    445.8952000             -0.0167510        
 11    210.0558000             -0.0495550        
 12    101.8046000             -0.0381420        
 13     50.0112600             -0.0951520        
 14     22.9393900              0.2112910        
 15     11.5226400              0.2315620        
 16      5.7763380              0.8752810        
 17      2.6259590             -2.9729550        
 18      1.2603220              1.9405330        
 19      0.5771300              0.8065440        
 20      0.1365820             -3.8652740        
 21      0.0635350              5.3654950        
S   1
  1      0.0285210              1.0000000        
P   17
  1  35005.1200000              0.0000480        
  2   8279.4620000              0.0001870        
  3   2688.4650000              0.0007950        
  4   1029.4900000              0.0030450        
  5    438.0708000              0.0106220        
  6    200.6153000              0.0323120        
  7     97.0076900              0.0841060        
  8     48.8705200              0.1778670        
  9     25.2928100              0.2896740        
 10     13.3538200              0.3295160        
 11      7.1317860              0.2101060        
 12      3.7643650              0.0543090        
 13      1.9462650              0.0009210        
 14      0.9854550             -0.0025450        
 15      0.4818650             -0.0013860        
 16      0.18822219            -0.0001010        
 17      0.07753957            -0.0000060        
P   17
  1  35005.1200000             -0.0000170        
  2   8279.4620000             -0.0000650        
  3   2688.4650000             -0.0002760        
  4   1029.4900000             -0.0010630        
  5    438.0708000             -0.0037280        
  6    200.6153000             -0.0114960        
  7     97.0076900             -0.0306030        
  8     48.8705200             -0.0670670        
  9     25.2928100             -0.1137030        
 10     13.3538200             -0.1370730        
 11      7.1317860             -0.0467790        
 12      3.7643650              0.1938100        
 13      1.9462650              0.4032800        
 14      0.9854550              0.3802000        
 15      0.4818650              0.1659910        
 16      0.18822219             0.0176060        
 17      0.07753957            -0.0009790        
P   17
  1  35005.1200000             -0.0000040        
  2   8279.4620000             -0.0000150        
  3   2688.4650000             -0.0000640        
  4   1029.4900000             -0.0002440        
  5    438.0708000             -0.0008620        
  6    200.6153000             -0.0026400        
  7     97.0076900             -0.0071040        
  8     48.8705200             -0.0154490        
  9     25.2928100             -0.0266700        
 10     13.3538200             -0.0317120        
 11      7.1317860             -0.0106380        
 12      3.7643650              0.0556750        
 13      1.9462650              0.1103720        
 14      0.9854550              0.1279880        
 15      0.4818650             -0.0059250        
 16      0.18822219            -0.3403060        
 17      0.07753957            -0.5399780        
P   17
  1  35005.1200000              0.0000050        
  2   8279.4620000              0.0000200        
  3   2688.4650000              0.0000870        
  4   1029.4900000              0.0003310        
  5    438.0708000              0.0011680        
  6    200.6153000              0.0035830        
  7     97.0076900              0.0096140        
  8     48.8705200              0.0209630        
  9     25.2928100              0.0360950        
 10     13.3538200              0.0432600        
 11      7.1317860              0.0145930        
 12      3.7643650             -0.0739170        
 13      1.9462650             -0.1508130        
 14      0.9854550             -0.1784340        
 15      0.4818650              0.0078630        
 16      0.18822219             0.5895700        
 17      0.07753957             0.4812390        
P   17
  1  35005.1200000              0.0000110        
  2   8279.4620000              0.0000420        
  3   2688.4650000              0.0001890        
  4   1029.4900000              0.0006700        
  5    438.0708000              0.0025720        
  6    200.6153000              0.0072120        
  7     97.0076900              0.0213320        
  8     48.8705200              0.0415820        
  9     25.2928100              0.0832960        
 10     13.3538200              0.0812140        
 11      7.1317860              0.0663900        
 12      3.7643650             -0.2544520        
 13      1.9462650             -0.3788380        
 14      0.9854550             -0.3911210        
 15      0.4818650              1.1724280        
 16      0.18822219             0.3433290        
 17      0.07753957            -0.8913400        
P   17
  1  35005.1200000             -0.0000150        
  2   8279.4620000             -0.0000600        
  3   2688.4650000             -0.0002330        
  4   1029.4900000             -0.0009920        
  5    438.0708000             -0.0031070        
  6    200.6153000             -0.0108160        
  7     97.0076900             -0.0253500        
  8     48.8705200             -0.0647510        
  9     25.2928100             -0.0906570        
 10     13.3538200             -0.1700890        
 11      7.1317860             -0.0386240        
 12      3.7643650              0.4446210        
 13      1.9462650              1.0592000        
 14      0.9854550             -1.5463780        
 15      0.4818650             -0.4568530        
 16      0.18822219             1.7988000        
 17      0.07753957            -1.0962300        
P   1
  1      0.03154945             1.0000000        
D   10
  1    313.1090000              0.0003590        
  2     92.5276000              0.0031830        
  3     35.4191000              0.0160470        
  4     15.1577000              0.0537480        
  5      6.9096400              0.1349810        
  6      3.2725600              0.2407980        
  7      1.5493600              0.3099540        
  8      0.7170940              0.3033480        
  9      0.3193100              0.2162990        
 10      0.1341570              0.0917180        
D   10
  1    313.1090000             -0.0003660        
  2     92.5276000             -0.0032550        
  3     35.4191000             -0.0164410        
  4     15.1577000             -0.0558650        
  5      6.9096400             -0.1438070        
  6      3.2725600             -0.2453650        
  7      1.5493600             -0.2370140        
  8      0.7170940              0.0168210        
  9      0.3193100              0.3826800        
 10      0.1341570              0.4703680        
D   10
  1    313.1090000             -0.0005780        
  2     92.5276000             -0.0051700        
  3     35.4191000             -0.0263440        
  4     15.1577000             -0.0919750        
  5      6.9096400             -0.2428130        
  6      3.2725600             -0.3418720        
  7      1.5493600             -0.0269540        
  8      0.7170940              0.6038520        
  9      0.3193100              0.3360190        
 10      0.1341570             -0.5511860        
D   10
  1    313.1090000             -0.0007350        
  2     92.5276000             -0.0066420        
  3     35.4191000             -0.0338840        
  4     15.1577000             -0.1226080        
  5      6.9096400             -0.3500800        
  6      3.2725600             -0.3191570        
  7      1.5493600              0.7228530        
  8      0.7170940              0.4559420        
  9      0.3193100             -1.0589930        
 10      0.1341570              0.1545530        
D   1
  1      0.0514000              1.0000000        
F   1
  1      4.4261000              1.0000000        
F   1
  1      1.2989000              1.0000000        
F   1
  1      0.3812000              1.0000000        
G   1
  1      3.1273000              1.0000000        
G   1
  1      0.8520000              1.0000000        
H   1
  1      1.9660000              1.0000000        


