# all_value

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(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(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-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        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Fe
data:
IRON
S   21
  1      0.1327714E+08          0.0000600        
  2 1987888.0000000             0.0001700        
  3 452387.1000000              0.0004500        
  4 128143.7000000              0.0010930        
  5  41809.1700000              0.0026130        
  6  15095.3300000              0.0062600        
  7   5888.4380000              0.0151950        
  8   2442.8760000              0.0365770        
  9   1065.8570000              0.0833750        
 10    484.9096000              0.1676340        
 11    228.4585000              0.2688600        
 12    110.7453000              0.2852350        
 13     54.4311600              0.1525320        
 14     25.0109600              0.0633810        
 15     12.5926200              0.0967240        
 16      6.3232020              0.0654700        
 17      2.8833840              0.0079630        
 18      1.3828680             -0.0002530        
 19      0.6322010             -0.0000320        
 20      0.1492380             -0.0000070        
 21      0.0684940              0.0000190        
S   21
  1      0.1327714E+08         -0.0000310        
  2 1987888.0000000            -0.0000880        
  3 452387.1000000             -0.0002320        
  4 128143.7000000             -0.0005650        
  5  41809.1700000             -0.0013530        
  6  15095.3300000             -0.0032560        
  7   5888.4380000             -0.0079480        
  8   2442.8760000             -0.0194130        
  9   1065.8570000             -0.0453820        
 10    484.9096000             -0.0967990        
 11    228.4585000             -0.1739720        
 12    110.7453000             -0.2350940        
 13     54.4311600             -0.1511880        
 14     25.0109600              0.2012780        
 15     12.5926200              0.5494000        
 16      6.3232020              0.3609330        
 17      2.8833840              0.0465600        
 18      1.3828680             -0.0040160        
 19      0.6322010             -0.0004730        
 20      0.1492380             -0.0002090        
 21      0.0684940              0.0002150        
S   21
  1      0.1327714E+08          0.0000070        
  2 1987888.0000000             0.0000210        
  3 452387.1000000              0.0000540        
  4 128143.7000000              0.0001320        
  5  41809.1700000              0.0003160        
  6  15095.3300000              0.0007640        
  7   5888.4380000              0.0018690        
  8   2442.8760000              0.0046210        
  9   1065.8570000              0.0109610        
 10    484.9096000              0.0243640        
 11    228.4585000              0.0465960        
 12    110.7453000              0.0713740        
 13     54.4311600              0.0498900        
 14     25.0109600             -0.0995880        
 15     12.5926200             -0.3739230        
 16      6.3232020             -0.3489040        
 17      2.8833840              0.2920800        
 18      1.3828680              0.6871120        
 19      0.6322010              0.3152790        
 20      0.1492380              0.0138550        
 21      0.0684940             -0.0034390        
S   21
  1      0.1327714E+08         -0.0000020        
  2 1987888.0000000            -0.0000040        
  3 452387.1000000             -0.0000120        
  4 128143.7000000             -0.0000290        
  5  41809.1700000             -0.0000690        
  6  15095.3300000             -0.0001670        
  7   5888.4380000             -0.0004080        
  8   2442.8760000             -0.0010090        
  9   1065.8570000             -0.0023900        
 10    484.9096000             -0.0053290        
 11    228.4585000             -0.0101780        
 12    110.7453000             -0.0157200        
 13     54.4311600             -0.0109200        
 14     25.0109600              0.0220630        
 15     12.5926200              0.0880750        
 16      6.3232020              0.0836500        
 17      2.8833840             -0.0817500        
 18      1.3828680             -0.2293920        
 19      0.6322010             -0.2098240        
 20      0.1492380              0.3095030        
 21      0.0684940              0.5849850        
S   21
  1      0.1327714E+08         -0.0000030        
  2 1987888.0000000            -0.0000090        
  3 452387.1000000             -0.0000240        
  4 128143.7000000             -0.0000590        
  5  41809.1700000             -0.0001370        
  6  15095.3300000             -0.0003440        
  7   5888.4380000             -0.0007940        
  8   2442.8760000             -0.0021300        
  9   1065.8570000             -0.0045440        
 10    484.9096000             -0.0115700        
 11    228.4585000             -0.0184810        
 12    110.7453000             -0.0369330        
 13     54.4311600             -0.0115290        
 14     25.0109600              0.0192290        
 15     12.5926200              0.2443040        
 16      6.3232020              0.0827020        
 17      2.8833840             -0.0399450        
 18      1.3828680             -1.0397040        
 19      0.6322010              0.4953030        
 20      0.1492380              1.6957440        
 21      0.0684940             -0.9636980        
S   21
  1      0.1327714E+08         -0.0000050        
  2 1987888.0000000            -0.0000150        
  3 452387.1000000             -0.0000390        
  4 128143.7000000             -0.0000960        
  5  41809.1700000             -0.0002240        
  6  15095.3300000             -0.0005620        
  7   5888.4380000             -0.0013010        
  8   2442.8760000             -0.0034750        
  9   1065.8570000             -0.0074620        
 10    484.9096000             -0.0188700        
 11    228.4585000             -0.0305680        
 12    110.7453000             -0.0602890        
 13     54.4311600             -0.0205920        
 14     25.0109600              0.0357860        
 15     12.5926200              0.4216870        
 16      6.3232020              0.2092330        
 17      2.8833840             -0.4975030        
 18      1.3828680             -1.8683190        
 19      0.6322010              2.7545840        
 20      0.1492380             -0.8331090        
 21      0.0684940             -1.2311520        
S   21
  1      0.1327714E+08         -0.0000060        
  2 1987888.0000000            -0.0000170        
  3 452387.1000000             -0.0000450        
  4 128143.7000000             -0.0001070        
  5  41809.1700000             -0.0002720        
  6  15095.3300000             -0.0005940        
  7   5888.4380000             -0.0016900        
  8   2442.8760000             -0.0033830        
  9   1065.8570000             -0.0105020        
 10    484.9096000             -0.0164400        
 11    228.4585000             -0.0496220        
 12    110.7453000             -0.0365410        
 13     54.4311600             -0.0969090        
 14     25.0109600              0.2140750        
 15     12.5926200              0.2010450        
 16      6.3232020              0.9699410        
 17      2.8833840             -3.1426280        
 18      1.3828680              2.1267050        
 19      0.6322010              0.6989570        
 20      0.1492380             -3.7298890        
 21      0.0684940              5.1457330        
S   1
  1      0.0303810              1.0000000        
P   17
  1  38282.0500000              0.0000510        
  2   9061.5560000              0.0001930        
  3   2944.4500000              0.0008070        
  4   1128.1580000              0.0030540        
  5    480.3380000              0.0105910        
  6    220.1368000              0.0321420        
  7    106.5482000              0.0836490        
  8     53.7426200              0.1771500        
  9     27.8631800              0.2890860        
 10     14.7438200              0.3291570        
 11      7.8933510              0.2104230        
 12      4.1794970              0.0551740        
 13      2.1656690              0.0015110        
 14      1.0972400             -0.0021830        
 15      0.5360850             -0.0012180        
 16      0.2024530             -0.0000850        
 17      0.0816950             -0.0000020        
P   17
  1  38282.0500000             -0.0000180        
  2   9061.5560000             -0.0000680        
  3   2944.4500000             -0.0002850        
  4   1128.1580000             -0.0010820        
  5    480.3380000             -0.0037730        
  6    220.1368000             -0.0116110        
  7    106.5482000             -0.0309030        
  8     53.7426200             -0.0678610        
  9     27.8631800             -0.1153490        
 10     14.7438200             -0.1389140        
 11      7.8933510             -0.0466250        
 12      4.1794970              0.1946700        
 13      2.1656690              0.4040100        
 14      1.0972400              0.3786780        
 15      0.5360850              0.1665960        
 16      0.2024530              0.0175340        
 17      0.0816950             -0.0013550        
P   17
  1  38282.0500000              0.0000040        
  2   9061.5560000              0.0000150        
  3   2944.4500000              0.0000620        
  4   1128.1580000              0.0002350        
  5    480.3380000              0.0008270        
  6    220.1368000              0.0025220        
  7    106.5482000              0.0067960        
  8     53.7426200              0.0147820        
  9     27.8631800              0.0256530        
 10     14.7438200              0.0303130        
 11      7.8933510              0.0102010        
 12      4.1794970             -0.0531930        
 13      2.1656690             -0.1036780        
 14      1.0972400             -0.1209980        
 15      0.5360850              0.0031080        
 16      0.2024530              0.3283150        
 17      0.0816950              0.5422430        
P   17
  1  38282.0500000              0.0000060        
  2   9061.5560000              0.0000230        
  3   2944.4500000              0.0000960        
  4   1128.1580000              0.0003580        
  5    480.3380000              0.0012700        
  6    220.1368000              0.0038420        
  7    106.5482000              0.0104410        
  8     53.7426200              0.0224790        
  9     27.8631800              0.0395990        
 10     14.7438200              0.0459830        
 11      7.8933510              0.0175790        
 12      4.1794970             -0.0850280        
 13      2.1656690             -0.1609090        
 14      1.0972400             -0.1945280        
 15      0.5360850              0.0582050        
 16      0.2024530              0.6259810        
 17      0.0816950              0.4271460        
P   17
  1  38282.0500000              0.0000130        
  2   9061.5560000              0.0000460        
  3   2944.4500000              0.0002060        
  4   1128.1580000              0.0007160        
  5    480.3380000              0.0027590        
  6    220.1368000              0.0076430        
  7    106.5482000              0.0228730        
  8     53.7426200              0.0440810        
  9     27.8631800              0.0899840        
 10     14.7438200              0.0853400        
 11      7.8933510              0.0772780        
 12      4.1794970             -0.2972450        
 13      2.1656690             -0.4067180        
 14      1.0972400             -0.3121550        
 15      0.5360850              1.2052550        
 16      0.2024530              0.1894990        
 17      0.0816950             -0.8424540        
P   17
  1  38282.0500000             -0.0000160        
  2   9061.5560000             -0.0000650        
  3   2944.4500000             -0.0002560        
  4   1128.1580000             -0.0010400        
  5    480.3380000             -0.0033700        
  6    220.1368000             -0.0112410        
  7    106.5482000             -0.0275820        
  8     53.7426200             -0.0670210        
  9     27.8631800             -0.1006940        
 10     14.7438200             -0.1703110        
 11      7.8933510             -0.0783230        
 12      4.1794970              0.6077450        
 13      2.1656690              0.9645760        
 14      1.0972400             -1.7927730        
 15      0.5360850             -0.0262890        
 16      0.2024530              1.5460990        
 17      0.0816950             -1.0949690        
P   1
  1      0.0326140              1.0000000        
D   10
  1    350.9950000              0.0003590        
  2    103.6670000              0.0031850        
  3     39.7043000              0.0161760        
  4     17.0310000              0.0545530        
  5      7.7890200              0.1367300        
  6      3.6995500              0.2420240        
  7      1.7553200              0.3084870        
  8      0.8128450              0.3004030        
  9      0.3614410              0.2164630        
 10      0.1513460              0.0943300        
D   10
  1    350.9950000             -0.0003950        
  2    103.6670000             -0.0035300        
  3     39.7043000             -0.0179410        
  4     17.0310000             -0.0614610        
  5      7.7890200             -0.1583160        
  6      3.6995500             -0.2693400        
  7      1.7553200             -0.2412260        
  8      0.8128450              0.0585700        
  9      0.3614410              0.4116150        
 10      0.1513460              0.4361600        
D   10
  1    350.9950000             -0.0005700        
  2    103.6670000             -0.0051170        
  3     39.7043000             -0.0262340        
  4     17.0310000             -0.0920690        
  5      7.7890200             -0.2464400        
  6      3.6995500             -0.3502150        
  7      1.7553200              0.0307360        
  8      0.8128450              0.6477360        
  9      0.3614410              0.2400240        
 10      0.1513460             -0.6048030        
D   10
  1    350.9950000             -0.0008190        
  2    103.6670000             -0.0070130        
  3     39.7043000             -0.0378470        
  4     17.0310000             -0.1314140        
  5      7.7890200             -0.4094000        
  6      3.6995500             -0.2893670        
  7      1.7553200              0.9175770        
  8      0.8128450              0.2020840        
  9      0.3614410             -1.0761670        
 10      0.1513460              0.4017690        
D   1
  1      0.0575130              1.0000000        
F   1
  1      5.1588000              1.0000000        
F   1
  1      1.5344000              1.0000000        
F   1
  1      0.4564000              1.0000000        
G   1
  1      3.7476000              1.0000000        
G   1
  1      1.0505000              1.0000000        
H   1
  1      2.3448000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Co
data:
COBALT
S   21
  1      0.1437022E+08          0.0000630        
  2 2151540.0000000             0.0001780        
  3 489625.7000000              0.0004680        
  4 138690.3000000              0.0011300        
  5  45249.8900000              0.0026830        
  6  16337.6200000              0.0063740        
  7   6373.0730000              0.0153380        
  8   2643.9580000              0.0366560        
  9   1153.6140000              0.0831830        
 10    524.8606000              0.1668550        
 11    247.3069000              0.2672920        
 12    119.9063000              0.2833740        
 13     58.9642900              0.1517480        
 14     27.1361600              0.0652490        
 15     13.6891200              0.1004050        
 16      6.8827710              0.0672310        
 17      3.1446470              0.0081260        
 18      1.5062660             -0.0002610        
 19      0.6872680             -0.0000390        
 20      0.1609720             -0.0000080        
 21      0.0730170              0.0000140        
S   21
  1      0.1437022E+08         -0.0000330        
  2 2151540.0000000            -0.0000940        
  3 489625.7000000             -0.0002460        
  4 138690.3000000             -0.0005960        
  5  45249.8900000             -0.0014180        
  6  16337.6200000             -0.0033820        
  7   6373.0730000             -0.0081850        
  8   2643.9580000             -0.0198490        
  9   1153.6140000             -0.0461910        
 10    524.8606000             -0.0982720        
 11    247.3069000             -0.1763040        
 12    119.9063000             -0.2377920        
 13     58.9642900             -0.1523860        
 14     27.1361600              0.2036220        
 15     13.6891200              0.5501680        
 16      6.8827710              0.3578070        
 17      3.1446470              0.0457660        
 18      1.5062660             -0.0038900        
 19      0.6872680             -0.0004840        
 20      0.1609720             -0.0002010        
 21      0.0730170              0.0001790        
S   21
  1      0.1437022E+08          0.0000080        
  2 2151540.0000000             0.0000220        
  3 489625.7000000              0.0000570        
  4 138690.3000000              0.0001390        
  5  45249.8900000              0.0003300        
  6  16337.6200000              0.0007910        
  7   6373.0730000              0.0019200        
  8   2643.9580000              0.0047140        
  9   1153.6140000              0.0111330        
 10    524.8606000              0.0246990        
 11    247.3069000              0.0472060        
 12    119.9063000              0.0722950        
 13     58.9642900              0.0503830        
 14     27.1361600             -0.1023930        
 15     13.6891200             -0.3802180        
 16      6.8827710             -0.3454400        
 17      3.1446470              0.3024920        
 18      1.5062660              0.6860590        
 19      0.6872680              0.3089540        
 20      0.1609720              0.0132060        
 21      0.0730170             -0.0031170        
S   21
  1      0.1437022E+08         -0.0000020        
  2 2151540.0000000            -0.0000050        
  3 489625.7000000             -0.0000120        
  4 138690.3000000             -0.0000300        
  5  45249.8900000             -0.0000700        
  6  16337.6200000             -0.0001690        
  7   6373.0730000             -0.0004100        
  8   2643.9580000             -0.0010070        
  9   1153.6140000             -0.0023760        
 10    524.8606000             -0.0052860        
 11    247.3069000             -0.0100900        
 12    119.9063000             -0.0155790        
 13     58.9642900             -0.0107950        
 14     27.1361600              0.0222270        
 15     13.6891200              0.0876570        
 16      6.8827710              0.0809210        
 17      3.1446470             -0.0827610        
 18      1.5062660             -0.2246610        
 19      0.6872680             -0.2015800        
 20      0.1609720              0.3017660        
 21      0.0730170              0.5810930        
S   21
  1      0.1437022E+08         -0.0000030        
  2 2151540.0000000            -0.0000090        
  3 489625.7000000             -0.0000240        
  4 138690.3000000             -0.0000590        
  5  45249.8900000             -0.0001380        
  6  16337.6200000             -0.0003430        
  7   6373.0730000             -0.0007880        
  8   2643.9580000             -0.0020850        
  9   1153.6140000             -0.0044670        
 10    524.8606000             -0.0112370        
 11    247.3069000             -0.0181850        
 12    119.9063000             -0.0356690        
 13     58.9642900             -0.0119320        
 14     27.1361600              0.0212370        
 15     13.6891200              0.2348300        
 16      6.8827710              0.0848480        
 17      3.1446470             -0.0615640        
 18      1.5062660             -0.9633490        
 19      0.6872680              0.4435460        
 20      0.1609720              1.5994950        
 21      0.0730170             -0.7695260        
S   21
  1      0.1437022E+08         -0.0000060        
  2 2151540.0000000            -0.0000160        
  3 489625.7000000             -0.0000420        
  4 138690.3000000             -0.0001020        
  5  45249.8900000             -0.0002390        
  6  16337.6200000             -0.0005910        
  7   6373.0730000             -0.0013670        
  8   2643.9580000             -0.0035830        
  9   1153.6140000             -0.0077820        
 10    524.8606000             -0.0192710        
 11    247.3069000             -0.0320140        
 12    119.9063000             -0.0609120        
 13     58.9642900             -0.0236150        
 14     27.1361600              0.0437420        
 15     13.6891200              0.4195750        
 16      6.8827710              0.2454930        
 17      3.1446470             -0.5913480        
 18      1.5062660             -1.7723080        
 19      0.6872680              2.6790200        
 20      0.1609720             -0.7274990        
 21      0.0730170             -1.2747080        
S   21
  1      0.1437022E+08         -0.0000060        
  2 2151540.0000000            -0.0000180        
  3 489625.7000000             -0.0000470        
  4 138690.3000000             -0.0001110        
  5  45249.8900000             -0.0002800        
  6  16337.6200000             -0.0006050        
  7   6373.0730000             -0.0017140        
  8   2643.9580000             -0.0033760        
  9   1153.6140000             -0.0105710        
 10    524.8606000             -0.0161940        
 11    247.3069000             -0.0500370        
 12    119.9063000             -0.0349470        
 13     58.9642900             -0.0993410        
 14     27.1361600              0.2194560        
 15     13.6891200              0.1784260        
 16      6.8827710              1.0401950        
 17      3.1446470             -3.3014820        
 18      1.5062660              2.3454950        
 19      0.6872680              0.5436570        
 20      0.1609720             -3.5761260        
 21      0.0730170              4.9421090        
S   1
  1      0.0320710              1.0000000        
P   17
  1  41961.4000000              0.0000530        
  2   9928.3060000              0.0001980        
  3   3224.9710000              0.0008160        
  4   1235.2930000              0.0030540        
  5    525.8469000              0.0105440        
  6    240.9762000              0.0319630        
  7    116.6418000              0.0832750        
  8     58.8483400              0.1768010        
  9     30.5291000              0.2892520        
 10     16.1694300              0.3294090        
 11      8.6642360              0.2103030        
 12      4.5919430              0.0551480        
 13      2.3810480              0.0015780        
 14      1.2062460             -0.0021450        
 15      0.5888220             -0.0011880        
 16      0.2248930             -0.0000800        
 17      0.0904480             -0.0000030        
P   17
  1  41961.4000000             -0.0000190        
  2   9928.3060000             -0.0000710        
  3   3224.9710000             -0.0002910        
  4   1235.2930000             -0.0010940        
  5    525.8469000             -0.0037960        
  6    240.9762000             -0.0116670        
  7    116.6418000             -0.0310950        
  8     58.8483400             -0.0684730        
  9     30.5291000             -0.1168130        
 10     16.1694300             -0.1403400        
 11      8.6642360             -0.0455310        
 12      4.5919430              0.1979890        
 13      2.3810480              0.4052460        
 14      1.2062460              0.3766180        
 15      0.5888220              0.1642500        
 16      0.2248930              0.0173260        
 17      0.0904480             -0.0011590        
P   17
  1  41961.4000000              0.0000040        
  2   9928.3060000              0.0000160        
  3   3224.9710000              0.0000640        
  4   1235.2930000              0.0002400        
  5    525.8469000              0.0008410        
  6    240.9762000              0.0025640        
  7    116.6418000              0.0069140        
  8     58.8483400              0.0150970        
  9     30.5291000              0.0262560        
 10     16.1694300              0.0310480        
 11      8.6642360              0.0100640        
 12      4.5919430             -0.0546020        
 13      2.3810480             -0.1063460        
 14      1.2062460             -0.1210550        
 15      0.5888220              0.0063130        
 16      0.2248930              0.3283220        
 17      0.0904480              0.5404380        
P   17
  1  41961.4000000              0.0000070        
  2   9928.3060000              0.0000250        
  3   3224.9710000              0.0001030        
  4   1235.2930000              0.0003800        
  5    525.8469000              0.0013410        
  6    240.9762000              0.0040530        
  7    116.6418000              0.0110330        
  8     58.8483400              0.0238220        
  9     30.5291000              0.0421320        
 10     16.1694300              0.0489260        
 11      8.6642360              0.0182370        
 12      4.5919430             -0.0927790        
 13      2.3810480             -0.1742910        
 14      1.2062460             -0.1949580        
 15      0.5888220              0.0866440        
 16      0.2248930              0.6196070        
 17      0.0904480              0.4155170        
P   17
  1  41961.4000000              0.0000140        
  2   9928.3060000              0.0000490        
  3   3224.9710000              0.0002170        
  4   1235.2930000              0.0007530        
  5    525.8469000              0.0028520        
  6    240.9762000              0.0080000        
  7    116.6418000              0.0236410        
  8     58.8483400              0.0464590        
  9     30.5291000              0.0930840        
 10     16.1694300              0.0921130        
 11      8.6642360              0.0774220        
 12      4.5919430             -0.3214270        
 13      2.3810480             -0.4386490        
 14      1.2062460             -0.2191060        
 15      0.5888220              1.1794450        
 16      0.2248930              0.1324390        
 17      0.0904480             -0.8109210        
P   17
  1  41961.4000000              0.0000180        
  2   9928.3060000              0.0000680        
  3   3224.9710000              0.0002720        
  4   1235.2930000              0.0010650        
  5    525.8469000              0.0035430        
  6    240.9762000              0.0114310        
  7    116.6418000              0.0291160        
  8     58.8483400              0.0681050        
  9     30.5291000              0.1082440        
 10     16.1694300              0.1709700        
 11      8.6642360              0.1038320        
 12      4.5919430             -0.7477390        
 13      2.3810480             -0.8092780        
 14      1.2062460              1.8373640        
 15      0.5888220             -0.1406610        
 16      0.2248930             -1.4398920        
 17      0.0904480              1.0498300        
P   1
  1      0.0358200              1.0000000        
D   10
  1    371.5660000              0.0003980        
  2    110.1150000              0.0034810        
  3     42.4255000              0.0173620        
  4     18.3369000              0.0576820        
  5      8.4573000              0.1418110        
  6      4.0417900              0.2456560        
  7      1.9260300              0.3075020        
  8      0.8942810              0.2955950        
  9      0.3979880              0.2121670        
 10      0.1665000              0.0928960        
D   10
  1    371.5660000             -0.0004600        
  2    110.1150000             -0.0040610        
  3     42.4255000             -0.0202580        
  4     18.3369000             -0.0685820        
  5      8.4573000             -0.1734630        
  6      4.0417900             -0.2858720        
  7      1.9260300             -0.2288420        
  8      0.8942810              0.1000240        
  9      0.3979880              0.4213280        
 10      0.1665000              0.4054680        
D   10
  1    371.5660000             -0.0006110        
  2    110.1150000             -0.0054160        
  3     42.4255000             -0.0272350        
  4     18.3369000             -0.0942080        
  5      8.4573000             -0.2495960        
  6      4.0417900             -0.3440740        
  7      1.9260300              0.0830320        
  8      0.8942810              0.6510980        
  9      0.3979880              0.1778030        
 10      0.1665000             -0.6155820        
D   10
  1    371.5660000             -0.0009190        
  2    110.1150000             -0.0075970        
  3     42.4255000             -0.0410110        
  4     18.3369000             -0.1379990        
  5      8.4573000             -0.4392740        
  6      4.0417900             -0.2345360        
  7      1.9260300              0.9736790        
  8      0.8942810              0.0750400        
  9      0.3979880             -1.0306680        
 10      0.1665000              0.4434900        
D   1
  1      0.0630250              1.0000000        
F   1
  1      5.9410000              1.0000000        
F   1
  1      1.7850000              1.0000000        
F   1
  1      0.5363000              1.0000000        
G   1
  1      4.3870000              1.0000000        
G   1
  1      1.2510000              1.0000000        
H   1
  1      2.7485000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Ni
data:
NICKEL
S   19
  1 15503020.0000000            0.0000680        
  2 2321071.0000000             0.0001920        
  3 528180.2000000              0.0005030        
  4 149604.0000000              0.0012080        
  5  48809.0700000              0.0028490        
  6  17622.3900000              0.0067150        
  7   6874.2010000              0.0160260        
  8   2851.8570000              0.0380450        
  9   1244.3340000              0.0860160        
 10    566.1547000              0.1724730        
 11    266.7873000              0.2771470        
 12    129.3752000              0.2968780        
 13     63.6516100              0.1607220        
 14     29.3330200              0.0532090        
 15     14.8221200              0.0670780        
 16      7.4605130              0.0451040        
 17      3.4135760              0.0051630        
 18      1.6328840             -0.0001680        
 19      0.7435790             -0.0000810        
S   21
  1 15503020.0000000           -0.0000310        
  2 2321071.0000000            -0.0000870        
  3 528180.2000000             -0.0002280        
  4 149604.0000000             -0.0005490        
  5  48809.0700000             -0.0012970        
  6  17622.3900000             -0.0030720        
  7   6874.2010000             -0.0073790        
  8   2851.8570000             -0.0178050        
  9   1244.3340000             -0.0413840        
 10    566.1547000             -0.0884770        
 11    266.7873000             -0.1605330        
 12    129.3752000             -0.2211450        
 13     63.6516100             -0.1429300        
 14     29.3330200              0.2105090        
 15     14.8221200              0.5571780        
 16      7.4605130              0.3587470        
 17      3.4135760              0.0448050        
 18      1.6328840             -0.0047710        
 19      0.7435790             -0.0009710        
 20      0.1725920             -0.0002250        
 21      0.0774200              0.0001450        
S   21
  1 15503020.0000000            0.0000080        
  2 2321071.0000000             0.0000230        
  3 528180.2000000              0.0000600        
  4 149604.0000000              0.0001450        
  5  48809.0700000              0.0003430        
  6  17622.3900000              0.0008140        
  7   6874.2010000              0.0019600        
  8   2851.8570000              0.0047790        
  9   1244.3340000              0.0112410        
 10    566.1547000              0.0248800        
 11    266.7873000              0.0475220        
 12    129.3752000              0.0727080        
 13     63.6516100              0.0504870        
 14     29.3330200             -0.1049100        
 15     14.8221200             -0.3841580        
 16      7.4605130             -0.3405100        
 17      3.4135760              0.3128690        
 18      1.6328840              0.6787890        
 19      0.7435790              0.3074190        
 20      0.1725920              0.0146650        
 21      0.0774200             -0.0039540        
S   21
  1 15503020.0000000           -0.0000020        
  2 2321071.0000000            -0.0000050        
  3 528180.2000000             -0.0000130        
  4 149604.0000000             -0.0000310        
  5  48809.0700000             -0.0000730        
  6  17622.3900000             -0.0001730        
  7   6874.2010000             -0.0004150        
  8   2851.8570000             -0.0010130        
  9   1244.3340000             -0.0023810        
 10    566.1547000             -0.0052860        
 11    266.7873000             -0.0100820        
 12    129.3752000             -0.0155550        
 13     63.6516100             -0.0107280        
 14     29.3330200              0.0225870        
 15     14.8221200              0.0878230        
 16      7.4605130              0.0787500        
 17      3.4135760             -0.0841310        
 18      1.6328840             -0.2212350        
 19      0.7435790             -0.1943700        
 20      0.1725920              0.2958150        
 21      0.0774200              0.5768850        
S   21
  1 15503020.0000000           -0.0000040        
  2 2321071.0000000            -0.0000100        
  3 528180.2000000             -0.0000260        
  4 149604.0000000             -0.0000630        
  5  48809.0700000             -0.0001460        
  6  17622.3900000             -0.0003590        
  7   6874.2010000             -0.0008240        
  8   2851.8570000             -0.0021470        
  9   1244.3340000             -0.0046300        
 10    566.1547000             -0.0114660        
 11    266.7873000             -0.0188850        
 12    129.3752000             -0.0360910        
 13     63.6516100             -0.0131930        
 14     29.3330200              0.0249350        
 15     14.8221200              0.2351510        
 16      7.4605130              0.0995590        
 17      3.4135760             -0.0991250        
 18      1.6328840             -0.9520230        
 19      0.7435790              0.4790000        
 20      0.1725920              1.4997280        
 21      0.0774200             -0.6533590        
S   21
  1 15503020.0000000           -0.0000060        
  2 2321071.0000000            -0.0000170        
  3 528180.2000000             -0.0000450        
  4 149604.0000000             -0.0001080        
  5  48809.0700000             -0.0002530        
  6  17622.3900000             -0.0006140        
  7   6874.2010000             -0.0014330        
  8   2851.8570000             -0.0036470        
  9   1244.3340000             -0.0081260        
 10    566.1547000             -0.0193360        
 11    266.7873000             -0.0337780        
 12    129.3752000             -0.0597330        
 13     63.6516100             -0.0291950        
 14     29.3330200              0.0576720        
 15     14.8221200              0.3962980        
 16      7.4605130              0.3262820        
 17      3.4135760             -0.7659990        
 18      1.6328840             -1.5951110        
 19      0.7435790              2.6051560        
 20      0.1725920             -0.7647690        
 21      0.0774200             -1.1749130        
S   21
  1 15503020.0000000           -0.0000070        
  2 2321071.0000000            -0.0000190        
  3 528180.2000000             -0.0000500        
  4 149604.0000000             -0.0001170        
  5  48809.0700000             -0.0002940        
  6  17622.3900000             -0.0006290        
  7   6874.2010000             -0.0017690        
  8   2851.8570000             -0.0034530        
  9   1244.3340000             -0.0108110        
 10    566.1547000             -0.0163970        
 11    266.7873000             -0.0511320        
 12    129.3752000             -0.0347730        
 13     63.6516100             -0.1020090        
 14     29.3330200              0.2248130        
 15     14.8221200              0.1666290        
 16      7.4605130              1.1504080        
 17      3.4135760             -3.6677600        
 18      1.6328840              2.9089060        
 19      0.7435790              0.1233070        
 20      0.1725920             -3.2568870        
 21      0.0774200              4.6303440        
S   1
  1      0.0337010              1.0000000        
P   17
  1  45066.6200000              0.0000570        
  2  10662.6400000              0.0002080        
  3   3463.4310000              0.0008460        
  4   1326.6240000              0.0031340        
  5    564.7414000              0.0107650        
  6    258.8288000              0.0325410        
  7    125.3115000              0.0846200        
  8     63.2423300              0.1792530        
  9     32.8240600              0.2920770        
 10     17.3969200              0.3290800        
 11      9.3243940              0.2060500        
 12      4.9388390              0.0521800        
 13      2.5620250              0.0007930        
 14      1.2992940             -0.0024970        
 15      0.6346780             -0.0013400        
 16      0.2325994             -0.0000960        
 17      0.0915230              0.0000050        
P   17
  1  45066.6200000             -0.0000200        
  2  10662.6400000             -0.0000740        
  3   3463.4310000             -0.0003020        
  4   1326.6240000             -0.0011260        
  5    564.7414000             -0.0038860        
  6    258.8288000             -0.0119180        
  7    125.3115000             -0.0317080        
  8     63.2423300             -0.0697490        
  9     32.8240600             -0.1185830        
 10     17.3969200             -0.1405920        
 11      9.3243940             -0.0391820        
 12      4.9388390              0.2070370        
 13      2.5620250              0.4068660        
 14      1.2992940              0.3672130        
 15      0.6346780              0.1625320        
 16      0.2325994              0.0179490        
 17      0.0915230             -0.0016100        
P   17
  1  45066.6200000              0.0000040        
  2  10662.6400000              0.0000150        
  3   3463.4310000              0.0000620        
  4   1326.6240000              0.0002270        
  5    564.7414000              0.0007940        
  6    258.8288000              0.0024100        
  7    125.3115000              0.0065010        
  8     63.2423300              0.0141420        
  9     32.8240600              0.0246010        
 10     17.3969200              0.0284870        
 11      9.3243940              0.0079730        
 12      4.9388390             -0.0524750        
 13      2.5620250             -0.0961500        
 14      1.2992940             -0.1098910        
 15      0.6346780              0.0052770        
 16      0.2325994              0.3160560        
 17      0.0915230              0.5414170        
P   17
  1  45066.6200000              0.0000090        
  2  10662.6400000              0.0000310        
  3   3463.4310000              0.0001290        
  4   1326.6240000              0.0004670        
  5    564.7414000              0.0016690        
  6    258.8288000              0.0049420        
  7    125.3115000              0.0137030        
  8     63.2423300              0.0288820        
  9     32.8240600              0.0525090        
 10     17.3969200              0.0575250        
 11      9.3243940              0.0233410        
 12      4.9388390             -0.1314790        
 13      2.5620250             -0.2125180        
 14      1.2992940             -0.2149510        
 15      0.6346780              0.2264290        
 16      0.2325994              0.6390330        
 17      0.0915230              0.3129740        
P   17
  1  45066.6200000              0.0000150        
  2  10662.6400000              0.0000540        
  3   3463.4310000              0.0002330        
  4   1326.6240000              0.0008060        
  5    564.7414000              0.0030230        
  6    258.8288000              0.0085050        
  7    125.3115000              0.0249740        
  8     63.2423300              0.0493100        
  9     32.8240600              0.0977120        
 10     17.3969200              0.0978230        
 11      9.3243940              0.0747930        
 12      4.9388390             -0.3728930        
 13      2.5620250             -0.4521070        
 14      1.2992940             -0.0831810        
 15      0.6346780              1.1810810        
 16      0.2325994             -0.0996300        
 17      0.0915230             -0.7437020        
P   17
  1  45066.6200000              0.0000210        
  2  10662.6400000              0.0000770        
  3   3463.4310000              0.0003040        
  4   1326.6240000              0.0011710        
  5    564.7414000              0.0039020        
  6    258.8288000              0.0124890        
  7    125.3115000              0.0320120        
  8     63.2423300              0.0742030        
  9     32.8240600              0.1186720        
 10     17.3969200              0.1888440        
 11      9.3243940              0.1042450        
 12      4.9388390             -0.9857230        
 13      2.5620250             -0.5224120        
 14      1.2992940              2.0084850        
 15      0.6346780             -0.6516730        
 16      0.2325994             -1.0910670        
 17      0.0915230              1.0098080        
P   1
  1      0.0355740              1.0000000        
D   10
  1    432.2741887              0.0003510        
  2    127.4570298              0.0031160        
  3     48.83096424             0.0160110        
  4     21.01674656             0.0546140        
  5      9.65710264             0.1364950        
  6      4.60305286             0.2389110        
  7      2.18924426             0.3000020        
  8      1.01439313             0.2906960        
  9      0.45035253             0.2209770        
 10      0.18765306             0.1203230        
D   10
  1    432.2741887             -0.0003600        
  2    127.4570298             -0.0032190        
  3     48.83096424            -0.0165480        
  4     21.01674656            -0.0572710        
  5      9.65710264            -0.1468730        
  6      4.60305286            -0.2479010        
  7      2.18924426            -0.2234890        
  8      1.01439313             0.0132390        
  9      0.45035253             0.3104770        
 10      0.18765306             0.4522510        
D   10
  1    432.2741887              0.0005070        
  2    127.4570298              0.0045770        
  3     48.83096424             0.0235490        
  4     21.01674656             0.0831870        
  5      9.65710264             0.2210890        
  6      4.60305286             0.3398130        
  7      2.18924426             0.0390780        
  8      1.01439313            -0.5221520        
  9      0.45035253            -0.3950570        
 10      0.18765306             0.3656590        
D   10
  1    432.2741887             -0.0007300        
  2    127.4570298             -0.0062770        
  3     48.83096424            -0.0340630        
  4     21.01674656            -0.1184390        
  5      9.65710264            -0.3663900        
  6      4.60305286            -0.3205530        
  7      2.18924426             0.6939770        
  8      1.01439313             0.4623840        
  9      0.45035253            -0.8214790        
 10      0.18765306            -0.1860170        
D   1
  1      0.07047793             1.0000000        
F   1
  1      6.8303000              1.0000000        
F   1
  1      2.0748000              1.0000000        
F   1
  1      0.6302000              1.0000000        
G   1
  1      5.3315000              1.0000000        
G   1
  1      1.5215000              1.0000000        
H   1
  1      3.1948000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Cu
data:
COPPER
S   21
  1 16665490.0000000            0.0000690        
  2 2495213.0000000             0.0001920        
  3 567850.7000000              0.0005020        
  4 160853.1000000              0.0012000        
  5  52481.8600000              0.0028120        
  6  18948.8500000              0.0065760        
  7   7391.6550000              0.0155630        
  8   3066.5170000              0.0366600        
  9   1337.9940000              0.0824010        
 10    608.7830000              0.1643320        
 11    286.8980000              0.2621450        
 12    139.1530000              0.2764660        
 13     68.4945500              0.1478900        
 14     31.6010800              0.0715990        
 15     15.9915800              0.1144220        
 16      8.0565100              0.0747330        
 17      3.6903290              0.0089010        
 18      1.7629020             -0.0003240        
 19      0.8012690             -0.0000580        
 20      0.1842430             -0.0000130        
 21      0.0817930              0.0000070        
S   21
  1 16665490.0000000           -0.0000390        
  2 2495213.0000000            -0.0001080        
  3 567850.7000000             -0.0002830        
  4 160853.1000000             -0.0006760        
  5  52481.8600000             -0.0015880        
  6  18948.8500000             -0.0037300        
  7   7391.6550000             -0.0088800        
  8   3066.5170000             -0.0212230        
  9   1337.9940000             -0.0488990        
 10    608.7830000             -0.1033220        
 11    286.8980000             -0.1841780        
 12    139.1530000             -0.2462790        
 13     68.4945500             -0.1557580        
 14     31.6010800              0.2083890        
 15     15.9915800              0.5500740        
 16      8.0565100              0.3499800        
 17      3.6903290              0.0438090        
 18      1.7629020             -0.0036690        
 19      0.8012690             -0.0005070        
 20      0.1842430             -0.0001860        
 21      0.0817930              0.0001150        
S   21
  1 16665490.0000000            0.0000090        
  2 2495213.0000000             0.0000240        
  3 567850.7000000              0.0000640        
  4 160853.1000000              0.0001530        
  5  52481.8600000              0.0003590        
  6  18948.8500000              0.0008470        
  7   7391.6550000              0.0020240        
  8   3066.5170000              0.0049000        
  9   1337.9940000              0.0114730        
 10    608.7830000              0.0253410        
 11    286.8980000              0.0483250        
 12    139.1530000              0.0738920        
 13     68.4945500              0.0509150        
 14     31.6010800             -0.1083140        
 15     15.9915800             -0.3914490        
 16      8.0565100             -0.3369910        
 17      3.6903290              0.3223440        
 18      1.7629020              0.6829570        
 19      0.8012690              0.2970280        
 20      0.1842430              0.0119740        
 21      0.0817930             -0.0026920        
S   21
  1 16665490.0000000           -0.0000020        
  2 2495213.0000000            -0.0000050        
  3 567850.7000000             -0.0000130        
  4 160853.1000000             -0.0000310        
  5  52481.8600000             -0.0000730        
  6  18948.8500000             -0.0001730        
  7   7391.6550000             -0.0004130        
  8   3066.5170000             -0.0010020        
  9   1337.9940000             -0.0023440        
 10    608.7830000             -0.0051920        
 11    286.8980000             -0.0098910        
 12    139.1530000             -0.0152450        
 13     68.4945500             -0.0104490        
 14     31.6010800              0.0225660        
 15     15.9915800              0.0864480        
 16      8.0565100              0.0753310        
 17      3.6903290             -0.0842130        
 18      1.7629020             -0.2151650        
 19      0.8012690             -0.1866230        
 20      0.1842430              0.2899280        
 21      0.0817930              0.5722780        
S   21
  1 16665490.0000000           -0.0000030        
  2 2495213.0000000            -0.0000090        
  3 567850.7000000             -0.0000240        
  4 160853.1000000             -0.0000590        
  5  52481.8600000             -0.0001370        
  6  18948.8500000             -0.0003320        
  7   7391.6550000             -0.0007580        
  8   3066.5170000             -0.0019560        
  9   1337.9940000             -0.0042140        
 10    608.7830000             -0.0103720        
 11    286.8980000             -0.0171440        
 12    139.1530000             -0.0325260        
 13     68.4945500             -0.0120170        
 14     31.6010800              0.0239630        
 15     15.9915800              0.2119610        
 16      8.0565100              0.0842800        
 17      3.6903290             -0.0894720        
 18      1.7629020             -0.8091960        
 19      0.8012690              0.3242170        
 20      0.1842430              1.4472890        
 21      0.0817930             -0.4431320        
S   21
  1 16665490.0000000           -0.0000070        
  2 2495213.0000000            -0.0000190        
  3 567850.7000000             -0.0000490        
  4 160853.1000000             -0.0001170        
  5  52481.8600000             -0.0002720        
  6  18948.8500000             -0.0006580        
  7   7391.6550000             -0.0015150        
  8   3066.5170000             -0.0038590        
  9   1337.9940000             -0.0084690        
 10    608.7830000             -0.0203920        
 11    286.8980000             -0.0348960        
 12    139.1530000             -0.0634080        
 13     68.4945500             -0.0280780        
 14     31.6010800              0.0570580        
 15     15.9915800              0.4302750        
 16      8.0565100              0.2973020        
 17      3.6903290             -0.7723650        
 18      1.7629020             -1.5798620        
 19      0.8012690              2.5350850        
 20      0.1842430             -0.5516530        
 21      0.0817930             -1.3122570        
S   21
  1 16665490.0000000           -0.0000070        
  2 2495213.0000000            -0.0000200        
  3 567850.7000000             -0.0000520        
  4 160853.1000000             -0.0001210        
  5  52481.8600000             -0.0003000        
  6  18948.8500000             -0.0006410        
  7   7391.6550000             -0.0017830        
  8   3066.5170000             -0.0034630        
  9   1337.9940000             -0.0107780        
 10    608.7830000             -0.0163220        
 11    286.8980000             -0.0508210        
 12    139.1530000             -0.0344510        
 13     68.4945500             -0.1011720        
 14     31.6010800              0.2246670        
 15     15.9915800              0.1699430        
 16      8.0565100              1.1132610        
 17      3.6903290             -3.5632140        
 18      1.7629020              2.7675090        
 19      0.8012690              0.2188800        
 20      0.1842430             -3.2660310        
 21      0.0817930              4.5609720        
S   1
  1      0.0353030              1.0000000        
P   16
  1  48218.4100000              0.0000610        
  2  11420.5500000              0.0002180        
  3   3713.5690000              0.0008730        
  4   1423.7620000              0.0031990        
  5    606.6041000              0.0109150        
  6    278.2564000              0.0328650        
  7    134.8449000              0.0852580        
  8     68.1225400              0.1802690        
  9     35.4008800              0.2930290        
 10     18.7902900              0.3282030        
 11     10.0835600              0.2037720        
 12      5.3461200              0.0514610        
 13      2.7752280              0.0013730        
 14      1.4075640             -0.0018930        
 15      0.6872130             -0.0010340        
 16      0.2473970             -0.0000600        
P   17
  1  48218.4100000             -0.0000220        
  2  11420.5500000             -0.0000790        
  3   3713.5690000             -0.0003170        
  4   1423.7620000             -0.0011670        
  5    606.6041000             -0.0040020        
  6    278.2564000             -0.0122280        
  7    134.8449000             -0.0324630        
  8     68.1225400             -0.0712940        
  9     35.4008800             -0.1210220        
 10     18.7902900             -0.1421450        
 11     10.0835600             -0.0363680        
 12      5.3461200              0.2125470        
 13      2.7752280              0.4098670        
 14      1.4075640              0.3653240        
 15      0.6872130              0.1559160        
 16      0.2473970              0.0154970        
 17      0.0961870             -0.0015450        
P   17
  1  48218.4100000              0.0000040        
  2  11420.5500000              0.0000150        
  3   3713.5690000              0.0000620        
  4   1423.7620000              0.0002260        
  5    606.6041000              0.0007840        
  6    278.2564000              0.0023700        
  7    134.8449000              0.0063880        
  8     68.1225400              0.0138590        
  9     35.4008800              0.0241140        
 10     18.7902900              0.0275710        
 11     10.0835600              0.0070970        
 12      5.3461200             -0.0519240        
 13      2.7752280             -0.0926040        
 14      1.4075640             -0.1055640        
 15      0.6872130              0.0063780        
 16      0.2473970              0.3117760        
 17      0.0961870              0.5407510        
P   17
  1  48218.4100000              0.0000090        
  2  11420.5500000              0.0000300        
  3   3713.5690000              0.0001240        
  4   1423.7620000              0.0004430        
  5    606.6041000              0.0015740        
  6    278.2564000              0.0046340        
  7    134.8449000              0.0128440        
  8     68.1225400              0.0269700        
  9     35.4008800              0.0491200        
 10     18.7902900              0.0529930        
 11     10.0835600              0.0206170        
 12      5.3461200             -0.1226650        
 13      2.7752280             -0.1911910        
 14      1.4075640             -0.2074430        
 15      0.6872130              0.1926460        
 16      0.2473970              0.6490010        
 17      0.0961870              0.3287320        
P   17
  1  48218.4100000              0.0000170        
  2  11420.5500000              0.0000580        
  3   3713.5690000              0.0002460        
  4   1423.7620000              0.0008420        
  5    606.6041000              0.0031310        
  6    278.2564000              0.0087870        
  7    134.8449000              0.0257090        
  8     68.1225400              0.0507520        
  9     35.4008800              0.1002550        
 10     18.7902900              0.1005250        
 11     10.0835600              0.0733500        
 12      5.3461200             -0.3887260        
 13      2.7752280             -0.4495470        
 14      1.4075640             -0.0766170        
 15      0.6872130              1.1820700        
 16      0.2473970             -0.0996590        
 17      0.0961870             -0.7171210        
P   17
  1  48218.4100000              0.0000210        
  2  11420.5500000              0.0000800        
  3   3713.5690000              0.0002990        
  4   1423.7620000              0.0011990        
  5    606.6041000              0.0037440        
  6    278.2564000              0.0127080        
  7    134.8449000              0.0303320        
  8     68.1225400              0.0759830        
  9     35.4008800              0.1085020        
 10     18.7902900              0.2051540        
 11     10.0835600              0.0570150        
 12      5.3461200             -0.9117820        
 13      2.7752280             -0.5409620        
 14      1.4075640              1.9497620        
 15      0.6872130             -0.5880390        
 16      0.2473970             -1.1302240        
 17      0.0961870              1.0441460        
P   1
  1      0.0369480              1.0000000        
D   10
  1    556.3170000              0.0002610        
  2    163.6920000              0.0023440        
  3     62.7973000              0.0124860        
  4     27.2478000              0.0442820        
  5     12.6298000              0.1159340        
  6      6.1034100              0.2174500        
  7      2.9654480              0.2914210        
  8      1.4126530              0.2983570        
  9      0.6498450              0.2379860        
 10      0.2837010              0.1332530        
D   10
  1    556.3170000             -0.0003240        
  2    163.6920000             -0.0029180        
  3     62.7973000             -0.0155940        
  4     27.2478000             -0.0559610        
  5     12.6298000             -0.1518160        
  6      6.1034100             -0.2797870        
  7      2.9654480             -0.2715330        
  8      1.4126530              0.0180900        
  9      0.6498450              0.3562040        
 10      0.2837010              0.4201600        
D   10
  1    556.3170000              0.0003890        
  2    163.6920000              0.0035340        
  3     62.7973000              0.0189360        
  4     27.2478000              0.0689280        
  5     12.6298000              0.1972720        
  6      6.1034100              0.3487360        
  7      2.9654480              0.0597030        
  8      1.4126530             -0.5596990        
  9      0.6498450             -0.3880260        
 10      0.2837010              0.4383270        
D   10
  1    556.3170000             -0.0006030        
  2    163.6920000             -0.0050540        
  3     62.7973000             -0.0293200        
  4     27.2478000             -0.1016320        
  5     12.6298000             -0.3526730        
  6      6.1034100             -0.4213890        
  7      2.9654480              0.7343300        
  8      1.4126530              0.5564940        
  9      0.6498450             -0.9765450        
 10      0.2837010             -0.0899130        
D   1
  1      0.1133290              1.0000000        
F   1
  1      7.6837000              1.0000000        
F   1
  1      2.3657000              1.0000000        
F   1
  1      0.7284000              1.0000000        
G   1
  1      5.9423000              1.0000000        
G   1
  1      1.7494000              1.0000000        
H   1
  1      3.7293000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Zn
data:
ZINC
S   21
  1      0.1785293E+08          0.0000790        
  2 2673038.0000000             0.0002200        
  3 608324.4000000              0.0005730        
  4 172317.6000000              0.0013640        
  5  56222.6900000              0.0031790        
  6  20299.8500000              0.0073820        
  7   7918.8710000              0.0173430        
  8   3285.3400000              0.0406290        
  9   1433.5240000              0.0911280        
 10    652.2889000              0.1824150        
 11    307.4360000              0.2944610        
 12    149.1466000              0.3208580        
 13     73.4510800              0.1763940        
 14     33.9256200              0.0269500        
 15     17.1894700             -0.0014620        
 16      8.6665950              0.0009880        
 17      3.9725050             -0.0004540        
 18      1.8946650              0.0001670        
 19      0.8593850             -0.0000670        
 20      0.1952560              0.0000210        
 21      0.0858540             -0.0000150        
S   21
  1      0.1785293E+08         -0.0000250        
  2 2673038.0000000            -0.0000690        
  3 608324.4000000             -0.0001810        
  4 172317.6000000             -0.0004320        
  5  56222.6900000             -0.0010080        
  6  20299.8500000             -0.0023580        
  7   7918.8710000             -0.0055880        
  8   3285.3400000             -0.0133770        
  9   1433.5240000             -0.0311060        
 10    652.2889000             -0.0675820        
 11    307.4360000             -0.1266200        
 12    149.1466000             -0.1842860        
 13     73.4510800             -0.1210030        
 14     33.9256200              0.2220190        
 15     17.1894700              0.5609470        
 16      8.6665950              0.3524860        
 17      3.9725050              0.0454330        
 18      1.8946650              0.0000520        
 19      0.8593850              0.0010090        
 20      0.1952560             -0.0001180        
 21      0.0858540              0.0000890        
S   21
  1      0.1785293E+08          0.0000090        
  2 2673038.0000000             0.0000260        
  3 608324.4000000              0.0000690        
  4 172317.6000000              0.0001640        
  5  56222.6900000              0.0003820        
  6  20299.8500000              0.0008950        
  7   7918.8710000              0.0021220        
  8   3285.3400000              0.0051030        
  9   1433.5240000              0.0118880        
 10    652.2889000              0.0261860        
 11    307.4360000              0.0498050        
 12    149.1466000              0.0759660        
 13     73.4510800              0.0517660        
 14     33.9256200             -0.1129780        
 15     17.1894700             -0.4012980        
 16      8.6665950             -0.3347370        
 17      3.9725050              0.3331000        
 18      1.8946650              0.6889720        
 19      0.8593850              0.2848640        
 20      0.1952560              0.0082440        
 21      0.0858540             -0.0030930        
S   21
  1      0.1785293E+08         -0.0000020        
  2 2673038.0000000            -0.0000050        
  3 608324.4000000             -0.0000140        
  4 172317.6000000             -0.0000330        
  5  56222.6900000             -0.0000770        
  6  20299.8500000             -0.0001820        
  7   7918.8710000             -0.0004290        
  8   3285.3400000             -0.0010360        
  9   1433.5240000             -0.0024050        
 10    652.2889000             -0.0053370        
 11    307.4360000             -0.0100900        
 12    149.1466000             -0.0156710        
 13     73.4510800             -0.0104000        
 14     33.9256200              0.0231260        
 15     17.1894700              0.0899450        
 16      8.6665950              0.0735120        
 17      3.9725050             -0.0850030        
 18      1.8946650             -0.2289690        
 19      0.8593850             -0.1810930        
 20      0.1952560              0.3479990        
 21      0.0858540              0.5700400        
S   21
  1      0.1785293E+08         -0.0000050        
  2 2673038.0000000            -0.0000150        
  3 608324.4000000             -0.0000390        
  4 172317.6000000             -0.0000930        
  5  56222.6900000             -0.0002130        
  6  20299.8500000             -0.0005170        
  7   7918.8710000             -0.0011580        
  8   3285.3400000             -0.0030170        
  9   1433.5240000             -0.0063280        
 10    652.2889000             -0.0159920        
 11    307.4360000             -0.0253830        
 12    149.1466000             -0.0508780        
 13     73.4510800             -0.0147930        
 14     33.9256200              0.0305570        
 15     17.1894700              0.3475700        
 16      8.6665950              0.1094030        
 17      3.9725050             -0.2208400        
 18      1.8946650             -1.3044110        
 19      0.8593850              1.0663570        
 20      0.1952560              1.4271740        
 21      0.0858540             -1.2613610        
S   21
  1      0.1785293E+08          0.0000070        
  2 2673038.0000000             0.0000210        
  3 608324.4000000              0.0000540        
  4 172317.6000000              0.0001270        
  5  56222.6900000              0.0002990        
  6  20299.8500000              0.0006950        
  7   7918.8710000              0.0016700        
  8   3285.3400000              0.0039400        
  9   1433.5240000              0.0094460        
 10    652.2889000              0.0201520        
 11    307.4360000              0.0404710        
 12    149.1466000              0.0582110        
 13     73.4510800              0.0480920        
 14     33.9256200             -0.1061780        
 15     17.1894700             -0.3822290        
 16      8.6665950             -0.5135870        
 17      3.9725050              1.5357960        
 18      1.8946650              0.6749030        
 19      0.8593850             -2.5422360        
 20      0.1952560              2.3368240        
 21      0.0858540             -0.9072220        
S   21
  1      0.1785293E+08         -0.0000100        
  2 2673038.0000000            -0.0000280        
  3 608324.4000000             -0.0000730        
  4 172317.6000000             -0.0001710        
  5  56222.6900000             -0.0004140        
  6  20299.8500000             -0.0009140        
  7   7918.8710000             -0.0023740        
  8   3285.3400000             -0.0050120        
  9   1433.5240000             -0.0139070        
 10    652.2889000             -0.0245170        
 11    307.4360000             -0.0633700        
 12    149.1466000             -0.0618520        
 13     73.4510800             -0.1068480        
 14     33.9256200              0.2254310        
 15     17.1894700              0.5674800        
 16      8.6665950              1.0107520        
 17      3.9725050             -5.5611700        
 18      1.8946650              6.9915000        
 19      0.8593850             -3.5424600        
 20      0.1952560              0.0395280        
 21      0.0858540              1.6266830        
S   1
  1      0.0367810              1.0000000        
P   17
  1  52867.9300000              0.0000630        
  2  12511.7900000              0.0002210        
  3   4065.2860000              0.0008710        
  4   1557.5950000              0.0031550        
  5    663.2892000              0.0107140        
  6    304.1561000              0.0322280        
  7    147.3680000              0.0837700        
  8     74.4546900              0.1778440        
  9     38.7149300              0.2905790        
 10     20.5702200              0.3275000        
 11     11.0542500              0.2059230        
 12      5.8746610              0.0549140        
 13      3.0529360              0.0049090        
 14      1.5472250              0.0009730        
 15      0.7541510              0.0001840        
 16      0.2655530              0.0000500        
 17      0.1019080             -0.0000120        
P   17
  1  52867.9300000             -0.0000240        
  2  12511.7900000             -0.0000830        
  3   4065.2860000             -0.0003270        
  4   1557.5950000             -0.0011910        
  5    663.2892000             -0.0040650        
  6    304.1561000             -0.0124020        
  7    147.3680000             -0.0329760        
  8     74.4546900             -0.0726830        
  9     38.7149300             -0.1239840        
 10     20.5702200             -0.1462900        
 11     11.0542500             -0.0402280        
 12      5.8746610              0.2098190        
 13      3.0529360              0.4113650        
 14      1.5472250              0.3688220        
 15      0.7541510              0.1542010        
 16      0.2655530              0.0141420        
 17      0.1019080             -0.0015040        
P   17
  1  52867.9300000              0.0000040        
  2  12511.7900000              0.0000150        
  3   4065.2860000              0.0000610        
  4   1557.5950000              0.0002180        
  5    663.2892000              0.0007550        
  6    304.1561000              0.0022760        
  7    147.3680000              0.0061530        
  8     74.4546900              0.0133900        
  9     38.7149300              0.0234670        
 10     20.5702200              0.0268920        
 11     11.0542500              0.0074420        
 12      5.8746610             -0.0497760        
 13      3.0529360             -0.0890630        
 14      1.5472250             -0.1028810        
 15      0.7541510              0.0042210        
 16      0.2655530              0.3049800        
 17      0.1019080              0.5410500        
P   17
  1  52867.9300000              0.0000080        
  2  12511.7900000              0.0000270        
  3   4065.2860000              0.0001090        
  4   1557.5950000              0.0003850        
  5    663.2892000              0.0013540        
  6    304.1561000              0.0040080        
  7    147.3680000              0.0110550        
  8     74.4546900              0.0234910        
  9     38.7149300              0.0425770        
 10     20.5702200              0.0468610        
 11     11.0542500              0.0177220        
 12      5.8746610             -0.1003030        
 13      3.0529360             -0.1633930        
 14      1.5472250             -0.1893930        
 15      0.7541510              0.1172440        
 16      0.2655530              0.6469500        
 17      0.1019080              0.3799520        
P   17
  1  52867.9300000              0.0000170        
  2  12511.7900000              0.0000580        
  3   4065.2860000              0.0002460        
  4   1557.5950000              0.0008210        
  5    663.2892000              0.0030900        
  6    304.1561000              0.0085000        
  7    147.3680000              0.0254170        
  8     74.4546900              0.0492100        
  9     38.7149300              0.1006690        
 10     20.5702200              0.0965090        
 11     11.0542500              0.0819270        
 12      5.8746610             -0.3834010        
 13      3.0529360             -0.4182030        
 14      1.5472250             -0.1677070        
 15      0.7541510              1.1948090        
 16      0.2655530             -0.0019210        
 17      0.1019080             -0.7337660        
P   17
  1  52867.9300000             -0.0000220        
  2  12511.7900000             -0.0000800        
  3   4065.2860000             -0.0002860        
  4   1557.5950000             -0.0011850        
  5    663.2892000             -0.0034930        
  6    304.1561000             -0.0125320        
  7    147.3680000             -0.0281370        
  8     74.4546900             -0.0760000        
  9     38.7149300             -0.0985060        
 10     20.5702200             -0.2143670        
 11     11.0542500             -0.0265110        
 12      5.8746610              0.7728880        
 13      3.0529360              0.6874980        
 14      1.5472250             -1.8748440        
 15      0.7541510              0.3864500        
 16      0.2655530              1.2436150        
 17      0.1019080             -1.0725970        
P   1
  1      0.0386230              1.0000000        
D   10
  1    690.0847000              0.0002080        
  2    202.3066000              0.0018800        
  3     77.4459400              0.0103150        
  4     33.6837800              0.0379340        
  5     15.6699800              0.1028900        
  6      7.6224700              0.2026810        
  7      3.7499780              0.2845300        
  8      1.8181510              0.3024300        
  9      0.8555970              0.2489250        
 10      0.3838420              0.1422960        
D   10
  1    690.0847000             -0.0002900        
  2    202.3066000             -0.0026300        
  3     77.4459400             -0.0145340        
  4     33.6837800             -0.0539330        
  5     15.6699800             -0.1524270        
  6      7.6224700             -0.3000970        
  7      3.7499780             -0.3103010        
  8      1.8181510              0.0218570        
  9      0.8555970              0.3961220        
 10      0.3838420              0.3968090        
D   10
  1    690.0847000             -0.0003220        
  2    202.3066000             -0.0029800        
  3     77.4459400             -0.0163530        
  4     33.6837800             -0.0616730        
  5     15.6699800             -0.1858900        
  6      7.6224700             -0.3750080        
  7      3.7499780             -0.0401820        
  8      1.8181510              0.6109590        
  9      0.8555970              0.3386520        
 10      0.3838420             -0.4891340        
D   10
  1    690.0847000              0.0004570        
  2    202.3066000              0.0037910        
  3     77.4459400              0.0230360        
  4     33.6837800              0.0812020        
  5     15.6699800              0.2937930        
  6      7.6224700              0.4477370        
  7      3.7499780             -0.6033540        
  8      1.8181510             -0.6904040        
  9      0.8555970              0.9760680        
 10      0.3838420              0.2286070        
D   1
  1      0.1579520              1.0000000        
F   1
  1      8.6408000              1.0000000        
F   1
  1      2.6947000              1.0000000        
F   1
  1      0.8403000              1.0000000        
G   1
  1      6.8215000              1.0000000        
G   1
  1      2.0378000              1.0000000        
H   1
  1      4.3396000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   18
  1 11274496.0000000            0.0001221        
  2 1688053.4000000             0.0003424        
  3 384140.8300000              0.0009020        
  4 108807.0300000              0.0021882        
  5  35497.6910000              0.0052363        
  6  12815.1040000              0.0125481        
  7   4998.1087000              0.0302576        
  8   2072.8848000              0.0711138        
  9    903.7458200              0.1527992        
 10    410.4430700              0.2724282        
 11    192.6063600              0.3423241        
 12     92.0496780              0.2281097        
 13     42.0478110              0.0454772        
 14     21.0692170             -0.0021551        
 15     10.4479150              0.0016736        
 16      4.7776580             -0.0007754        
 17      2.2825660              0.0003295        
 18      1.0353030             -0.0001316        
S   18
  1 11274496.0000000           -0.0000387        
  2 1688053.4000000            -0.0001086        
  3 384140.8300000             -0.0002865        
  4 108807.0300000             -0.0006966        
  5  35497.6910000             -0.0016755        
  6  12815.1040000             -0.0040452        
  7   4998.1087000             -0.0099194        
  8   2072.8848000             -0.0240086        
  9    903.7458200             -0.0550941        
 10    410.4430700             -0.1114520        
 11    192.6063600             -0.1807762        
 12     92.0496780             -0.1616077        
 13     42.0478110              0.1324047        
 14     21.0692170              0.5454004        
 15     10.4479150              0.4289256        
 16      4.7776580              0.0686669        
 17      2.2825660             -0.0004995        
 18      1.0353030              0.0014802        
S   18
  1 11274496.0000000            0.0000148        
  2 1688053.4000000             0.0000416        
  3 384140.8300000              0.0001097        
  4 108807.0300000              0.0002667        
  5  35497.6910000              0.0006423        
  6  12815.1040000              0.0015507        
  7   4998.1087000              0.0038164        
  8   2072.8848000              0.0092515        
  9    903.7458200              0.0214694        
 10    410.4430700              0.0439881        
 11    192.6063600              0.0743123        
 12     92.0496780              0.0693819        
 13     42.0478110             -0.0656190        
 14     21.0692170             -0.3670556        
 15     10.4479150             -0.4085287        
 16      4.7776580              0.2312384        
 17      2.2825660              0.7140331        
 18      1.0353030              0.3465773        
S   18
  1 11274496.0000000           -0.0000035        
  2 1688053.4000000            -0.0000097        
  3 384140.8300000             -0.0000257        
  4 108807.0300000             -0.0000625        
  5  35497.6910000             -0.0001507        
  6  12815.1040000             -0.0003634        
  7   4998.1087000             -0.0008967        
  8   2072.8848000             -0.0021675        
  9    903.7458200             -0.0050593        
 10    410.4430700             -0.0103217        
 11    192.6063600             -0.0176880        
 12     92.0496780             -0.0163015        
 13     42.0478110              0.0153154        
 14     21.0692170              0.0945371        
 15     10.4479150              0.1056313        
 16      4.7776580             -0.0684160        
 17      2.2825660             -0.2684861        
 18      1.0353030             -0.2431889        
S   1
  1      0.2576740              1.0000000        
S   1
  1      0.1191790              1.0000000        
S   1
  1      0.0512940              1.0000000        
P   13
  1  22059.7710000              0.0001895        
  2   5222.3129000              0.0008161        
  3   1696.0601000              0.0036080        
  4    648.7657300              0.0138076        
  5    275.1026700              0.0455148        
  6    125.3463400              0.1222649        
  7     60.0543340              0.2511555        
  8     29.7237680              0.3591516        
  9     15.0397810              0.2909065        
 10      7.5722730              0.0961232        
 11      3.7386760              0.0085053        
 12      1.7967880              0.0013554        
 13      0.8299100              0.0000797        
P   13
  1  22059.7710000             -0.0000721        
  2   5222.3129000             -0.0003114        
  3   1696.0601000             -0.0013804        
  4    648.7657300             -0.0053301        
  5    275.1026700             -0.0178363        
  6    125.3463400             -0.0495036        
  7     60.0543340             -0.1059787        
  8     29.7237680             -0.1610286        
  9     15.0397810             -0.1102836        
 10      7.5722730              0.1516034        
 11      3.7386760              0.4294623        
 12      1.7967880              0.4201505        
 13      0.8299100              0.1558343        
P   13
  1  22059.7710000              0.0000118        
  2   5222.3129000              0.0000506        
  3   1696.0601000              0.0002263        
  4    648.7657300              0.0008662        
  5    275.1026700              0.0029349        
  6    125.3463400              0.0080718        
  7     60.0543340              0.0176257        
  8     29.7237680              0.0263521        
  9     15.0397810              0.0186524        
 10      7.5722730             -0.0324099        
 11      3.7386760             -0.0803246        
 12      1.7967880             -0.0996614        
 13      0.8299100             -0.0070314        
P   1
  1      0.2728740              1.0000000        
P   1
  1      0.1015400              1.0000000        
P   1
  1      0.0376580              1.0000000        
D   9
  1    766.4369600              0.0002043        
  2    231.0042500              0.0017452        
  3     89.7812380              0.0094505        
  4     39.5466810              0.0349208        
  5     18.6075830              0.0959410        
  6      9.1512870              0.1945035        
  7      4.5650050              0.2822292        
  8      2.2530660              0.3078219        
  9      1.0867230              0.2526903        
D   1
  1      0.5033040              1.0000000        
D   1
  1      0.2122830              1.0000000        
D   1
  1      0.0828000              1.0000000        
F   1
  1      0.1810000              1.0000000        
F   1
  1      0.4710000              1.0000000        
G   1
  1      0.4032000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   18
  1 12360507.0000000            0.0001254        
  2 1850697.8000000             0.0003501        
  3 421131.4200000              0.0009182        
  4 119278.2600000              0.0022132        
  5  38912.2770000              0.0052537        
  6  14048.6820000              0.0124666        
  7   5480.6992000              0.0297706        
  8   2274.2055000              0.0694856        
  9    992.2412900              0.1490768        
 10    450.9996600              0.2672390        
 11    211.8202400              0.3413982        
 12    101.4110200              0.2353125        
 13     46.9140900              0.0505022        
 14     23.5089500             -0.0017194        
 15     11.6813110              0.0016793        
 16      5.4345260             -0.0007899        
 17      2.6088080              0.0003389        
 18      1.1984420             -0.0001429        
S   18
  1 12360507.0000000           -0.0000399        
  2 1850697.8000000            -0.0001115        
  3 421131.4200000             -0.0002930        
  4 119278.2600000             -0.0007081        
  5  38912.2770000             -0.0016893        
  6  14048.6820000             -0.0040398        
  7   5480.6992000             -0.0098058        
  8   2274.2055000             -0.0235684        
  9    992.2412900             -0.0538821        
 10    450.9996600             -0.1093039        
 11    211.8202400             -0.1787172        
 12    101.4110200             -0.1667879        
 13     46.9140900              0.1102405        
 14     23.5089500              0.5327701        
 15     11.6813110              0.4491280        
 16      5.4345260              0.0802648        
 17      2.6088080             -0.0000026        
 18      1.1984420              0.0015904        
S   18
  1 12360507.0000000            0.0000154        
  2 1850697.8000000             0.0000431        
  3 421131.4200000              0.0001134        
  4 119278.2600000              0.0002740        
  5  38912.2770000              0.0006544        
  6  14048.6820000              0.0015651        
  7   5480.6992000              0.0038114        
  8   2274.2055000              0.0091796        
  9    992.2412900              0.0212059        
 10    450.9996600              0.0435954        
 11    211.8202400              0.0740931        
 12    101.4110200              0.0723978        
 13     46.9140900             -0.0552386        
 14     23.5089500             -0.3558186        
 15     11.6813110             -0.4294906        
 16      5.4345260              0.1839053        
 17      2.6088080              0.7193170        
 18      1.1984420              0.3790653        
S   18
  1 12360507.0000000           -0.0000040        
  2 1850697.8000000            -0.0000111        
  3 421131.4200000             -0.0000292        
  4 119278.2600000             -0.0000707        
  5  38912.2770000             -0.0001689        
  6  14048.6820000             -0.0004035        
  7   5480.6992000             -0.0009851        
  8   2274.2055000             -0.0023657        
  9    992.2412900             -0.0054973        
 10    450.9996600             -0.0112530        
 11    211.8202400             -0.0194033        
 12    101.4110200             -0.0187269        
 13     46.9140900              0.0140815        
 14     23.5089500              0.1009262        
 15     11.6813110              0.1227674        
 16      5.4345260             -0.0594256        
 17      2.6088080             -0.2989059        
 18      1.1984420             -0.2869919        
S   1
  1      0.3298080              1.0000000        
S   1
  1      0.1554330              1.0000000        
S   1
  1      0.0669130              1.0000000        
P   13
  1  24017.4660000              0.0001945        
  2   5685.7175000              0.0008185        
  3   1846.4859000              0.0035724        
  4    706.2498100              0.0135752        
  5    299.4561000              0.0447080        
  6    136.4390400              0.1204056        
  7     65.3901550              0.2486703        
  8     32.3937350              0.3581298        
  9     16.4156160              0.2933743        
 10      8.2877870              0.0991565        
 11      4.1126340              0.0091030        
 12      1.9988540              0.0013896        
 13      0.9442910              0.0000404        
P   13
  1  24017.4660000             -0.0000752        
  2   5685.7175000             -0.0003171        
  3   1846.4859000             -0.0013878        
  4    706.2498100             -0.0053212        
  5    299.4561000             -0.0177878        
  6    136.4390400             -0.0494958        
  7     65.3901550             -0.1065591        
  8     32.3937350             -0.1630877        
  9     16.4156160             -0.1137000        
 10      8.2877870              0.1482356        
 11      4.1126340              0.4298190        
 12      1.9988540              0.4213163        
 13      0.9442910              0.1539937        
P   13
  1  24017.4660000              0.0000148        
  2   5685.7175000              0.0000623        
  3   1846.4859000              0.0002745        
  4    706.2498100              0.0010453        
  5    299.4561000              0.0035310        
  6    136.4390400              0.0097625        
  7     65.3901550              0.0213795        
  8     32.3937350              0.0323668        
  9     16.4156160              0.0230092        
 10      8.2877870             -0.0385579        
 11      4.1126340             -0.0991983        
 12      1.9988540             -0.1227246        
 13      0.9442910             -0.0067912        
P   1
  1      0.3412110              1.0000000        
P   1
  1      0.1343500              1.0000000        
P   1
  1      0.0517350              1.0000000        
D   9
  1    864.6741100              0.0001963        
  2    261.0376300              0.0016603        
  3    101.7703000              0.0089824        
  4     45.1166410              0.0332761        
  5     21.4306860              0.0916437        
  6     10.6598610              0.1882303        
  7      5.3922870              0.2792207        
  8      2.7044970              0.3112443        
  9      1.3285440              0.2561363        
D   1
  1      0.6264520              1.0000000        
D   1
  1      0.2660130              1.0000000        
D   1
  1      0.1063000              1.0000000        
F   1
  1      0.5492000              1.0000000        
F   1
  1      0.2190000              1.0000000        
G   1
  1      0.4681000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: As
data:
ARSENIC
S   18
  1 13600341.0000000            0.0001281        
  2 2036507.3000000             0.0003562        
  3 463432.7800000              0.0009301        
  4 131259.9400000              0.0022276        
  5  42819.1920000              0.0052458        
  6  15457.0190000              0.0123309        
  7   6028.4583000              0.0291843        
  8   2500.5599000              0.0677198        
  9   1090.6149000              0.1452401        
 10    495.6215400              0.2619983        
 11    232.8166900              0.3403199        
 12    111.6311800              0.2425280        
 13     52.2699500              0.0560425        
 14     26.1498780             -0.0011099        
 15     13.0187570              0.0016505        
 16      6.1554320             -0.0007865        
 17      2.9591270              0.0003373        
 18      1.3738740             -0.0001501        
S   18
  1 13600341.0000000           -0.0000410        
  2 2036507.3000000            -0.0001140        
  3 463432.7800000             -0.0002982        
  4 131259.9400000             -0.0007162        
  5  42819.1920000             -0.0016948        
  6  15457.0190000             -0.0040157        
  7   6028.4583000             -0.0096556        
  8   2500.5599000             -0.0230687        
  9   1090.6149000             -0.0526016        
 10    495.6215400             -0.1070835        
 11    232.8166900             -0.1765278        
 12    111.6311800             -0.1715660        
 13     52.2699500              0.0889297        
 14     26.1498780              0.5189430        
 15     13.0187570              0.4676663        
 16      6.1554320              0.0928651        
 17      2.9591270              0.0007983        
 18      1.3738740              0.0016437        
S   18
  1 13600341.0000000            0.0000160        
  2 2036507.3000000             0.0000446        
  3 463432.7800000              0.0001166        
  4 131259.9400000              0.0002800        
  5  42819.1920000              0.0006633        
  6  15457.0190000              0.0015724        
  7   6028.4583000              0.0037917        
  8   2500.5599000              0.0090817        
  9   1090.6149000              0.0209082        
 10    495.6215400              0.0431594        
 11    232.8166900              0.0738090        
 12    111.6311800              0.0752721        
 13     52.2699500             -0.0451843        
 14     26.1498780             -0.3442939        
 15     13.0187570             -0.4482416        
 16      6.1554320              0.1391954        
 17      2.9591270              0.7228593        
 18      1.3738740              0.4085359        
S   18
  1 13600341.0000000           -0.0000044        
  2 2036507.3000000            -0.0000123        
  3 463432.7800000             -0.0000323        
  4 131259.9400000             -0.0000775        
  5  42819.1920000             -0.0001837        
  6  15457.0190000             -0.0004348        
  7   6028.4583000             -0.0010514        
  8   2500.5599000             -0.0025109        
  9   1090.6149000             -0.0058149        
 10    495.6215400             -0.0119527        
 11    232.8166900             -0.0207383        
 12    111.6311800             -0.0209056        
 13     52.2699500              0.0122366        
 14     26.1498780              0.1048581        
 15     13.0187570              0.1380268        
 16      6.1554320             -0.0476628        
 17      2.9591270             -0.3236730        
 18      1.3738740             -0.3260622        
S   1
  1      0.4088500              1.0000000        
S   1
  1      0.1945110              1.0000000        
S   1
  1      0.0836410              1.0000000        
P   13
  1  25570.4180000              0.0002043        
  2   6052.9237000              0.0008448        
  3   1965.7002000              0.0036482        
  4    751.7722900              0.0137712        
  5    318.6814000              0.0452467        
  6    145.1474900              0.1216992        
  7     69.5411620              0.2509195        
  8     34.4513760              0.3593791        
  9     17.4606100              0.2908093        
 10      8.8086090              0.0964509        
 11      4.3786460              0.0084783        
 12      2.1444050              0.0013971        
 13      1.0293500             -0.0000365        
P   13
  1  25570.4180000             -0.0000801        
  2   6052.9237000             -0.0003324        
  3   1965.7002000             -0.0014389        
  4    751.7722900             -0.0054824        
  5    318.6814000             -0.0182841        
  6    145.1474900             -0.0508440        
  7     69.5411620             -0.1093204        
  8     34.4513760             -0.1665310        
  9     17.4606100             -0.1119705        
 10      8.8086090              0.1582078        
 11      4.3786460              0.4394225        
 12      2.1444050              0.4147421        
 13      1.0293500              0.1396396        
P   13
  1  25570.4180000              0.0000178        
  2   6052.9237000              0.0000738        
  3   1965.7002000              0.0003210        
  4    751.7722900              0.0012174        
  5    318.6814000              0.0040936        
  6    145.1474900              0.0113436        
  7     69.5411620              0.0247398        
  8     34.4513760              0.0374810        
  9     17.4606100              0.0252354        
 10      8.8086090             -0.0462849        
 11      4.3786460             -0.1172897        
 12      2.1444050             -0.1395291        
 13      1.0293500              0.0036001        
P   1
  1      0.4046360              1.0000000        
P   1
  1      0.1656220              1.0000000        
P   1
  1      0.0656100              1.0000000        
D   9
  1    996.9796000              0.0001786        
  2    300.9851800              0.0015025        
  3    117.2347300              0.0082298        
  4     51.9569040              0.0311597        
  5     24.6894400              0.0876325        
  6     12.2951710              0.1843352        
  7      6.2446520              0.2794446        
  8      3.1554600              0.3157554        
  9      1.5680490              0.2578297        
D   1
  1      0.7486470              1.0000000        
D   1
  1      0.3191250              1.0000000        
D   1
  1      0.1300000              1.0000000        
F   1
  1      0.2640000              1.0000000        
F   1
  1      0.6440000              1.0000000        
G   1
  1      0.5465000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Se
data:
SELENIUM
S   18
  1 15011000.0000000            0.0001303        
  2 2247500.0000000             0.0003610        
  3 511450.0000000              0.0009384        
  4 144870.0000000              0.0022332        
  5  47261.0000000              0.0052164        
  6  17062.0000000              0.0121422        
  7   6654.5000000              0.0284669        
  8   2759.8000000              0.0656505        
  9   1203.2000000              0.1408188        
 10    546.5300000              0.2559985        
 11    256.6300000              0.3390371        
 12    123.1400000              0.2506722        
 13     58.2630000              0.0625857        
 14     29.0230000             -0.0003178        
 15     14.4650000              0.0015954        
 16      6.9348000             -0.0007685        
 17      3.3299000              0.0003278        
 18      1.5600000             -0.0001531        
S   18
  1 15011000.0000000           -0.0000419        
  2 2247500.0000000            -0.0001161        
  3 511450.0000000             -0.0003023        
  4 144870.0000000             -0.0007214        
  5  47261.0000000             -0.0016930        
  6  17062.0000000             -0.0039731        
  7   6654.5000000             -0.0094577        
  8   2759.8000000             -0.0224521        
  9   1203.2000000             -0.0510721        
 10    546.5300000             -0.1044447        
 11    256.6300000             -0.1739596        
 12    123.1400000             -0.1764504        
 13     58.2630000              0.0676008        
 14     29.0230000              0.5042927        
 15     14.4650000              0.4849518        
 16      6.9348000              0.1062494        
 17      3.3299000              0.0018677        
 18      1.5600000              0.0016392        
S   18
  1 15011000.0000000            0.0000165        
  2 2247500.0000000             0.0000459        
  3 511450.0000000              0.0001194        
  4 144870.0000000              0.0002850        
  5  47261.0000000              0.0006694        
  6  17062.0000000              0.0015720        
  7   6654.5000000              0.0037516        
  8   2759.8000000              0.0089320        
  9   1203.2000000              0.0204985        
 10    546.5300000              0.0425223        
 11    256.6300000              0.0733281        
 12    123.1400000              0.0781782        
 13     58.2630000             -0.0349730        
 14     29.0230000             -0.3325539        
 15     14.4650000             -0.4650068        
 16      6.9348000              0.0975826        
 17      3.3299000              0.7248941        
 18      1.5600000              0.4346646        
S   18
  1 15011000.0000000           -0.0000049        
  2 2247500.0000000            -0.0000135        
  3 511450.0000000             -0.0000350        
  4 144870.0000000             -0.0000836        
  5  47261.0000000             -0.0001966        
  6  17062.0000000             -0.0004610        
  7   6654.5000000             -0.0011032        
  8   2759.8000000             -0.0026187        
  9   1203.2000000             -0.0060460        
 10    546.5300000             -0.0124885        
 11    256.6300000             -0.0218509        
 12    123.1400000             -0.0230412        
 13     58.2630000              0.0098807        
 14     29.0230000              0.1074920        
 15     14.4650000              0.1523472        
 16      6.9348000             -0.0345796        
 17      3.3299000             -0.3461549        
 18      1.5600000             -0.3630380        
S   1
  1      0.4929100              1.0000000        
S   1
  1      0.2352500              1.0000000        
S   1
  1      0.1003700              1.0000000        
P   13
  1  25217.0000000              0.0002334        
  2   5969.9000000              0.0009661        
  3   1938.9000000              0.0041635        
  4    741.6600000              0.0156292        
  5    314.5000000              0.0508446        
  6    143.3100000              0.1342348        
  7     68.6500000              0.2687028        
  8     33.9950000              0.3654719        
  9     17.1850000              0.2695391        
 10      8.5740000              0.0766748        
 11      4.2206000              0.0049392        
 12      2.0521000              0.0012847        
 13      0.9615600             -0.0001905        
P   13
  1  25217.0000000             -0.0000929        
  2   5969.9000000             -0.0003857        
  3   1938.9000000             -0.0016666        
  4    741.6600000             -0.0063216        
  5    314.5000000             -0.0208964        
  6    143.3100000             -0.0571845        
  7     68.6500000             -0.1195375        
  8     33.9950000             -0.1730980        
  9     17.1850000             -0.0894815        
 10      8.5740000              0.2131136        
 11      4.2206000              0.4744642        
 12      2.0521000              0.3768487        
 13      0.9615600              0.0889947        
P   13
  1  25217.0000000              0.0000224        
  2   5969.9000000              0.0000931        
  3   1938.9000000              0.0004028        
  4    741.6600000              0.0015268        
  5    314.5000000              0.0050679        
  6    143.3100000              0.0138956        
  7     68.6500000              0.0293016        
  8     33.9950000              0.0426207        
  9     17.1850000              0.0205713        
 10      8.5740000             -0.0655065        
 11      4.2206000             -0.1440456        
 12      2.0521000             -0.1416899        
 13      0.9615600              0.0680594        
P   1
  1      0.4215100              1.0000000        
P   1
  1      0.1762600              1.0000000        
P   1
  1      0.0706630              1.0000000        
D   9
  1   1143.4000000              0.0001630        
  2    345.3300000              0.0013598        
  3    134.4600000              0.0075189        
  4     59.5670000              0.0290814        
  5     28.2830000              0.0837798        
  6     14.0610000              0.1811677        
  7      7.1390000              0.2812152        
  8      3.6148000              0.3214168        
  9      1.8072000              0.2588963        
D   1
  1      0.8694400              1.0000000        
D   1
  1      0.3703600              1.0000000        
D   1
  1      0.1530000              1.0000000        
F   1
  1      0.2840000              1.0000000        
F   1
  1      0.7097000              1.0000000        
G   1
  1      0.5730000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Br
data:
BROMINE
S   18
  1 16475000.0000000            0.0001329        
  2 2466600.0000000             0.0003668        
  3 561310.0000000              0.0009494        
  4 158990.0000000              0.0022461        
  5  51869.0000000              0.0052073        
  6  18726.0000000              0.0120104        
  7   7303.6000000              0.0279010        
  8   3029.1000000              0.0638973        
  9   1320.8000000              0.1368623        
 10    600.0300000              0.2502349        
 11    281.9000000              0.3368755        
 12    135.5400000              0.2577522        
 13     64.8700000              0.0695754        
 14     32.1290000              0.0007984        
 15     16.0370000              0.0014489        
 16      7.7849000             -0.0007014        
 17      3.7247000              0.0002926        
 18      1.7583000             -0.0001453        
S   18
  1 16475000.0000000           -0.0000429        
  2 2466600.0000000            -0.0001185        
  3 561310.0000000             -0.0003072        
  4 158990.0000000             -0.0007289        
  5  51869.0000000             -0.0016976        
  6  18726.0000000             -0.0039484        
  7   7303.6000000             -0.0093084        
  8   3029.1000000             -0.0219410        
  9   1320.8000000             -0.0497226        
 10    600.0300000             -0.1019813        
 11    281.9000000             -0.1711437        
 12    135.5400000             -0.1802775        
 13     64.8700000              0.0473692        
 14     32.1290000              0.4879628        
 15     16.0370000              0.5006495        
 16      7.7849000              0.1208402        
 17      3.7247000              0.0032118        
 18      1.7583000              0.0015939        
S   18
  1 16475000.0000000            0.0000171        
  2 2466600.0000000             0.0000473        
  3 561310.0000000              0.0001226        
  4 158990.0000000              0.0002908        
  5  51869.0000000              0.0006779        
  6  18726.0000000              0.0015780        
  7   7303.6000000              0.0037286        
  8   3029.1000000              0.0088178        
  9   1320.8000000              0.0201457        
 10    600.0300000              0.0419299        
 11    281.9000000              0.0727123        
 12    135.5400000              0.0806250        
 13     64.8700000             -0.0252254        
 14     32.1290000             -0.3199661        
 15     16.0370000             -0.4794888        
 16      7.7849000              0.0572749        
 17      3.7247000              0.7253427        
 18      1.7583000              0.4588536        
S   18
  1 16475000.0000000           -0.0000053        
  2 2466600.0000000            -0.0000145        
  3 561310.0000000             -0.0000377        
  4 158990.0000000             -0.0000894        
  5  51869.0000000             -0.0002085        
  6  18726.0000000             -0.0004847        
  7   7303.6000000             -0.0011486        
  8   3029.1000000             -0.0027081        
  9   1320.8000000             -0.0062245        
 10    600.0300000             -0.0129000        
 11    281.9000000             -0.0226984        
 12    135.5400000             -0.0249048        
 13     64.8700000              0.0072616        
 14     32.1290000              0.1083844        
 15     16.0370000              0.1650089        
 16      7.7849000             -0.0201229        
 17      3.7247000             -0.3644571        
 18      1.7583000             -0.3967725        
S   1
  1      0.5833100              1.0000000        
S   1
  1      0.2785600              1.0000000        
S   1
  1      0.1182900              1.0000000        
P   13
  1  26607.0000000              0.0002461        
  2   6298.2000000              0.0010035        
  3   2045.2000000              0.0042844        
  4    782.1600000              0.0159811        
  5    331.6300000              0.0518132        
  6    151.1100000              0.1363384        
  7     72.3920000              0.2717214        
  8     35.8620000              0.3662189        
  9     18.1340000              0.2655160        
 10      9.0430000              0.0736289        
 11      4.4500000              0.0044829        
 12      2.1661000              0.0012090        
 13      0.9962800             -0.0002215        
P   13
  1  26607.0000000             -0.0000993        
  2   6298.2000000             -0.0004062        
  3   2045.2000000             -0.0017392        
  4    782.1600000             -0.0065556        
  5    331.6300000             -0.0216064        
  6    151.1100000             -0.0589530        
  7     72.3920000             -0.1228123        
  8     35.8620000             -0.1761001        
  9     18.1340000             -0.0853725        
 10      9.0430000              0.2264412        
 11      4.4500000              0.4859297        
 12      2.1661000              0.3651096        
 13      0.9962800              0.0748584        
P   13
  1  26607.0000000              0.0000257        
  2   6298.2000000              0.0001050        
  3   2045.2000000              0.0004497        
  4    782.1600000              0.0016974        
  5    331.6300000              0.0056053        
  6    151.1100000              0.0153694        
  7     72.3920000              0.0322002        
  8     35.8620000              0.0466542        
  9     18.1340000              0.0202782        
 10      9.0430000             -0.0742025        
 11      4.4500000             -0.1630600        
 12      2.1661000             -0.1454754        
 13      0.9962800              0.1117576        
P   1
  1      0.4544300              1.0000000        
P   1
  1      0.1940400              1.0000000        
P   1
  1      0.0789970              1.0000000        
D   9
  1   1289.6000000              0.0001527        
  2    389.7500000              0.0012619        
  3    151.7600000              0.0070154        
  4     67.2230000              0.0275756        
  5     31.9130000              0.0809015        
  6     15.8570000              0.1786691        
  7      8.0545000              0.2826135        
  8      4.0887000              0.3259893        
  9      2.0556000              0.2592316        
D   1
  1      0.9950900              1.0000000        
D   1
  1      0.4231300              1.0000000        
D   1
  1      0.1779000              1.0000000        
F   1
  1      0.3407000              1.0000000        
F   1
  1      0.8257000              1.0000000        
G   1
  1      0.6491000              1.0000000        


name: cc-pVQZ-DK
description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   18
  1 18226108.0000000            0.0001346        
  2 2728802.5000000             0.0003699        
  3 620997.7100000              0.0009532        
  4 175899.5800000              0.0022414        
  5  57387.4970000              0.0051564        
  6  20717.1810000              0.0117831        
  7   8078.8899000              0.0271181        
  8   3349.5170000              0.0617018        
  9   1459.7812000              0.1320938        
 10    662.8939100              0.2433513        
 11    311.3921500              0.3342231        
 12    149.9375100              0.2660010        
 13     72.4982490              0.0783391        
 14     35.5693540              0.0022830        
 15     17.7666330              0.0012440        
 16      8.7123830             -0.0006064        
 17      4.1449710              0.0002445        
 18      1.9696490             -0.0001311        
S   18
  1 18226108.0000000           -0.0000436        
  2 2728802.5000000            -0.0001200        
  3 620997.7100000             -0.0003098        
  4 175899.5800000             -0.0007306        
  5  57387.4970000             -0.0016882        
  6  20717.1810000             -0.0038910        
  7   8078.8899000             -0.0090818        
  8   3349.5170000             -0.0212637        
  9   1459.7812000             -0.0480311        
 10    662.8939100             -0.0989321        
 11    311.3921500             -0.1676847        
 12    149.9375100             -0.1842099        
 13     72.4982490              0.0259546        
 14     35.5693540              0.4697271        
 15     17.7666330              0.5159235        
 16      8.7123830              0.1369852        
 17      4.1449710              0.0048179        
 18      1.9696490              0.0015158        
S   18
  1 18226108.0000000            0.0000176        
  2 2728802.5000000             0.0000483        
  3 620997.7100000              0.0001248        
  4 175899.5800000              0.0002943        
  5  57387.4970000              0.0006806        
  6  20717.1810000              0.0015702        
  7   8078.8899000              0.0036720        
  8   3349.5170000              0.0086288        
  9   1459.7812000              0.0196348        
 10    662.8939100              0.0410530        
 11    311.3921500              0.0717503        
 12    149.9375100              0.0830652        
 13     72.4982490             -0.0147751        
 14     35.5693540             -0.3060106        
 15     17.7666330             -0.4924458        
 16      8.7123830              0.0173704        
 17      4.1449710              0.7241199        
 18      1.9696490              0.4816145        
S   18
  1 18226108.0000000           -0.0000056        
  2 2728802.5000000            -0.0000154        
  3 620997.7100000             -0.0000398        
  4 175899.5800000             -0.0000939        
  5  57387.4970000             -0.0002175        
  6  20717.1810000             -0.0005010        
  7   8078.8899000             -0.0011749        
  8   3349.5170000             -0.0027527        
  9   1459.7812000             -0.0063013        
 10    662.8939100             -0.0131196        
 11    311.3921500             -0.0232625        
 12    149.9375100             -0.0266687        
 13     72.4982490              0.0041194        
 14     35.5693540              0.1076512        
 15     17.7666330              0.1764312        
 16      8.7123830             -0.0044879        
 17      4.1449710             -0.3791695        
 18      1.9696490             -0.4281149        
S   1
  1      0.6799520              1.0000000        
S   1
  1      0.3245020              1.0000000        
S   1
  1      0.1374410              1.0000000        
P   13
  1  28600.8310000              0.0002534        
  2   6770.9912000              0.0010131        
  3   2199.0489000              0.0042729        
  4    841.1795700              0.0158146        
  5    356.7663300              0.0511469        
  6    162.6362000              0.1347035        
  7     77.9660350              0.2695313        
  8     38.6614890              0.3656351        
  9     19.5767910              0.2680330        
 10      9.7917610              0.0758652        
 11      4.8353830              0.0047626        
 12      2.3681250              0.0011771        
 13      1.0899960             -0.0002294        
P   13
  1  28600.8310000             -0.0001036        
  2   6770.9912000             -0.0004157        
  3   2199.0489000             -0.0017585        
  4    841.1795700             -0.0065757        
  5    356.7663300             -0.0216222        
  6    162.6362000             -0.0590317        
  7     77.9660350             -0.1235313        
  8     38.6614890             -0.1782107        
  9     19.5767910             -0.0889368        
 10      9.7917610              0.2246505        
 11      4.8353830              0.4903919        
 12      2.3681250              0.3649839        
 13      1.0899960              0.0721021        
P   13
  1  28600.8310000              0.0000281        
  2   6770.9912000              0.0001129        
  3   2199.0489000              0.0004774        
  4    841.1795700              0.0017895        
  5    356.7663300              0.0058901        
  6    162.6362000              0.0161827        
  7     77.9660350              0.0340172        
  8     38.6614890              0.0497318        
  9     19.5767910              0.0220555        
 10      9.7917610             -0.0778025        
 11      4.8353830             -0.1765263        
 12      2.3681250             -0.1520689        
 13      1.0899960              0.1361487        
P   1
  1      0.5045880              1.0000000        
P   1
  1      0.2184550              1.0000000        
P   1
  1      0.0899590              1.0000000        
D   9
  1   1437.7792000              0.0001457        
  2    434.2684600              0.0011947        
  3    168.9269900              0.0066778        
  4     74.7775350              0.0265666        
  5     35.5160240              0.0788804        
  6     17.6710510              0.1764128        
  7      9.0046110              0.2825681        
  8      4.5947730              0.3287200        
  9      2.3264860              0.2596116        
D   1
  1      1.1332470              1.0000000        
D   1
  1      0.4813070              1.0000000        
D   1
  1      0.2053000              1.0000000        
F   1
  1      0.4130000              1.0000000        
F   1
  1      0.9557000              1.0000000        
G   1
  1      0.7395000              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: 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: 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: 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: 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        


