# all_value

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


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


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


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


name: cc-pVQZ-NR
description: QZ3P All-electron non-relativistic Valence Quadruple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   21
  1 8417909.0000000             1.981292E-06     
  2 1260312.0000000             1.540697E-05     
  3 286798.4000000              8.106065E-05     
  4  81234.6900000              0.0003423943     
  5  26503.1100000              0.00124699       
  6   9568.7010000              0.004056425      
  7   3732.4970000              0.01200596       
  8   1548.4220000              0.03235944       
  9    675.5420000              0.07819972       
 10    307.2522000              0.1617396        
 11    144.6672000              0.2618480        
 12     70.0438700              0.2748284        
 13     34.3225000              0.1419647        
 14     15.6122400              0.07046176       
 15      7.7437220              0.1288392        
 16      3.8442600              0.09269352       
 17      1.7197660              0.01229949       
 18      0.8325230             -0.0004588239     
 19      0.3855640              0.0001722703     
 20      0.0967000             -5.410745E-05     
 21      0.0477780              4.892875E-05     
S   21
  1 8417909.0000000            -1.147926E-06     
  2 1260312.0000000            -8.929259E-06     
  3 286798.4000000             -4.696382E-05     
  4  81234.6900000             -0.0001985315     
  5  26503.1100000             -0.0007230932     
  6   9568.7010000             -0.002358822      
  7   3732.4970000             -0.007008148      
  8   1548.4220000             -0.01912407       
  9    675.5420000             -0.04728922       
 10    307.2522000             -0.1032480        
 11    144.6672000             -0.1861960        
 12     70.0438700             -0.2480547        
 13     34.3225000             -0.1614781        
 14     15.6122400              0.1779183        
 15      7.7437220              0.5324076        
 16      3.8442600              0.3752830        
 17      1.7197660              0.05198123       
 18      0.8325230             -0.004029053      
 19      0.3855640              0.0003794092     
 20      0.0967000             -0.0004006692     
 21      0.0477780              0.0003219248     
S   21
  1 8417909.0000000             2.221960E-07     
  2 1260312.0000000             1.729799E-06     
  3 286798.4000000              9.088001E-06     
  4  81234.6900000              3.848622E-05     
  5  26503.1100000              0.0001399997     
  6   9568.7010000              0.0004585975     
  7   3732.4970000              0.001364588      
  8   1548.4220000              0.003773739      
  9    675.5420000              0.009493887      
 10    307.2522000              0.02174611       
 11    144.6672000              0.04228528       
 12     70.0438700              0.0654061        
 13     34.3225000              0.04759732       
 14     15.6122400             -0.0816033        
 15      7.7437220             -0.3283980        
 16      3.8442600             -0.3654561        
 17      1.7197660              0.2102218        
 18      0.8325230              0.6856793        
 19      0.3855640              0.3684308        
 20      0.0967000              0.02050798       
 21      0.0477780             -0.006410776      
S   21
  1 8417909.0000000            -5.350285E-08     
  2 1260312.0000000            -4.164419E-07     
  3 286798.4000000             -2.188499E-06     
  4  81234.6900000             -9.264628E-06     
  5  26503.1100000             -3.371711E-05     
  6   9568.7010000             -0.0001103886     
  7   3732.4970000             -0.0003287051     
  8   1548.4220000             -0.000908425      
  9    675.5420000             -0.002288204      
 10    307.2522000             -0.005238462      
 11    144.6672000             -0.01021547       
 12     70.0438700             -0.01581707       
 13     34.3225000             -0.01162945       
 14     15.6122400              0.02013432       
 15      7.7437220              0.08405086       
 16      3.8442600              0.0984825        
 17      1.7197660             -0.06838523       
 18      0.8325230             -0.2353627        
 19      0.3855640             -0.2776984        
 20      0.0967000              0.2987423        
 21      0.0477780              0.6193723        
S   21
  1 8417909.0000000            -9.140993E-08     
  2 1260312.0000000            -7.270775E-07     
  3 286798.4000000             -3.702449E-06     
  4  81234.6900000             -1.633468E-05     
  5  26503.1100000             -5.64236E-05      
  6   9568.7010000             -0.000196819      
  7   3732.4970000             -0.0005428811     
  8   1548.4220000             -0.001642692      
  9    675.5420000             -0.003709752      
 10    307.2522000             -0.009699229      
 11    144.6672000             -0.0158935        
 12     70.0438700             -0.03149937       
 13     34.3225000             -0.0115392        
 14     15.6122400              0.01426789       
 15      7.7437220              0.1977719        
 16      3.8442600              0.09493216       
 17      1.7197660              0.0267895        
 18      0.8325230             -0.9351082        
 19      0.3855640              0.1820725        
 20      0.0967000              2.0774230        
 21      0.0477780             -1.1139440        
S   21
  1 8417909.0000000            -1.445075E-07     
  2 1260312.0000000            -1.167681E-06     
  3 286798.4000000             -5.810201E-06     
  4  81234.6900000             -2.64162E-05      
  5  26503.1100000             -8.781407E-05     
  6   9568.7010000             -0.0003207912     
  7   3732.4970000             -0.000836375      
  8   1548.4220000             -0.00270364       
  9    675.5420000             -0.00563396       
 10    307.2522000             -0.01622651       
 11    144.6672000             -0.02336426       
 12     70.0438700             -0.05523292       
 13     34.3225000             -0.008807771      
 14     15.6122400             -0.0002060869     
 15      7.7437220              0.3882857        
 16      3.8442600              0.0974343        
 17      1.7197660              0.006858569      
 18      0.8325230             -2.3215700        
 19      0.3855640              2.6665800        
 20      0.0967000              0.1898281        
 21      0.0477780             -2.6840650        
S   21
  1 8417909.0000000            -1.607992E-07     
  2 1260312.0000000            -1.216461E-06     
  3 286798.4000000             -6.659894E-06     
  4  81234.6900000             -2.670499E-05     
  5  26503.1100000             -0.0001039947     
  6   9568.7010000             -0.0003133995     
  7   3732.4970000             -0.001029884      
  8   1548.4220000             -0.002530633      
  9    675.5420000             -0.007335917      
 10    307.2522000             -0.01414587       
 11    144.6672000             -0.03451496       
 12     70.0438700             -0.03859251       
 13     34.3225000             -0.05560506       
 14     15.6122400              0.1025062        
 15      7.7437220              0.2265527        
 16      3.8442600              0.6017289        
 17      1.7197660             -1.4029740        
 18      0.8325230             -0.8478364        
 19      0.3855640              3.0947890        
 20      0.0967000             -5.7927330        
 21      0.0477780              6.9441580        
S   1
  1      0.0223630              1.0000000        
P   17
  1  22640.9700000              0.0000120        
  2   5357.5450000              0.0001070        
  3   1740.3730000              0.0006250        
  4    666.6163000              0.0028300        
  5    283.6384000              0.0105300        
  6    129.7976000              0.0328810        
  7     62.6795600              0.0858840        
  8     31.5044100              0.1800300        
  9     16.2352500              0.2892240        
 10      8.5183240              0.3279100        
 11      4.5190050              0.2101980        
 12      2.3665910              0.0546800        
 13      1.2152350              0.0018530        
 14      0.6143480             -0.0014170        
 15      0.3007450             -0.0009530        
 16      0.1260040             -0.0000510        
 17      0.0548400             -0.0000210        
P   17
  1  22640.9700000             -0.0000040        
  2   5357.5450000             -0.0000350        
  3   1740.3730000             -0.0002050        
  4    666.6163000             -0.0009320        
  5    283.6384000             -0.0034840        
  6    129.7976000             -0.0110190        
  7     62.6795600             -0.0294150        
  8     31.5044100             -0.0637130        
  9     16.2352500             -0.1060850        
 10      8.5183240             -0.1286380        
 11      4.5190050             -0.0530120        
 12      2.3665910              0.1740260        
 13      1.2152350              0.3925500        
 14      0.6143480              0.3965140        
 15      0.3007450              0.1765440        
 16      0.1260040              0.0191110        
 17      0.0548400              0.0000750        
P   17
  1  22640.9700000              0.0000010        
  2   5357.5450000              0.0000090        
  3   1740.3730000              0.0000500        
  4    666.6163000              0.0002270        
  5    283.6384000              0.0008530        
  6    129.7976000              0.0026860        
  7     62.6795600              0.0072250        
  8     31.5044100              0.0155900        
  9     16.2352500              0.0263030        
 10      8.5183240              0.0317770        
 11      4.5190050              0.0124830        
 12      2.3665910             -0.0526270        
 13      1.2152350             -0.1140250        
 14      0.6143480             -0.1463710        
 15      0.3007450             -0.0138630        
 16      0.1260040              0.3524440        
 17      0.0548400              0.5504540        
P   17
  1  22640.9700000              0.0000010        
  2   5357.5450000              0.0000100        
  3   1740.3730000              0.0000600        
  4    666.6163000              0.0002740        
  5    283.6384000              0.0010250        
  6    129.7976000              0.0032500        
  7     62.6795600              0.0086740        
  8     31.5044100              0.0188660        
  9     16.2352500              0.0314660        
 10      8.5183240              0.0386630        
 11      4.5190050              0.0149230        
 12      2.3665910             -0.0596700        
 13      1.2152350             -0.1347060        
 14      0.6143480             -0.1728090        
 15      0.3007450             -0.0806980        
 16      0.1260040              0.5542640        
 17      0.0548400              0.5500070        
P   17
  1  22640.9700000              0.0000020        
  2   5357.5450000              0.0000200        
  3   1740.3730000              0.0001280        
  4    666.6163000              0.0005340        
  5    283.6384000              0.0021640        
  6    129.7976000              0.0063070        
  7     62.6795600              0.0183770        
  8     31.5044100              0.0360160        
  9     16.2352500              0.0694300        
 10      8.5183240              0.0719490        
 11      4.5190050              0.0577890        
 12      2.3665910             -0.1752840        
 13      1.2152350             -0.3373290        
 14      0.6143480             -0.5644270        
 15      0.3007450              1.1633800        
 16      0.1260040              0.5658350        
 17      0.0548400             -0.9715060        
P   17
  1  22640.9700000             -0.0000020        
  2   5357.5450000             -0.0000290        
  3   1740.3730000             -0.0001300        
  4    666.6163000             -0.0007520        
  5    283.6384000             -0.0022120        
  6    129.7976000             -0.0088930        
  7     62.6795600             -0.0182620        
  8     31.5044100             -0.0530410        
  9     16.2352500             -0.0599390        
 10      8.5183240             -0.1556420        
 11      4.5190050              0.0095720        
 12      2.3665910              0.0918980        
 13      1.2152350              1.2567100        
 14      0.6143480             -1.0111150        
 15      0.3007450             -1.3688360        
 16      0.1260040              2.3777820        
 17      0.0548400             -1.1539840        
P   1
  1      0.0235570              1.0000000        
D   10
  1    145.4680000              0.0004940        
  2     43.4188000              0.0041980        
  3     16.5768000              0.0189670        
  4      6.9711100              0.0584080        
  5      3.1334700              0.1376050        
  6      1.4576800              0.2314700        
  7      0.6745380              0.2965300        
  8      0.3051620              0.3052000        
  9      0.1341130              0.2380750        
 10      0.0572700              0.1073860        
D   10
  1    145.4680000             -0.0005050        
  2     43.4188000             -0.0042930        
  3     16.5768000             -0.0194750        
  4      6.9711100             -0.0606310        
  5      3.1334700             -0.1436610        
  6      1.4576800             -0.2292940        
  7      0.6745380             -0.2619730        
  8      0.3051620             -0.0530060        
  9      0.1341130              0.4119990        
 10      0.0572700              0.4831900        
D   10
  1    145.4680000             -0.0006670        
  2     43.4188000             -0.0055930        
  3     16.5768000             -0.0259900        
  4      6.9711100             -0.0791400        
  5      3.1334700             -0.1936220        
  6      1.4576800             -0.2899810        
  7      0.6745380             -0.1702510        
  8      0.3051620              0.6126870        
  9      0.1341130              0.4817940        
 10      0.0572700             -0.6794480        
D   10
  1    145.4680000              0.0008360        
  2     43.4188000              0.0084950        
  3     16.5768000              0.0334810        
  4      6.9711100              0.1270110        
  5      3.1334700              0.2482810        
  6      1.4576800              0.4455630        
  7      0.6745380             -0.5406450        
  8      0.3051620             -0.8783940        
  9      0.1341130              1.4431180        
 10      0.0572700             -0.4690810        
D   1
  1      0.0233540              1.0000000        
F   1
  1      1.4167000              1.0000000        
F   1
  1      0.3992000              1.0000000        
F   1
  1      0.1125000              1.0000000        
G   1
  1      0.9963000              1.0000000        
G   1
  1      0.2573000              1.0000000        
H   1
  1      0.5016000              1.0000000        


name: cc-pVQZ-NR
description: QZ3P All-electron non-relativistic Valence Quadruple Zeta + Polarization
elt: Zn
data:
ZINC
S   21
  1      0.1785293E+08          2.106603E-06     
  2 2673038.0000000             1.638051E-05     
  3 608324.4000000              8.617178E-05     
  4 172317.6000000              0.0003640028     
  5  56222.6900000              0.001325778      
  6  20299.8500000              0.004315394      
  7   7918.8710000              0.01278917       
  8   3285.3400000              0.03459541       
  9   1433.5240000              0.08423468       
 10    652.2889000              0.1769497        
 11    307.4360000              0.2947718        
 12    149.1466000              0.3286054        
 13     73.4510800              0.1837326        
 14     33.9256200              0.0284564        
 15     17.1894700             -0.001562471      
 16      8.6665950              0.001057694      
 17      3.9725050             -0.0004832147     
 18      1.8946650              0.0001795943     
 19      0.8593850             -7.198366E-05     
 20      0.1952560              2.200105E-05     
 21      0.0858540             -1.56551E-05      
S   21
  1      0.1785293E+08         -6.503871E-07     
  2 2673038.0000000            -5.059606E-06     
  3 608324.4000000             -2.660362E-05     
  4 172317.6000000             -0.0001125168     
  5  56222.6900000             -0.0004098844     
  6  20299.8500000             -0.001340085      
  7   7918.8710000             -0.003996271      
  8   3285.3400000             -0.01102397       
  9   1433.5240000             -0.02783658       
 10    652.2889000             -0.0635220        
 11    307.4360000             -0.1235647        
 12    149.1466000             -0.1860330        
 13     73.4510800             -0.1345412        
 14     33.9256200              0.2026370        
 15     17.1894700              0.5627948        
 16      8.6665950              0.3687315        
 17      3.9725050              0.05055865       
 18      1.8946650             -0.00028561       
 19      0.8593850              0.001213965      
 20      0.1952560             -0.0001706895     
 21      0.0858540              0.0001266229     
S   21
  1      0.1785293E+08          2.455424E-07     
  2 2673038.0000000             1.911263E-06     
  3 608324.4000000              1.004137E-05     
  4 172317.6000000              4.25171E-05      
  5  56222.6900000              0.0001546957     
  6  20299.8500000              0.0005068054     
  7   7918.8710000              0.001509742      
  8   3285.3400000              0.004183744      
  9   1433.5240000              0.01058425       
 10    652.2889000              0.02447935       
 11    307.4360000              0.04837945       
 12    149.1466000              0.07630985       
 13     73.4510800              0.05798021       
 14     33.9256200             -0.1010517        
 15     17.1894700             -0.3950702        
 16      8.6665950             -0.3534286        
 17      3.9725050              0.3070109        
 18      1.8946650              0.6935144        
 19      0.8593850              0.3040583        
 20      0.1952560              0.01003318       
 21      0.0858540             -0.004007622      
S   21
  1      0.1785293E+08          4.916948E-08     
  2 2673038.0000000             3.829348E-07     
  3 608324.4000000              2.010287E-06     
  4 172317.6000000              8.520784E-06     
  5  56222.6900000              3.096268E-05     
  6  20299.8500000              0.000101604      
  7   7918.8710000              0.0003021322     
  8   3285.3400000              0.0008393851     
  9   1433.5240000              0.00211904       
 10    652.2889000              0.004923291      
 11    307.4360000              0.009713665      
 12    149.1466000              0.01549413       
 13     73.4510800              0.0117057        
 14     33.9256200             -0.02068558       
 15     17.1894700             -0.08652477       
 16      8.6665950             -0.07840824       
 17      3.9725050              0.07950591       
 18      1.8946650              0.2182560        
 19      0.8593850              0.1957366        
 20      0.1952560             -0.3195337        
 21      0.0858540             -0.5833695        
S   21
  1      0.1785293E+08         -1.379282E-07     
  2 2673038.0000000            -1.098688E-06     
  3 608324.4000000             -5.581627E-06     
  4 172317.6000000             -2.469757E-05     
  5  56222.6900000             -8.4997E-05       
  6  20299.8500000             -0.000297955      
  7   7918.8710000             -0.0008180999     
  8   3285.3400000             -0.002498043      
  9   1433.5240000             -0.005630866      
 10    652.2889000             -0.01501607       
 11    307.4360000             -0.02479935       
 12    149.1466000             -0.05092472       
 13     73.4510800             -0.01923797       
 14     33.9256200              0.0248084        
 15     17.1894700              0.3402582        
 16      8.6665950              0.1317501        
 17      3.9725050             -0.2092734        
 18      1.8946650             -1.2899700        
 19      0.8593850              0.9898685        
 20      0.1952560              1.4779600        
 21      0.0858540             -1.2347640        
S   21
  1      0.1785293E+08         -1.951222E-07     
  2 2673038.0000000            -1.513488E-06     
  3 608324.4000000             -7.991991E-06     
  4 172317.6000000             -3.361493E-05     
  5  56222.6900000             -0.0001233416     
  6  20299.8500000             -0.0004000292     
  7   7918.8710000             -0.001206705      
  8   3285.3400000             -0.003298144      
  9   1433.5240000             -0.008503531      
 10    652.2889000             -0.01932075       
 11    307.4360000             -0.0395118        
 12    149.1466000             -0.06074193       
 13     73.4510800             -0.05154698       
 14     33.9256200              0.0906352        
 15     17.1894700              0.3930253        
 16      8.6665950              0.5283548        
 17      3.9725050             -1.4626110        
 18      1.8946650             -0.8366769        
 19      0.8593850              2.6151680        
 20      0.1952560             -2.2413220        
 21      0.0858540              0.7597394        
S   21
  1      0.1785293E+08         -2.631275E-07     
  2 2673038.0000000            -1.954514E-06     
  3 608324.4000000             -1.098059E-05     
  4 172317.6000000             -4.252529E-05     
  5  56222.6900000             -0.0001728905     
  6  20299.8500000             -0.0004940605     
  7   7918.8710000             -0.001731281      
  8   3285.3400000             -0.003952778      
  9   1433.5240000             -0.01260194       
 10    652.2889000             -0.02205362       
 11    307.4360000             -0.06268701       
 12    149.1466000             -0.05878225       
 13     73.4510800             -0.1200370        
 14     33.9256200              0.2236128        
 15     17.1894700              0.4980742        
 16      8.6665950              1.1915800        
 17      3.9725050             -5.6490630        
 18      1.8946650              6.8434890        
 19      0.8593850             -3.3201000        
 20      0.1952560             -0.2249601        
 21      0.0858540              1.9021540        
S   1
  1      0.0367810              1.0000000        
P   17
  1  52867.9300000              0.0000110        
  2  12511.7900000              0.0000940        
  3   4065.2860000              0.0005510        
  4   1557.5950000              0.0025110        
  5    663.2892000              0.0094700        
  6    304.1561000              0.0301690        
  7    147.3680000              0.0808550        
  8     74.4546900              0.1751390        
  9     38.7149300              0.2897160        
 10     20.5702200              0.3298490        
 11     11.0542500              0.2092940        
 12      5.8746610              0.0562590        
 13      3.0529360              0.0050520        
 14      1.5472250              0.0009970        
 15      0.7541510              0.0001870        
 16      0.2653490              0.0000510        
 17      0.1020670             -0.0000130        
P   17
  1  52867.9300000             -0.0000040        
  2  12511.7900000             -0.0000350        
  3   4065.2860000             -0.0002060        
  4   1557.5950000             -0.0009420        
  5    663.2892000             -0.0035700        
  6    304.1561000             -0.0115400        
  7    147.3680000             -0.0316520        
  8     74.4546900             -0.0712850        
  9     38.7149300             -0.1232840        
 10     20.5702200             -0.1476380        
 11     11.0542500             -0.0444770        
 12      5.8746610              0.2053650        
 13      3.0529360              0.4100860        
 14      1.5472250              0.3721450        
 15      0.7541510              0.1581180        
 16      0.2653490              0.0145400        
 17      0.1020670             -0.0016080        
P   17
  1  52867.9300000              0.0000010        
  2  12511.7900000              0.0000060        
  3   4065.2860000              0.0000380        
  4   1557.5950000              0.0001730        
  5    663.2892000              0.0006640        
  6    304.1561000              0.0021200        
  7    147.3680000              0.0059160        
  8     74.4546900              0.0131530        
  9     38.7149300              0.0233720        
 10     20.5702200              0.0272210        
 11     11.0542500              0.0083340        
 12      5.8746610             -0.0488600        
 13      3.0529360             -0.0888940        
 14      1.5472250             -0.1036180        
 15      0.7541510              0.0010510        
 16      0.2653490              0.3030640        
 17      0.1020670              0.5427240        
P   17
  1  52867.9300000              0.0000010        
  2  12511.7900000              0.0000110        
  3   4065.2860000              0.0000670        
  4   1557.5950000              0.0002960        
  5    663.2892000              0.0011570        
  6    304.1561000              0.0036340        
  7    147.3680000              0.0103070        
  8     74.4546900              0.0224820        
  9     38.7149300              0.0410330        
 10     20.5702200              0.0464600        
 11     11.0542500              0.0181460        
 12      5.8746610             -0.0943640        
 13      3.0529360             -0.1601770        
 14      1.5472250             -0.1808950        
 15      0.7541510              0.0948260        
 16      0.2653490              0.6291530        
 17      0.1020670              0.4083180        
P   17
  1  52867.9300000              0.0000030        
  2  12511.7900000              0.0000240        
  3   4065.2860000              0.0001590        
  4   1557.5950000              0.0006460        
  5    663.2892000              0.0027470        
  6    304.1561000              0.0079380        
  7    147.3680000              0.0246010        
  8     74.4546900              0.0485760        
  9     38.7149300              0.1006820        
 10     20.5702200              0.0984680        
 11     11.0542500              0.0862350        
 12      5.8746610             -0.3793800        
 13      3.0529360             -0.4203930        
 14      1.5472250             -0.1825620        
 15      0.7541510              1.1778870        
 16      0.2653490              0.0519740        
 17      0.1020670             -0.7444770        
P   17
  1  52867.9300000             -0.0000030        
  2  12511.7900000             -0.0000360        
  3   4065.2860000             -0.0001740        
  4   1557.5950000             -0.0009530        
  5    663.2892000             -0.0030470        
  6    304.1561000             -0.0117360        
  7    147.3680000             -0.0270160        
  8     74.4546900             -0.0747980        
  9     38.7149300             -0.0982370        
 10     20.5702200             -0.2150840        
 11     11.0542500             -0.0322140        
 12      5.8746610              0.7563080        
 13      3.0529360              0.7019320        
 14      1.5472250             -1.8141870        
 15      0.7541510              0.2914540        
 16      0.2653490              1.2956230        
 17      0.1020670             -1.0670890        
P   1
  1      0.0387550              1.0000000        
D   10
  1    639.7806000              0.0002080        
  2    192.6742000              0.0019540        
  3     74.8436800              0.0107110        
  4     32.8604800              0.0390570        
  5     15.3935300              0.1048480        
  6      7.5255120              0.2045690        
  7      3.7154290              0.2852080        
  8      1.8064590              0.3014460        
  9      0.8529730              0.2462280        
 10      0.3847800              0.1390160        
D   10
  1    639.7806000             -0.0002900        
  2    192.6742000             -0.0027380        
  3     74.8436800             -0.0151110        
  4     32.8604800             -0.0556430        
  5     15.3935300             -0.1558640        
  6      7.5255120             -0.3034890        
  7      3.7154290             -0.3062760        
  8      1.8064590              0.0333950        
  9      0.8529730              0.4000750        
 10      0.3847800              0.3899720        
D   10
  1    639.7806000             -0.0003170        
  2    192.6742000             -0.0030560        
  3     74.8436800             -0.0167530        
  4     32.8604800             -0.0627120        
  5     15.3935300             -0.1879800        
  6      7.5255120             -0.3720840        
  7      3.7154290             -0.0234390        
  8      1.8064590              0.6054700        
  9      0.8529730              0.3230630        
 10      0.3847800             -0.4713720        
D   10
  1    639.7806000              0.0004520        
  2    192.6742000              0.0038790        
  3     74.8436800              0.0235700        
  4     32.8604800              0.0825260        
  5     15.3935300              0.2972800        
  6      7.5255120              0.4368320        
  7      3.7154290             -0.6042900        
  8      1.8064590             -0.6746050        
  9      0.8529730              0.9387020        
 10      0.3847800              0.2779680        
D   1
  1      0.1593370              1.0000000        
F   1
  1      8.6960000              1.0000000        
F   1
  1      2.7236000              1.0000000        
F   1
  1      0.8530000              1.0000000        
G   1
  1      6.8933000              1.0000000        
G   1
  1      2.0693000              1.0000000        
H   1
  1      4.4136000              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Sc
data:
SCANDIUM
S   1
  1    215.6790000              1.0000000        
S   1
  1    126.6830000              1.0000000        
S   1
  1     52.1795000              1.0000000        
S   1
  1     20.6449000              1.0000000        
S   1
  1      8.2952400              1.0000000        
S   1
  1      3.4988700              1.0000000        
S   1
  1      1.8986600              1.0000000        
S   1
  1      1.2271600              1.0000000        
S   1
  1      0.7584390              1.0000000        
S   1
  1      0.4723890              1.0000000        
S   1
  1      0.1692090              1.0000000        
S   1
  1      0.0909070              1.0000000        
S   1
  1      0.0509670              1.0000000        
P   1
  1    106.9170000              1.0000000        
P   1
  1     37.3716000              1.0000000        
P   1
  1     18.1065000              1.0000000        
P   1
  1      7.9133000              1.0000000        
P   1
  1      3.2428400              1.0000000        
P   1
  1      1.6726900              1.0000000        
P   1
  1      0.8150120              1.0000000        
P   1
  1      0.6079970              1.0000000        
P   1
  1      0.4283020              1.0000000        
P   1
  1      0.1788320              1.0000000        
P   1
  1      0.1023810              1.0000000        
P   1
  1      0.0526820              1.0000000        
D   1
  1     27.4621000              1.0000000        
D   1
  1      8.6024900              1.0000000        
D   1
  1      5.3722300              1.0000000        
D   1
  1      2.5792900              1.0000000        
D   1
  1      1.4992400              1.0000000        
D   1
  1      0.7743910              1.0000000        
D   1
  1      0.3675720              1.0000000        
D   1
  1      0.1859760              1.0000000        
D   1
  1      0.1049200              1.0000000        
D   1
  1      0.0527290              1.0000000        
F   1
  1     18.3645000              1.0000000        
F   1
  1      7.4498000              1.0000000        
F   1
  1      2.8649600              1.0000000        
F   1
  1      1.7096600              1.0000000        
F   1
  1      0.8508920              1.0000000        
F   1
  1      0.5235400              1.0000000        
F   1
  1      0.2536730              1.0000000        
F   1
  1      0.1508660              1.0000000        
F   1
  1      0.0726910              1.0000000        
G   1
  1     11.8669000              1.0000000        
G   1
  1      4.1832100              1.0000000        
G   1
  1      1.7499100              1.0000000        
G   1
  1      1.0134900              1.0000000        
G   1
  1      0.3030700              1.0000000        
G   1
  1      0.1762710              1.0000000        
G   1
  1      0.0874220              1.0000000        
H   1
  1      4.8975300              1.0000000        
H   1
  1      2.2325100              1.0000000        
H   1
  1      0.9895890              1.0000000        
H   1
  1      0.5648920              1.0000000        
H   1
  1      0.2532280              1.0000000        
I   1
  1      4.0664100              1.0000000        
I   1
  1      1.7037900              1.0000000        
I   1
  1      0.9028570              1.0000000        
I   1
  1      0.4455150              1.0000000        
K   1
  1      1.8807300              1.0000000        
K   1
  1      0.7995290              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Ti
data:
TITANIUM
S   1
  1    233.3170000              1.0000000        
S   1
  1    142.5390000              1.0000000        
S   1
  1     61.2313000              1.0000000        
S   1
  1     24.7638000              1.0000000        
S   1
  1      9.4744000              1.0000000        
S   1
  1      3.6212800              1.0000000        
S   1
  1      1.9132200              1.0000000        
S   1
  1      1.2305000              1.0000000        
S   1
  1      0.7594350              1.0000000        
S   1
  1      0.4941400              1.0000000        
S   1
  1      0.2120330              1.0000000        
S   1
  1      0.1114080              1.0000000        
S   1
  1      0.0546720              1.0000000        
P   1
  1    112.5550000              1.0000000        
P   1
  1     40.2767000              1.0000000        
P   1
  1     19.4593000              1.0000000        
P   1
  1      8.7684700              1.0000000        
P   1
  1      4.2470700              1.0000000        
P   1
  1      1.9789400              1.0000000        
P   1
  1      0.8349170              1.0000000        
P   1
  1      0.6422020              1.0000000        
P   1
  1      0.4705880              1.0000000        
P   1
  1      0.2135510              1.0000000        
P   1
  1      0.1166570              1.0000000        
P   1
  1      0.0560040              1.0000000        
D   1
  1     32.6615000              1.0000000        
D   1
  1     15.2374000              1.0000000        
D   1
  1      7.4239000              1.0000000        
D   1
  1      3.4226100              1.0000000        
D   1
  1      1.6203600              1.0000000        
D   1
  1      0.8022810              1.0000000        
D   1
  1      0.4245090              1.0000000        
D   1
  1      0.1993150              1.0000000        
D   1
  1      0.1314080              1.0000000        
D   1
  1      0.0621810              1.0000000        
F   1
  1     20.5465000              1.0000000        
F   1
  1      8.0235200              1.0000000        
F   1
  1      3.2050000              1.0000000        
F   1
  1      1.7818800              1.0000000        
F   1
  1      0.9793350              1.0000000        
F   1
  1      0.6264680              1.0000000        
F   1
  1      0.2745170              1.0000000        
F   1
  1      0.1600850              1.0000000        
F   1
  1      0.0842500              1.0000000        
G   1
  1     12.8787000              1.0000000        
G   1
  1      4.6652900              1.0000000        
G   1
  1      1.9560800              1.0000000        
G   1
  1      0.8952370              1.0000000        
G   1
  1      0.4687060              1.0000000        
G   1
  1      0.1982770              1.0000000        
G   1
  1      0.0973030              1.0000000        
H   1
  1      5.5184300              1.0000000        
H   1
  1      2.9459100              1.0000000        
H   1
  1      1.3936800              1.0000000        
H   1
  1      0.8961590              1.0000000        
H   1
  1      0.3410490              1.0000000        
I   1
  1      4.2342200              1.0000000        
I   1
  1      2.2185800              1.0000000        
I   1
  1      1.2471400              1.0000000        
I   1
  1      0.6153230              1.0000000        
K   1
  1      2.4941100              1.0000000        
K   1
  1      1.2426500              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: V
data:
VANADIUM
S   1
  1    286.9330000              1.0000000        
S   1
  1    157.7470000              1.0000000        
S   1
  1     69.1582000              1.0000000        
S   1
  1     28.5322000              1.0000000        
S   1
  1     11.2122000              1.0000000        
S   1
  1      6.1921000              1.0000000        
S   1
  1      3.2433500              1.0000000        
S   1
  1      1.8842600              1.0000000        
S   1
  1      0.9050660              1.0000000        
S   1
  1      0.5435840              1.0000000        
S   1
  1      0.2235610              1.0000000        
S   1
  1      0.0890980              1.0000000        
S   1
  1      0.0642670              1.0000000        
P   1
  1    124.2770000              1.0000000        
P   1
  1     52.3316000              1.0000000        
P   1
  1     21.7522000              1.0000000        
P   1
  1      9.8330700              1.0000000        
P   1
  1      5.2952900              1.0000000        
P   1
  1      2.5703900              1.0000000        
P   1
  1      1.0170600              1.0000000        
P   1
  1      0.7864650              1.0000000        
P   1
  1      0.5750130              1.0000000        
P   1
  1      0.2175350              1.0000000        
P   1
  1      0.1171890              1.0000000        
P   1
  1      0.0626040              1.0000000        
D   1
  1     50.2711000              1.0000000        
D   1
  1     16.7760000              1.0000000        
D   1
  1      8.1791500              1.0000000        
D   1
  1      3.5273000              1.0000000        
D   1
  1      2.1111500              1.0000000        
D   1
  1      0.8968620              1.0000000        
D   1
  1      0.6762530              1.0000000        
D   1
  1      0.3021950              1.0000000        
D   1
  1      0.1580750              1.0000000        
D   1
  1      0.0794760              1.0000000        
F   1
  1     29.8687000              1.0000000        
F   1
  1      9.5644700              1.0000000        
F   1
  1      4.6538900              1.0000000        
F   1
  1      2.3923100              1.0000000        
F   1
  1      1.3970100              1.0000000        
F   1
  1      0.7892970              1.0000000        
F   1
  1      0.3940030              1.0000000        
F   1
  1      0.2468090              1.0000000        
F   1
  1      0.1265300              1.0000000        
G   1
  1     19.1913000              1.0000000        
G   1
  1      6.7624400              1.0000000        
G   1
  1      2.7651800              1.0000000        
G   1
  1      1.4981000              1.0000000        
G   1
  1      0.6838040              1.0000000        
G   1
  1      0.4421030              1.0000000        
G   1
  1      0.1504660              1.0000000        
H   1
  1      9.6107500              1.0000000        
H   1
  1      4.5797700              1.0000000        
H   1
  1      2.1908900              1.0000000        
H   1
  1      1.3395800              1.0000000        
H   1
  1      0.5421980              1.0000000        
I   1
  1      5.9493200              1.0000000        
I   1
  1      3.1740300              1.0000000        
I   1
  1      1.8053500              1.0000000        
I   1
  1      0.9253370              1.0000000        
K   1
  1      3.7783200              1.0000000        
K   1
  1      1.9297600              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Cr
data:
CHROMIUM
S   1
  1    328.8940000              1.0000000        
S   1
  1    165.7300000              1.0000000        
S   1
  1     75.1535000              1.0000000        
S   1
  1     31.5321000              1.0000000        
S   1
  1     13.1886000              1.0000000        
S   1
  1      7.0688800              1.0000000        
S   1
  1      3.7590700              1.0000000        
S   1
  1      1.9650100              1.0000000        
S   1
  1      0.8985760              1.0000000        
S   1
  1      0.5210470              1.0000000        
S   1
  1      0.2175680              1.0000000        
S   1
  1      0.0862130              1.0000000        
S   1
  1      0.0649180              1.0000000        
P   1
  1    139.3180000              1.0000000        
P   1
  1     58.4358000              1.0000000        
P   1
  1     25.8858000              1.0000000        
P   1
  1     11.7726000              1.0000000        
P   1
  1      6.5543500              1.0000000        
P   1
  1      3.3386300              1.0000000        
P   1
  1      1.1195300              1.0000000        
P   1
  1      0.7623470              1.0000000        
P   1
  1      0.5542060              1.0000000        
P   1
  1      0.2794210              1.0000000        
P   1
  1      0.1220900              1.0000000        
P   1
  1      0.0669280              1.0000000        
D   1
  1     86.2913000              1.0000000        
D   1
  1     18.4390000              1.0000000        
D   1
  1      9.1407200              1.0000000        
D   1
  1      3.6158800              1.0000000        
D   1
  1      2.4928200              1.0000000        
D   1
  1      0.9828200              1.0000000        
D   1
  1      0.7225860              1.0000000        
D   1
  1      0.3443910              1.0000000        
D   1
  1      0.1665210              1.0000000        
D   1
  1      0.0851030              1.0000000        
F   1
  1     41.5721000              1.0000000        
F   1
  1     11.7171000              1.0000000        
F   1
  1      5.6425200              1.0000000        
F   1
  1      2.5212500              1.0000000        
F   1
  1      1.6109700              1.0000000        
F   1
  1      0.7366710              1.0000000        
F   1
  1      0.4469730              1.0000000        
F   1
  1      0.2815540              1.0000000        
F   1
  1      0.1473640              1.0000000        
G   1
  1     25.9176000              1.0000000        
G   1
  1      8.5051800              1.0000000        
G   1
  1      3.3872800              1.0000000        
G   1
  1      1.6098800              1.0000000        
G   1
  1      0.8051420              1.0000000        
G   1
  1      0.3466380              1.0000000        
G   1
  1      0.1604490              1.0000000        
H   1
  1     14.4473000              1.0000000        
H   1
  1      6.1120300              1.0000000        
H   1
  1      2.5079600              1.0000000        
H   1
  1      1.5474600              1.0000000        
H   1
  1      0.6052380              1.0000000        
I   1
  1      7.2585700              1.0000000        
I   1
  1      3.7941700              1.0000000        
I   1
  1      1.8947300              1.0000000        
I   1
  1      1.0240500              1.0000000        
K   1
  1      4.4406500              1.0000000        
K   1
  1      2.3385700              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Mn
data:
MANGANESE
S   1
  1    396.4500000              1.0000000        
S   1
  1    178.2130000              1.0000000        
S   1
  1     79.4473000              1.0000000        
S   1
  1     33.6302000              1.0000000        
S   1
  1     14.8097000              1.0000000        
S   1
  1      7.2911800              1.0000000        
S   1
  1      4.2578700              1.0000000        
S   1
  1      2.0392900              1.0000000        
S   1
  1      0.9907890              1.0000000        
S   1
  1      0.5483150              1.0000000        
S   1
  1      0.2429700              1.0000000        
S   1
  1      0.0927930              1.0000000        
S   1
  1      0.0704030              1.0000000        
P   1
  1    148.7080000              1.0000000        
P   1
  1     62.2112000              1.0000000        
P   1
  1     26.0701000              1.0000000        
P   1
  1     12.3547000              1.0000000        
P   1
  1      7.2605200              1.0000000        
P   1
  1      4.1708100              1.0000000        
P   1
  1      1.3932100              1.0000000        
P   1
  1      0.8122440              1.0000000        
P   1
  1      0.5847270              1.0000000        
P   1
  1      0.2989110              1.0000000        
P   1
  1      0.1227890              1.0000000        
P   1
  1      0.0707740              1.0000000        
D   1
  1    111.8230000              1.0000000        
D   1
  1     20.3436000              1.0000000        
D   1
  1      9.4402400              1.0000000        
D   1
  1      4.1591300              1.0000000        
D   1
  1      2.9120800              1.0000000        
D   1
  1      1.1853800              1.0000000        
D   1
  1      0.8454790              1.0000000        
D   1
  1      0.3893500              1.0000000        
D   1
  1      0.1907820              1.0000000        
D   1
  1      0.0935000              1.0000000        
F   1
  1     44.8867000              1.0000000        
F   1
  1     12.0752000              1.0000000        
F   1
  1      6.1188100              1.0000000        
F   1
  1      2.7575500              1.0000000        
F   1
  1      1.8068500              1.0000000        
F   1
  1      0.8121220              1.0000000        
F   1
  1      0.4862330              1.0000000        
F   1
  1      0.2829960              1.0000000        
F   1
  1      0.1495920              1.0000000        
G   1
  1     29.6187000              1.0000000        
G   1
  1      9.7274100              1.0000000        
G   1
  1      3.9549100              1.0000000        
G   1
  1      1.8216600              1.0000000        
G   1
  1      0.9446910              1.0000000        
G   1
  1      0.3838840              1.0000000        
G   1
  1      0.1866240              1.0000000        
H   1
  1     18.5711000              1.0000000        
H   1
  1      7.3785600              1.0000000        
H   1
  1      2.9772100              1.0000000        
H   1
  1      1.8533000              1.0000000        
H   1
  1      0.7278420              1.0000000        
I   1
  1      8.1215600              1.0000000        
I   1
  1      4.4168800              1.0000000        
I   1
  1      1.8610600              1.0000000        
I   1
  1      1.1111200              1.0000000        
K   1
  1      5.3992600              1.0000000        
K   1
  1      2.8078600              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Fe
data:
IRON
S   1
  1    423.8440000              1.0000000        
S   1
  1    186.6100000              1.0000000        
S   1
  1     82.3759000              1.0000000        
S   1
  1     35.1298000              1.0000000        
S   1
  1     15.2303000              1.0000000        
S   1
  1      8.1093200              1.0000000        
S   1
  1      4.4798400              1.0000000        
S   1
  1      2.2324500              1.0000000        
S   1
  1      1.1091300              1.0000000        
S   1
  1      0.6916570              1.0000000        
S   1
  1      0.2634300              1.0000000        
S   1
  1      0.1044300              1.0000000        
S   1
  1      0.0727640              1.0000000        
P   1
  1    155.1060000              1.0000000        
P   1
  1     69.3054000              1.0000000        
P   1
  1     28.1861000              1.0000000        
P   1
  1     13.4105000              1.0000000        
P   1
  1      8.5524800              1.0000000        
P   1
  1      4.8202500              1.0000000        
P   1
  1      1.6235500              1.0000000        
P   1
  1      0.9495730              1.0000000        
P   1
  1      0.6425840              1.0000000        
P   1
  1      0.3147260              1.0000000        
P   1
  1      0.1303630              1.0000000        
P   1
  1      0.0760120              1.0000000        
D   1
  1    132.7750000              1.0000000        
D   1
  1     23.0075000              1.0000000        
D   1
  1      9.7901500              1.0000000        
D   1
  1      4.4153400              1.0000000        
D   1
  1      3.1400700              1.0000000        
D   1
  1      1.3110000              1.0000000        
D   1
  1      0.8772670              1.0000000        
D   1
  1      0.4141220              1.0000000        
D   1
  1      0.2107230              1.0000000        
D   1
  1      0.1014780              1.0000000        
F   1
  1     46.8343000              1.0000000        
F   1
  1     11.9976000              1.0000000        
F   1
  1      6.6549700              1.0000000        
F   1
  1      2.9738300              1.0000000        
F   1
  1      1.9178700              1.0000000        
F   1
  1      0.9105230              1.0000000        
F   1
  1      0.5837290              1.0000000        
F   1
  1      0.3297620              1.0000000        
F   1
  1      0.1615100              1.0000000        
G   1
  1     30.7728000              1.0000000        
G   1
  1     10.7782000              1.0000000        
G   1
  1      4.6512100              1.0000000        
G   1
  1      2.1115300              1.0000000        
G   1
  1      1.1314500              1.0000000        
G   1
  1      0.4477460              1.0000000        
G   1
  1      0.2090830              1.0000000        
H   1
  1     19.9567000              1.0000000        
H   1
  1      8.2966300              1.0000000        
H   1
  1      3.3088600              1.0000000        
H   1
  1      1.9718300              1.0000000        
H   1
  1      0.8510110              1.0000000        
I   1
  1      8.8058400              1.0000000        
I   1
  1      5.0245600              1.0000000        
I   1
  1      2.0699000              1.0000000        
I   1
  1      1.1860600              1.0000000        
K   1
  1      6.7531700              1.0000000        
K   1
  1      3.3813800              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Co
data:
COBALT
S   1
  1    447.2700000              1.0000000        
S   1
  1    202.4970000              1.0000000        
S   1
  1     89.6711000              1.0000000        
S   1
  1     40.2674000              1.0000000        
S   1
  1     16.4337000              1.0000000        
S   1
  1      8.7133000              1.0000000        
S   1
  1      4.8782500              1.0000000        
S   1
  1      2.6300400              1.0000000        
S   1
  1      1.1464800              1.0000000        
S   1
  1      0.6941590              1.0000000        
S   1
  1      0.2729720              1.0000000        
S   1
  1      0.1133450              1.0000000        
S   1
  1      0.0686660              1.0000000        
P   1
  1    167.2990000              1.0000000        
P   1
  1     77.0368000              1.0000000        
P   1
  1     31.1151000              1.0000000        
P   1
  1     14.8411000              1.0000000        
P   1
  1      9.2093600              1.0000000        
P   1
  1      5.3879200              1.0000000        
P   1
  1      1.8047800              1.0000000        
P   1
  1      1.0659700              1.0000000        
P   1
  1      0.6649480              1.0000000        
P   1
  1      0.3302710              1.0000000        
P   1
  1      0.1375200              1.0000000        
P   1
  1      0.0791000              1.0000000        
D   1
  1    138.0450000              1.0000000        
D   1
  1     26.0241000              1.0000000        
D   1
  1     10.3336000              1.0000000        
D   1
  1      4.8292500              1.0000000        
D   1
  1      3.2686600              1.0000000        
D   1
  1      1.4326700              1.0000000        
D   1
  1      0.7668870              1.0000000        
D   1
  1      0.4106890              1.0000000        
D   1
  1      0.2276390              1.0000000        
D   1
  1      0.1087070              1.0000000        
F   1
  1     51.1731000              1.0000000        
F   1
  1     13.4732000              1.0000000        
F   1
  1      7.9887500              1.0000000        
F   1
  1      3.5741600              1.0000000        
F   1
  1      2.4005900              1.0000000        
F   1
  1      1.0197700              1.0000000        
F   1
  1      0.6295740              1.0000000        
F   1
  1      0.2740730              1.0000000        
F   1
  1      0.1520760              1.0000000        
G   1
  1     33.3625000              1.0000000        
G   1
  1     11.9146000              1.0000000        
G   1
  1      5.2935200              1.0000000        
G   1
  1      2.3331100              1.0000000        
G   1
  1      1.2728900              1.0000000        
G   1
  1      0.4888900              1.0000000        
G   1
  1      0.2169050              1.0000000        
H   1
  1     21.1253000              1.0000000        
H   1
  1      9.4268300              1.0000000        
H   1
  1      3.7507600              1.0000000        
H   1
  1      2.2012500              1.0000000        
H   1
  1      0.9779990              1.0000000        
I   1
  1      9.2933200              1.0000000        
I   1
  1      5.2582400              1.0000000        
I   1
  1      2.5338400              1.0000000        
I   1
  1      1.5863700              1.0000000        
K   1
  1      7.3629900              1.0000000        
K   1
  1      3.8694200              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Ni
data:
NICKEL
S   1
  1    475.5460000              1.0000000        
S   1
  1    213.8270000              1.0000000        
S   1
  1     98.2317000              1.0000000        
S   1
  1     44.4874000              1.0000000        
S   1
  1     18.7965000              1.0000000        
S   1
  1      9.3142400              1.0000000        
S   1
  1      5.3793100              1.0000000        
S   1
  1      2.9827600              1.0000000        
S   1
  1      1.2309400              1.0000000        
S   1
  1      0.7364370              1.0000000        
S   1
  1      0.3155310              1.0000000        
S   1
  1      0.1181720              1.0000000        
S   1
  1      0.0751130              1.0000000        
P   1
  1    173.5680000              1.0000000        
P   1
  1     81.1279000              1.0000000        
P   1
  1     32.7358000              1.0000000        
P   1
  1     16.0368000              1.0000000        
P   1
  1      9.7122200              1.0000000        
P   1
  1      6.2973700              1.0000000        
P   1
  1      2.0086000              1.0000000        
P   1
  1      1.1467600              1.0000000        
P   1
  1      0.7151250              1.0000000        
P   1
  1      0.3308180              1.0000000        
P   1
  1      0.1374560              1.0000000        
P   1
  1      0.0800270              1.0000000        
D   1
  1    141.4450000              1.0000000        
D   1
  1     27.4129000              1.0000000        
D   1
  1     11.3669000              1.0000000        
D   1
  1      5.3132200              1.0000000        
D   1
  1      3.3799800              1.0000000        
D   1
  1      1.5830700              1.0000000        
D   1
  1      0.8226000              1.0000000        
D   1
  1      0.4272240              1.0000000        
D   1
  1      0.2360220              1.0000000        
D   1
  1      0.1196960              1.0000000        
F   1
  1     55.1077000              1.0000000        
F   1
  1     14.5972000              1.0000000        
F   1
  1      9.1043100              1.0000000        
F   1
  1      3.7336900              1.0000000        
F   1
  1      2.7354200              1.0000000        
F   1
  1      1.1168400              1.0000000        
F   1
  1      0.7147430              1.0000000        
F   1
  1      0.3046700              1.0000000        
F   1
  1      0.1783140              1.0000000        
G   1
  1     37.8586000              1.0000000        
G   1
  1     14.6650000              1.0000000        
G   1
  1      6.6805800              1.0000000        
G   1
  1      2.9871600              1.0000000        
G   1
  1      1.5789300              1.0000000        
G   1
  1      0.6125280              1.0000000        
G   1
  1      0.3053170              1.0000000        
H   1
  1     22.1752000              1.0000000        
H   1
  1     10.3831000              1.0000000        
H   1
  1      4.3660800              1.0000000        
H   1
  1      2.5470700              1.0000000        
H   1
  1      1.1822700              1.0000000        
I   1
  1     11.4471000              1.0000000        
I   1
  1      6.6142500              1.0000000        
I   1
  1      2.8601600              1.0000000        
I   1
  1      1.5866500              1.0000000        
K   1
  1      8.9814200              1.0000000        
K   1
  1      4.6964300              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Cu
data:
COPPER
S   1
  1    492.5130000              1.0000000        
S   1
  1    221.4740000              1.0000000        
S   1
  1    105.6640000              1.0000000        
S   1
  1     49.5662000              1.0000000        
S   1
  1     21.6985000              1.0000000        
S   1
  1     10.1104000              1.0000000        
S   1
  1      5.5612800              1.0000000        
S   1
  1      3.0935700              1.0000000        
S   1
  1      1.2955800              1.0000000        
S   1
  1      0.7874210              1.0000000        
S   1
  1      0.3451280              1.0000000        
S   1
  1      0.1238220              1.0000000        
S   1
  1      0.0837850              1.0000000        
P   1
  1    187.4000000              1.0000000        
P   1
  1     86.2278000              1.0000000        
P   1
  1     34.9641000              1.0000000        
P   1
  1     18.1470000              1.0000000        
P   1
  1     10.0993000              1.0000000        
P   1
  1      6.6307600              1.0000000        
P   1
  1      2.2792600              1.0000000        
P   1
  1      1.2356700              1.0000000        
P   1
  1      0.7469870              1.0000000        
P   1
  1      0.3606480              1.0000000        
P   1
  1      0.1597550              1.0000000        
P   1
  1      0.0804660              1.0000000        
D   1
  1    153.5820000              1.0000000        
D   1
  1     29.5736000              1.0000000        
D   1
  1     12.9349000              1.0000000        
D   1
  1      6.0467600              1.0000000        
D   1
  1      3.6589100              1.0000000        
D   1
  1      1.7433800              1.0000000        
D   1
  1      0.9554960              1.0000000        
D   1
  1      0.4988270              1.0000000        
D   1
  1      0.2429250              1.0000000        
D   1
  1      0.1292370              1.0000000        
F   1
  1     59.5452000              1.0000000        
F   1
  1     16.7922000              1.0000000        
F   1
  1      9.8521900              1.0000000        
F   1
  1      4.0771900              1.0000000        
F   1
  1      2.8264200              1.0000000        
F   1
  1      1.1740400              1.0000000        
F   1
  1      0.7635340              1.0000000        
F   1
  1      0.3364560              1.0000000        
F   1
  1      0.2034120              1.0000000        
G   1
  1     40.6048000              1.0000000        
G   1
  1     15.8469000              1.0000000        
G   1
  1      7.4429200              1.0000000        
G   1
  1      3.3056000              1.0000000        
G   1
  1      1.8084200              1.0000000        
G   1
  1      0.6968530              1.0000000        
G   1
  1      0.3264040              1.0000000        
H   1
  1     22.4749000              1.0000000        
H   1
  1     11.2400000              1.0000000        
H   1
  1      4.7757400              1.0000000        
H   1
  1      2.6675100              1.0000000        
H   1
  1      1.2854100              1.0000000        
I   1
  1     12.5964000              1.0000000        
I   1
  1      7.2323900              1.0000000        
I   1
  1      3.4299700              1.0000000        
I   1
  1      2.0413800              1.0000000        
K   1
  1     10.0605000              1.0000000        
K   1
  1      5.2891500              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Zn
data:
ZINC
S   1
  1    518.4800000              1.0000000        
S   1
  1    246.4610000              1.0000000        
S   1
  1    116.6600000              1.0000000        
S   1
  1     54.5598000              1.0000000        
S   1
  1     24.7342000              1.0000000        
S   1
  1     12.1299000              1.0000000        
S   1
  1      5.8088100              1.0000000        
S   1
  1      3.2178600              1.0000000        
S   1
  1      1.4068700              1.0000000        
S   1
  1      0.9008710              1.0000000        
S   1
  1      0.3922820              1.0000000        
S   1
  1      0.1318930              1.0000000        
S   1
  1      0.0942520              1.0000000        
P   1
  1    205.3700000              1.0000000        
P   1
  1     92.8968000              1.0000000        
P   1
  1     36.2818000              1.0000000        
P   1
  1     19.9279000              1.0000000        
P   1
  1     11.9966000              1.0000000        
P   1
  1      7.4694000              1.0000000        
P   1
  1      2.5370300              1.0000000        
P   1
  1      1.4506300              1.0000000        
P   1
  1      0.9225910              1.0000000        
P   1
  1      0.3968230              1.0000000        
P   1
  1      0.1775290              1.0000000        
P   1
  1      0.0892860              1.0000000        
D   1
  1    163.9130000              1.0000000        
D   1
  1     32.6176000              1.0000000        
D   1
  1     13.8933000              1.0000000        
D   1
  1      6.4956200              1.0000000        
D   1
  1      3.8555800              1.0000000        
D   1
  1      1.9770400              1.0000000        
D   1
  1      0.9867360              1.0000000        
D   1
  1      0.5116610              1.0000000        
D   1
  1      0.2458970              1.0000000        
D   1
  1      0.1324020              1.0000000        
F   1
  1     67.0993000              1.0000000        
F   1
  1     17.9769000              1.0000000        
F   1
  1     10.9788000              1.0000000        
F   1
  1      4.2432300              1.0000000        
F   1
  1      2.9885000              1.0000000        
F   1
  1      1.3092500              1.0000000        
F   1
  1      0.8353810              1.0000000        
F   1
  1      0.3551460              1.0000000        
F   1
  1      0.2205440              1.0000000        
G   1
  1     43.3517000              1.0000000        
G   1
  1     17.0020000              1.0000000        
G   1
  1      8.1585000              1.0000000        
G   1
  1      3.8289300              1.0000000        
G   1
  1      2.1647500              1.0000000        
G   1
  1      0.9123600              1.0000000        
G   1
  1      0.4617570              1.0000000        
H   1
  1     24.3230000              1.0000000        
H   1
  1     12.4725000              1.0000000        
H   1
  1      5.6219100              1.0000000        
H   1
  1      3.2740900              1.0000000        
H   1
  1      1.5528300              1.0000000        
I   1
  1     15.8182000              1.0000000        
I   1
  1      9.0621700              1.0000000        
I   1
  1      3.8944500              1.0000000        
I   1
  1      2.2147800              1.0000000        
K   1
  1     11.0222000              1.0000000        
K   1
  1      6.0700300              1.0000000        


name: cc-pVQZ-PP
description: N/A
elt: Y
data:
YTTRIUM
S   13
  1   5177.1300000              0.0000060        
  2    803.7880000              0.0000420        
  3    176.8550000              0.0001850        
  4     24.7094000              0.0068560        
  5     15.4311000             -0.0514100        
  6      9.6370600              0.1537220        
  7      3.6556900             -0.3427500        
  8      2.1887900             -0.2814160        
  9      0.9669010              0.4317850        
 10      0.5203350              0.6443500        
 11      0.2687380              0.2560410        
 12      0.0934310              0.0142160        
 13      0.0442780             -0.0008570        
S   13
  1   5177.1300000             -0.0000020        
  2    803.7880000             -0.0000130        
  3    176.8550000             -0.0000630        
  4     24.7094000             -0.0020340        
  5     15.4311000              0.0156890        
  6      9.6370600             -0.0487030        
  7      3.6556900              0.1209540        
  8      2.1887900              0.0857950        
  9      0.9669010             -0.1647410        
 10      0.5203350             -0.3133730        
 11      0.2687380             -0.2505130        
 12      0.0934310              0.3309260        
 13      0.0442780              0.6689400        
S   13
  1   5177.1300000             -0.0000030        
  2    803.7880000             -0.0000340        
  3    176.8550000             -0.0000560        
  4     24.7094000             -0.0065930        
  5     15.4311000              0.0389400        
  6      9.6370600             -0.1029080        
  7      3.6556900              0.2703540        
  8      2.1887900              0.0618350        
  9      0.9669010             -0.1353620        
 10      0.5203350             -1.2866270        
 11      0.2687380              0.5668990        
 12      0.0934310              2.0738270        
 13      0.0442780             -1.1966140        
S   13
  1   5177.1300000             -0.0000040        
  2    803.7880000             -0.0000520        
  3    176.8550000             -0.0000830        
  4     24.7094000             -0.0098760        
  5     15.4311000              0.0577990        
  6      9.6370600             -0.1538970        
  7      3.6556900              0.4217130        
  8      2.1887900              0.1309820        
  9      0.9669010             -0.5555320        
 10      0.5203350             -2.5771630        
 11      0.2687380              4.1711070        
 12      0.0934310             -1.4383750        
 13      0.0442780             -1.6047110        
S   13
  1   5177.1300000             -0.0000120        
  2    803.7880000              0.0000460        
  3    176.8550000             -0.0006750        
  4     24.7094000              0.0212080        
  5     15.4311000             -0.0598710        
  6      9.6370600              0.0151140        
  7      3.6556900             -0.0377770        
  8      2.1887900              1.1622360        
  9      0.9669010             -3.2770720        
 10      0.5203350              1.2701190        
 11      0.2687380              3.1537770        
 12      0.0934310             -6.7129510        
 13      0.0442780              7.3005270        
S   1
  1      0.0205860              1.0000000        
P   10
  1    107.4110000              0.0000910        
  2      7.8253700              0.0412730        
  3      4.8896400             -0.1207510        
  4      2.6346700             -0.0913090        
  5      1.2906400              0.2467110        
  6      0.6865630              0.4542820        
  7      0.3642540              0.3496890        
  8      0.1880790              0.1146010        
  9      0.0906470              0.0109550        
 10      0.0433930              0.0016130        
P   10
  1    107.4110000             -0.0000300        
  2      7.8253700             -0.0128200        
  3      4.8896400              0.0389180        
  4      2.6346700              0.0262170        
  5      1.2906400             -0.0850530        
  6      0.6865630             -0.1644870        
  7      0.3642540             -0.1767940        
  8      0.1880790              0.0390610        
  9      0.0906470              0.4379790        
 10      0.0433930              0.5157770        
P   10
  1    107.4110000             -0.0000650        
  2      7.8253700             -0.0284960        
  3      4.8896400              0.0852470        
  4      2.6346700              0.0687010        
  5      1.2906400             -0.1845780        
  6      0.6865630             -0.6131370        
  7      0.3642540             -0.2279870        
  8      0.1880790              1.3845570        
  9      0.0906470              0.1841280        
 10      0.0433930             -0.8904790        
P   10
  1    107.4110000             -0.0000790        
  2      7.8253700             -0.0378270        
  3      4.8896400              0.1192150        
  4      2.6346700              0.0674820        
  5      1.2906400             -0.2648700        
  6      0.6865630             -1.1887760        
  7      0.3642540              1.3402300        
  8      0.1880790              1.1973990        
  9      0.0906470             -2.3967800        
 10      0.0433930              0.7039560        
P   10
  1    107.4110000             -0.0001660        
  2      7.8253700             -0.0512630        
  3      4.8896400              0.1531410        
  4      2.6346700              0.2656770        
  5      1.2906400             -1.1525810        
  6      0.6865630             -1.1729520        
  7      0.3642540              4.9116730        
  8      0.1880790             -5.0069800        
  9      0.0906470              1.9625810        
 10      0.0433930              0.7231000        
P   1
  1      0.0203400              1.0000000        
D   9
  1     44.4707000              0.0001300        
  2     12.2260000              0.0012450        
  3      5.0145900             -0.0064180        
  4      1.6657600              0.0515240        
  5      0.8894000              0.1608100        
  6      0.4492320              0.2592560        
  7      0.2178540              0.3131190        
  8      0.1023240              0.2970510        
  9      0.0468400              0.1865630        
D   9
  1     44.4707000             -0.0001640        
  2     12.2260000             -0.0014080        
  3      5.0145900              0.0073280        
  4      1.6657600             -0.0672140        
  5      0.8894000             -0.1989690        
  6      0.4492320             -0.3268610        
  7      0.2178540             -0.2274790        
  8      0.1023240              0.2344810        
  9      0.0468400              0.5414920        
D   9
  1     44.4707000              0.0001980        
  2     12.2260000              0.0019390        
  3      5.0145900             -0.0100050        
  4      1.6657600              0.0955710        
  5      0.8894000              0.2915650        
  6      0.4492320              0.4281810        
  7      0.2178540             -0.3428950        
  8      0.1023240             -0.8129610        
  9      0.0468400              0.3614820        
D   9
  1     44.4707000             -0.0003660        
  2     12.2260000             -0.0021570        
  3      5.0145900              0.0129660        
  4      1.6657600             -0.1214120        
  5      0.8894000             -0.6795100        
  6      0.4492320              0.0093200        
  7      0.2178540              1.4118300        
  8      0.1023240             -0.9492730        
  9      0.0468400             -0.5277300        
D   1
  1      0.0205940              1.0000000        
F   1
  1      0.9135000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.0880000              1.0000000        
G   1
  1      0.5819000              1.0000000        
G   1
  1      0.1735000              1.0000000        
H   1
  1      0.3395000              1.0000000        


name: cc-pVQZ-PP
description: N/A
elt: Zr
data:
ZIRCONIUM
S   13
  1   5675.2400000              0.0000060        
  2    863.1340000              0.0000460        
  3    190.3400000              0.0001980        
  4     26.9090000              0.0070570        
  5     16.8039000             -0.0530490        
  6     10.4957000              0.1577920        
  7      3.9316800             -0.3577070        
  8      2.4065300             -0.2830480        
  9      1.0562800              0.4624190        
 10      0.5710270              0.6391000        
 11      0.2958580              0.2418360        
 12      0.1043250              0.0136140        
 13      0.0485630             -0.0007280        
S   13
  1   5675.2400000             -0.0000020        
  2    863.1340000             -0.0000150        
  3    190.3400000             -0.0000680        
  4     26.9090000             -0.0021350        
  5     16.8039000              0.0164650        
  6     10.4957000             -0.0508100        
  7      3.9316800              0.1293950        
  8      2.4065300              0.0858250        
  9      1.0562800             -0.1802650        
 10      0.5710270             -0.3258040        
 11      0.2958580             -0.2273070        
 12      0.1043250              0.3456950        
 13      0.0485630              0.6582420        
S   13
  1   5675.2400000             -0.0000030        
  2    863.1340000             -0.0000400        
  3    190.3400000             -0.0000710        
  4     26.9090000             -0.0072040        
  5     16.8039000              0.0429900        
  6     10.4957000             -0.1141280        
  7      3.9316800              0.3101060        
  8      2.4065300              0.0689160        
  9      1.0562800             -0.2137110        
 10      0.5710270             -1.4303860        
 11      0.2958580              0.8787700        
 12      0.1043250              1.8905350        
 13      0.0485630             -1.2450350        
S   13
  1   5675.2400000             -0.0000060        
  2    863.1340000             -0.0000510        
  3    190.3400000             -0.0001690        
  4     26.9090000             -0.0077740        
  5     16.8039000              0.0527550        
  6     10.4957000             -0.1563380        
  7      3.9316800              0.4515910        
  8      2.4065300              0.2384230        
  9      1.0562800             -1.1251000        
 10      0.5710270             -2.0104270        
 11      0.2958580              4.3180980        
 12      0.1043250             -2.3194350        
 13      0.0485630             -0.6481260        
S   13
  1   5675.2400000             -0.0000160        
  2    863.1340000              0.0000580        
  3    190.3400000             -0.0008910        
  4     26.9090000              0.0273980        
  5     16.8039000             -0.0769940        
  6     10.4957000              0.0179110        
  7      3.9316800             -0.0205690        
  8      2.4065300              1.4847690        
  9      1.0562800             -5.2993640        
 10      0.5710270              5.0797270        
 11      0.2958580             -0.0139520        
 12      0.1043250             -4.7172460        
 13      0.0485630              6.0430530        
S   1
  1      0.0223560              1.0000000        
P   10
  1    122.6140000              0.0000890        
  2      8.6017600              0.0431890        
  3      5.3756700             -0.1256900        
  4      2.8732600             -0.0984530        
  5      1.4314800              0.2616530        
  6      0.7585420              0.4684370        
  7      0.3983330              0.3431180        
  8      0.2005520              0.1015390        
  9      0.0942630              0.0077750        
 10      0.0439730              0.0014680        
P   10
  1    122.6140000             -0.0000290        
  2      8.6017600             -0.0132920        
  3      5.3756700              0.0402610        
  4      2.8732600              0.0278420        
  5      1.4314800             -0.0900280        
  6      0.7585420             -0.1740550        
  7      0.3983330             -0.1576400        
  8      0.2005520              0.0813280        
  9      0.0942630              0.4341340        
 10      0.0439730              0.4929950        
P   10
  1    122.6140000             -0.0000420        
  2      8.6017600             -0.0186700        
  3      5.3756700              0.0562710        
  4      2.8732600              0.0412580        
  5      1.4314800             -0.1303570        
  6      0.7585420             -0.2424890        
  7      0.3983330             -0.2520430        
  8      0.2005520              0.2222450        
  9      0.0942630              0.6873330        
 10      0.0439730              0.2793880        
P   10
  1    122.6140000             -0.0000720        
  2      8.6017600             -0.0353270        
  3      5.3756700              0.1073430        
  4      2.8732600              0.0781030        
  5      1.4314800             -0.2483300        
  6      0.7585420             -0.7742400        
  7      0.3983330              0.1204770        
  8      0.2005520              1.5143590        
  9      0.0942630             -0.4188840        
 10      0.0439730             -0.7176520        
P   10
  1    122.6140000             -0.0001010        
  2      8.6017600             -0.0557630        
  3      5.3756700              0.1714680        
  4      2.8732600              0.1546890        
  5      1.4314800             -0.7228250        
  6      0.7585420             -1.2765790        
  7      0.3983330              2.9768200        
  8      0.2005520             -1.0541120        
  9      0.0942630             -1.4600030        
 10      0.0439730              1.3306580        
P   1
  1      0.0202460              1.0000000        
D   9
  1     48.6431000              0.0001600        
  2     13.5835000              0.0015130        
  3      5.3945300             -0.0091330        
  4      1.8630000              0.0638690        
  5      1.0079200              0.1893790        
  6      0.5198200              0.2877480        
  7      0.2594550              0.3152610        
  8      0.1255900              0.2608760        
  9      0.0589320              0.1415580        
D   9
  1     48.6431000             -0.0001990        
  2     13.5835000             -0.0016270        
  3      5.3945300              0.0100510        
  4      1.8630000             -0.0817780        
  5      1.0079200             -0.2318160        
  6      0.5198200             -0.3431630        
  7      0.2594550             -0.1316050        
  8      0.1255900              0.3309010        
  9      0.0589320              0.5074600        
D   9
  1     48.6431000              0.0003110        
  2     13.5835000              0.0020970        
  3      5.3945300             -0.0135190        
  4      1.8630000              0.1372450        
  5      1.0079200              0.3797260        
  6      0.5198200              0.3322720        
  7      0.2594550             -0.5609850        
  8      0.1255900             -0.6443880        
  9      0.0589320              0.4851650        
D   9
  1     48.6431000             -0.0004680        
  2     13.5835000             -0.0028050        
  3      5.3945300              0.0199580        
  4      1.8630000             -0.2202750        
  5      1.0079200             -0.7531930        
  6      0.5198200              0.4522480        
  7      0.2594550              1.1905720        
  8      0.1255900             -1.2301770        
  9      0.0589320             -0.2159390        
D   1
  1      0.0262290              1.0000000        
F   1
  1      1.3601000              1.0000000        
F   1
  1      0.4291000              1.0000000        
F   1
  1      0.1354000              1.0000000        
G   1
  1      0.8169000              1.0000000        
G   1
  1      0.2490000              1.0000000        
H   1
  1      0.5010000              1.0000000        


name: cc-pVQZ-PP
description: N/A
elt: Nb
data:
NIOBIUM
S   13
  1   5729.3600000              0.0000080        
  2    898.7570000              0.0000520        
  3    203.1540000              0.0002160        
  4     29.0821000              0.0073960        
  5     18.1596000             -0.0552510        
  6     11.3420000              0.1632580        
  7      4.2245400             -0.3721490        
  8      2.6381700             -0.2827570        
  9      1.1509900              0.4840580        
 10      0.6250000              0.6333390        
 11      0.3244810              0.2343950        
 12      0.1141370              0.0132460        
 13      0.0524230             -0.0007750        
S   13
  1   5729.3600000             -0.0000030        
  2    898.7570000             -0.0000170        
  3    203.1540000             -0.0000750        
  4     29.0821000             -0.0022520        
  5     18.1596000              0.0172420        
  6     11.3420000             -0.0528630        
  7      4.2245400              0.1363550        
  8      2.6381700              0.0845410        
  9      1.1509900             -0.1912600        
 10      0.6250000             -0.3296300        
 11      0.3244810             -0.2097360        
 12      0.1141370              0.3537950        
 13      0.0524230              0.6495660        
S   13
  1   5729.3600000             -0.0000040        
  2    898.7570000             -0.0000460        
  3    203.1540000             -0.0000850        
  4     29.0821000             -0.0076920        
  5     18.1596000              0.0460280        
  6     11.3420000             -0.1222600        
  7      4.2245400              0.3382530        
  8      2.6381700              0.0701100        
  9      1.1509900             -0.2716550        
 10      0.6250000             -1.4798190        
 11      0.3244810              1.0436440        
 12      0.1141370              1.7512880        
 13      0.0524230             -1.2255670        
S   13
  1   5729.3600000             -0.0000080        
  2    898.7570000             -0.0000580        
  3    203.1540000             -0.0002260        
  4     29.0821000             -0.0074160        
  5     18.1596000              0.0539120        
  6     11.3420000             -0.1667540        
  7      4.2245400              0.5029010        
  8      2.6381700              0.2662620        
  9      1.1509900             -1.5007590        
 10      0.6250000             -1.5285370        
 11      0.3244810              4.2085080        
 12      0.1141370             -2.6574950        
 13      0.0524230             -0.1836000        
S   13
  1   5729.3600000             -0.0000200        
  2    898.7570000              0.0000500        
  3    203.1540000             -0.0009920        
  4     29.0821000              0.0264760        
  5     18.1596000             -0.0672280        
  6     11.3420000             -0.0180330        
  7      4.2245400              0.1081030        
  8      2.6381700              1.5653000        
  9      1.1509900             -6.7398560        
 10      0.6250000              7.9760920        
 11      0.3244810             -2.5603720        
 12      0.1141370             -2.9311650        
 13      0.0524230              4.7735390        
S   1
  1      0.0239040              1.0000000        
P   10
  1    138.4600000              0.0000870        
  2      9.3123800              0.0460850        
  3      5.8201500             -0.1347720        
  4      3.0589600             -0.1053350        
  5      1.5902700              0.2747760        
  6      0.8361380              0.4792360        
  7      0.4360320              0.3375730        
  8      0.2167160              0.0941580        
  9      0.1018830              0.0062330        
 10      0.0473870              0.0014690        
P   10
  1    138.4600000             -0.0000290        
  2      9.3123800             -0.0143860        
  3      5.8201500              0.0438130        
  4      3.0589600              0.0302870        
  5      1.5902700             -0.0963090        
  6      0.8361380             -0.1837030        
  7      0.4360320             -0.1496950        
  8      0.2167160              0.1031560        
  9      0.1018830              0.4396420        
 10      0.0473870              0.4785870        
P   10
  1    138.4600000             -0.0000430        
  2      9.3123800             -0.0210770        
  3      5.8201500              0.0638960        
  4      3.0589600              0.0466950        
  5      1.5902700             -0.1449560        
  6      0.8361380             -0.2742540        
  7      0.4360320             -0.2375990        
  8      0.2167160              0.2952600        
  9      0.1018830              0.6708660        
 10      0.0473870              0.2356770        
P   10
  1    138.4600000             -0.0000730        
  2      9.3123800             -0.0390570        
  3      5.8201500              0.1198810        
  4      3.0589600              0.0864220        
  5      1.5902700             -0.2891420        
  6      0.8361380             -0.8052000        
  7      0.4360320              0.2953950        
  8      0.2167160              1.4185360        
  9      0.1018830             -0.5209570        
 10      0.0473870             -0.6615440        
P   10
  1    138.4600000             -0.0001020        
  2      9.3123800             -0.0630370        
  3      5.8201500              0.1953600        
  4      3.0589600              0.1871900        
  5      1.5902700             -0.9029120        
  6      0.8361380             -1.0655850        
  7      0.4360320              3.0265000        
  8      0.2167160             -1.4246220        
  9      0.1018830             -1.1257930        
 10      0.0473870              1.2566670        
P   1
  1      0.0217480              1.0000000        
D   9
  1     55.5243000              0.0001800        
  2     15.8430000              0.0015650        
  3      5.7920600             -0.0100360        
  4      2.1776800              0.0585180        
  5      1.2209000              0.1897930        
  6      0.6445770              0.2945090        
  7      0.3278110              0.3174790        
  8      0.1609180              0.2524380        
  9      0.0761310              0.1316200        
D   9
  1     55.5243000             -0.0002210        
  2     15.8430000             -0.0016600        
  3      5.7920600              0.0108870        
  4      2.1776800             -0.0759490        
  5      1.2209000             -0.2327040        
  6      0.6445770             -0.3415990        
  7      0.3278110             -0.1222670        
  8      0.1609180              0.3328420        
  9      0.0761310              0.5027080        
D   9
  1     55.5243000              0.0003560        
  2     15.8430000              0.0023390        
  3      5.7920600             -0.0159450        
  4      2.1776800              0.1419710        
  5      1.2209000              0.4109560        
  6      0.6445770              0.3210380        
  7      0.3278110             -0.5989470        
  8      0.1609180             -0.6084580        
  9      0.0761310              0.4610850        
D   9
  1     55.5243000             -0.0005480        
  2     15.8430000             -0.0030070        
  3      5.7920600              0.0229940        
  4      2.1776800             -0.2487660        
  5      1.2209000             -0.7513270        
  6      0.6445770              0.5055700        
  7      0.3278110              1.1509160        
  8      0.1609180             -1.1909780        
  9      0.0761310             -0.2850970        
D   1
  1      0.0339110              1.0000000        
F   1
  1      1.8010000              1.0000000        
F   1
  1      0.5748000              1.0000000        
F   1
  1      0.1835000              1.0000000        
G   1
  1      1.0578000              1.0000000        
G   1
  1      0.3318000              1.0000000        
H   1
  1      0.6732000              1.0000000        


name: cc-pVQZ-PP
description: N/A
elt: Mo
data:
MOLYBDENUM
S   13
  1   6711.2300000              0.0000080        
  2    988.2620000              0.0000590        
  3    216.2910000              0.0002440        
  4     31.1617000              0.0077510        
  5     19.4654000             -0.0577500        
  6     12.1603000              0.1702780        
  7      4.5171000             -0.3983930        
  8      2.8203200             -0.2761780        
  9      1.2602800              0.5039470        
 10      0.6800130              0.6368170        
 11      0.3514060              0.2246810        
 12      0.1247460              0.0120130        
 13      0.0566870             -0.0007040        
S   13
  1   6711.2300000             -0.0000030        
  2    988.2620000             -0.0000190        
  3    216.2910000             -0.0000840        
  4     31.1617000             -0.0023280        
  5     19.4654000              0.0178340        
  6     12.1603000             -0.0546970        
  7      4.5171000              0.1452280        
  8      2.8203200              0.0805810        
  9      1.2602800             -0.1986470        
 10      0.6800130             -0.3318030        
 11      0.3514060             -0.1945790        
 12      0.1247460              0.3483100        
 13      0.0566870              0.6441110        
S   13
  1   6711.2300000             -0.0000050        
  2    988.2620000             -0.0000490        
  3    216.2910000             -0.0001130        
  4     31.1617000             -0.0076210        
  5     19.4654000              0.0466430        
  6     12.1603000             -0.1260310        
  7      4.5171000              0.3550690        
  8      2.8203200              0.0788460        
  9      1.2602800             -0.3292100        
 10      0.6800130             -1.4622420        
 11      0.3514060              1.1047470        
 12      0.1247460              1.6428490        
 13      0.0566870             -1.1446510        
S   13
  1   6711.2300000             -0.0000090        
  2    988.2620000             -0.0000660        
  3    216.2910000             -0.0002910        
  4     31.1617000             -0.0072570        
  5     19.4654000              0.0559090        
  6     12.1603000             -0.1790880        
  7      4.5171000              0.5626060        
  8      2.8203200              0.2990240        
  9      1.2602800             -1.8724510        
 10      0.6800130             -0.9933480        
 11      0.3514060              3.9567310        
 12      0.1247460             -2.7368330        
 13      0.0566870             -0.0070370        
S   13
  1   6711.2300000             -0.0000180        
  2    988.2620000             -0.0000170        
  3    216.2910000             -0.0008440        
  4     31.1617000              0.0129570        
  5     19.4654000             -0.0099490        
  6     12.1603000             -0.1236980        
  7      4.5171000              0.4468930        
  8      2.8203200              1.4039530        
  9      1.2602800             -7.7842940        
 10      0.6800130             10.2859540        
 11      0.3514060             -4.7884940        
 12      0.1247460             -1.2294860        
 13      0.0566870              3.4559250        
S   1
  1      0.0255690              1.0000000        
P   10
  1    152.9580000              0.0000890        
  2     10.0454000              0.0486580        
  3      6.2786900             -0.1429160        
  4      3.2529000             -0.1119240        
  5      1.7561900              0.2872550        
  6      0.9164400              0.4882670        
  7      0.4752100              0.3325040        
  8      0.2340410              0.0879450        
  9      0.1099870              0.0051370        
 10      0.0509000              0.0014690        
P   10
  1    152.9580000             -0.0000300        
  2     10.0454000             -0.0151180        
  3      6.2786900              0.0462370        
  4      3.2529000              0.0321610        
  5      1.7561900             -0.1003680        
  6      0.9164400             -0.1878280        
  7      0.4752100             -0.1412290        
  8      0.2340410              0.1129270        
  9      0.1099870              0.4365490        
 10      0.0509000              0.4735680        
P   10
  1    152.9580000             -0.0000460        
  2     10.0454000             -0.0234060        
  3      6.2786900              0.0713700        
  4      3.2529000              0.0523310        
  5      1.7561900             -0.1606860        
  6      0.9164400             -0.3056960        
  7      0.4752100             -0.2096950        
  8      0.2340410              0.3498440        
  9      0.1099870              0.6427110        
 10      0.0509000              0.2113020        
P   10
  1    152.9580000             -0.0000820        
  2     10.0454000             -0.0425660        
  3      6.2786900              0.1316610        
  4      3.2529000              0.1041920        
  5      1.7561900             -0.3540870        
  6      0.9164400             -0.8231200        
  7      0.4752100              0.4691120        
  8      0.2340410              1.3060670        
  9      0.1099870             -0.6005210        
 10      0.0509000             -0.6033790        
P   10
  1    152.9580000             -0.0001570        
  2     10.0454000             -0.0617300        
  3      6.2786900              0.1912730        
  4      3.2529000              0.3034920        
  5      1.7561900             -1.2601600        
  6      0.9164400             -0.6601690        
  7      0.4752100              2.9941100        
  8      0.2340410             -1.8628630        
  9      0.1099870             -0.6548950        
 10      0.0509000              1.0766410        
P   1
  1      0.0231980              1.0000000        
D   9
  1     64.0194000              0.0001670        
  2     17.5538000              0.0016530        
  3      6.5001600             -0.0132930        
  4      2.4048200              0.0670070        
  5      1.3421000              0.2091290        
  6      0.7078230              0.3096950        
  7      0.3603360              0.3139960        
  8      0.1770770              0.2323510        
  9      0.0836650              0.1119340        
D   9
  1     64.0194000             -0.0001970        
  2     17.5538000             -0.0017110        
  3      6.5001600              0.0142690        
  4      2.4048200             -0.0826730        
  5      1.3421000             -0.2573070        
  6      0.7078230             -0.3434210        
  7      0.3603360             -0.0548000        
  8      0.1770770              0.3765310        
  9      0.0836650              0.4797980        
D   9
  1     64.0194000              0.0003680        
  2     17.5538000              0.0022850        
  3      6.5001600             -0.0210710        
  4      2.4048200              0.1657440        
  5      1.3421000              0.4848470        
  6      0.7078230              0.2113940        
  7      0.3603360             -0.7066180        
  8      0.1770770             -0.4649570        
  9      0.0836650              0.5321680        
D   9
  1     64.0194000             -0.0003500        
  2     17.5538000             -0.0041070        
  3      6.5001600              0.0359670        
  4      2.4048200             -0.2938650        
  5      1.3421000             -0.8126500        
  6      0.7078230              0.8503400        
  7      0.3603360              0.8690250        
  8      0.1770770             -1.3237980        
  9      0.0836650              0.0049480        
D   1
  1      0.0370260              1.0000000        
F   1
  1      2.1810000              1.0000000        
F   1
  1      0.7026000              1.0000000        
F   1
  1      0.2263000              1.0000000        
G   1
  1      1.2568000              1.0000000        
G   1
  1      0.4007000              1.0000000        
H   1
  1      0.8384000              1.0000000        


name: cc-pVQZ-PP
description: N/A
elt: Tc
data:
TECHNETIUM
S   13
  1   7011.0800000              0.0000090        
  2   1046.1000000              0.0000670        
  3    230.4930000              0.0002740        
  4     33.3218000              0.0082370        
  5     20.8105000             -0.0606330        
  6     12.9975000              0.1778160        
  7      4.8305100             -0.4220620        
  8      3.0155200             -0.2693360        
  9      1.3706200              0.5218430        
 10      0.7358360              0.6380050        
 11      0.3788160              0.2160910        
 12      0.1335490              0.0112120        
 13      0.0601560             -0.0003020        
S   13
  1   7011.0800000             -0.0000030        
  2   1046.1000000             -0.0000220        
  3    230.4930000             -0.0000930        
  4     33.3218000             -0.0024160        
  5     20.8105000              0.0183200        
  6     12.9975000             -0.0560010        
  7      4.8305100              0.1511880        
  8      3.0155200              0.0755970        
  9      1.3706200             -0.2027390        
 10      0.7358360             -0.3248550        
 11      0.3788160             -0.1823170        
 12      0.1335490              0.3372970        
 13      0.0601560              0.6378330        
S   13
  1   7011.0800000             -0.0000060        
  2   1046.1000000             -0.0000540        
  3    230.4930000             -0.0001390        
  4     33.3218000             -0.0077180        
  5     20.8105000              0.0477700        
  6     12.9975000             -0.1303120        
  7      4.8305100              0.3691480        
  8      3.0155200              0.0873940        
  9      1.3706200             -0.3819580        
 10      0.7358360             -1.4316690        
 11      0.3788160              1.1436500        
 12      0.1335490              1.5516400        
 13      0.0601560             -1.0701580        
S   13
  1   7011.0800000             -0.0000110        
  2   1046.1000000             -0.0000760        
  3    230.4930000             -0.0003310        
  4     33.3218000             -0.0077450        
  5     20.8105000              0.0590240        
  6     12.9975000             -0.1882670        
  7      4.8305100              0.5902840        
  8      3.0155200              0.3330380        
  9      1.3706200             -2.0874360        
 10      0.7358360             -0.6503990        
 11      0.3788160              3.7087420        
 12      0.1335490             -2.6700620        
 13      0.0601560              0.0200220        
S   13
  1   7011.0800000             -0.0000160        
  2   1046.1000000             -0.0001130        
  3    230.4930000             -0.0005110        
  4     33.3218000             -0.0109830        
  5     20.8105000              0.0864930        
  6     12.9975000             -0.2861790        
  7      4.8305100              1.0012380        
  8      3.0155200              0.7225520        
  9      1.3706200             -7.6503270        
 10      0.7358360             10.7993970        
 11      0.3788160             -5.5917980        
 12      0.1335490             -0.4226910        
 13      0.0601560              2.7545010        
S   1
  1      0.0269230              1.0000000        
P   10
  1    165.0311000              0.0000940        
  2     10.7957000              0.0509640        
  3      6.7484100             -0.1500490        
  4      3.4824900             -0.1153530        
  5      1.9185300              0.2970100        
  6      1.0018800              0.4901870        
  7      0.5221550              0.3265400        
  8      0.2608820              0.0873840        
  9      0.1212740              0.0060650        
 10      0.0554020              0.0011260        
P   10
  1    165.0311000             -0.0000310        
  2     10.7957000             -0.0155010        
  3      6.7484100              0.0475240        
  4      3.4824900              0.0326450        
  5      1.9185300             -0.1022890        
  6      1.0018800             -0.1840740        
  7      0.5221550             -0.1346980        
  8      0.2608820              0.1036920        
  9      0.1212740              0.4224280        
 10      0.0554020              0.4828080        
P   10
  1    165.0311000             -0.0000510        
  2     10.7957000             -0.0254430        
  3      6.7484100              0.0778710        
  4      3.4824900              0.0573030        
  5      1.9185300             -0.1772360        
  6      1.0018800             -0.3257380        
  7      0.5221550             -0.1883490        
  8      0.2608820              0.3694040        
  9      0.1212740              0.6276010        
 10      0.0554020              0.2078840        
P   10
  1    165.0311000             -0.0000970        
  2     10.7957000             -0.0448590        
  3      6.7484100              0.1386420        
  4      3.4824900              0.1301660        
  5      1.9185300             -0.4343680        
  6      1.0018800             -0.7982230        
  7      0.5221550              0.5413080        
  8      0.2608820              1.2254840        
  9      0.1212740             -0.5919300        
 10      0.0554020             -0.5926290        
P   10
  1    165.0311000             -0.0002000        
  2     10.7957000             -0.0617730        
  3      6.7484100              0.1884450        
  4      3.4824900              0.4209310        
  5      1.9185300             -1.6231020        
  6      1.0018800             -0.2356560        
  7      0.5221550              2.8630840        
  8      0.2608820             -2.0324030        
  9      0.1212740             -0.4381220        
 10      0.0554020              0.9624810        
P   1
  1      0.0248480              1.0000000        
D   9
  1     71.1813000              0.0001750        
  2     19.5319000              0.0017220        
  3      7.2374300             -0.0138320        
  4      2.6113400              0.0740660        
  5      1.4773400              0.2185740        
  6      0.7880050              0.3134600        
  7      0.4049350              0.3079090        
  8      0.2003640              0.2213540        
  9      0.0949110              0.1051100        
D   9
  1     71.1813000             -0.0001940        
  2     19.5319000             -0.0017430        
  3      7.2374300              0.0144030        
  4      2.6113400             -0.0844590        
  5      1.4773400             -0.2669030        
  6      0.7880050             -0.3360340        
  7      0.4049350             -0.0315050        
  8      0.2003640              0.3870680        
  9      0.0949110              0.4744620        
D   9
  1     71.1813000              0.0003950        
  2     19.5319000              0.0025090        
  3      7.2374300             -0.0230280        
  4      2.6113400              0.1928110        
  5      1.4773400              0.5425200        
  6      0.7880050              0.1303490        
  7      0.4049350             -0.7811880        
  8      0.2003640             -0.3613460        
  9      0.0949110              0.5512450        
D   9
  1     71.1813000             -0.0002340        
  2     19.5319000             -0.0055190        
  3      7.2374300              0.0446410        
  4      2.6113400             -0.3882320        
  5      1.4773400             -0.8042540        
  6      0.7880050              1.1596620        
  7      0.4049350              0.5374260        
  8      0.2003640             -1.3024870        
  9      0.0949110              0.1537280        
D   1
  1      0.0419450              1.0000000        
F   1
  1      2.5389000              1.0000000        
F   1
  1      0.8280000              1.0000000        
F   1
  1      0.2700000              1.0000000        
G   1
  1      1.4683000              1.0000000        
G   1
  1      0.4823000              1.0000000        
H   1
  1      0.9932000              1.0000000        


name: cc-pVQZ-PP
description: N/A
elt: Ru
data:
RUTHENIUM
S   13
  1   7269.8900000              0.0000110        
  2   1087.8400000              0.0000780        
  3    241.7870000              0.0003110        
  4     35.4525000              0.0087340        
  5     22.1415000             -0.0636040        
  6     13.8292000              0.1857150        
  7      5.1321300             -0.4544900        
  8      3.1705900             -0.2563420        
  9      1.4948700              0.5330450        
 10      0.8005300              0.6399720        
 11      0.4116380              0.2152730        
 12      0.1424170              0.0112610        
 13      0.0635630             -0.0000950        
S   13
  1   7269.8900000             -0.0000040        
  2   1087.8400000             -0.0000250        
  3    241.7870000             -0.0001060        
  4     35.4525000             -0.0024970        
  5     22.1415000              0.0188420        
  6     13.8292000             -0.0575810        
  7      5.1321300              0.1604580        
  8      3.1705900              0.0691260        
  9      1.4948700             -0.2039790        
 10      0.8005300             -0.3204980        
 11      0.4116380             -0.1746560        
 12      0.1424170              0.3326960        
 13      0.0635630              0.6303210        
S   13
  1   7269.8900000             -0.0000070        
  2   1087.8400000             -0.0000650        
  3    241.7870000             -0.0001740        
  4     35.4525000             -0.0083680        
  5     22.1415000              0.0517850        
  6     13.8292000             -0.1417710        
  7      5.1321300              0.4144270        
  8      3.1705900              0.0784730        
  9      1.4948700             -0.4446880        
 10      0.8005300             -1.4550350        
 11      0.4116380              1.2722320        
 12      0.1424170              1.4072450        
 13      0.0635630             -0.9996440        
S   13
  1   7269.8900000             -0.0000120        
  2   1087.8400000             -0.0000840        
  3    241.7870000             -0.0003620        
  4     35.4525000             -0.0076580        
  5     22.1415000              0.0584390        
  6     13.8292000             -0.1862370        
  7      5.1321300              0.5749660        
  8      3.1705900              0.4015520        
  9      1.4948700             -2.1997860        
 10      0.8005300             -0.4355220        
 11      0.4116380              3.4276070        
 12      0.1424170             -2.4454790        
 13      0.0635630             -0.1499430        
S   13
  1   7269.8900000             -0.0000160        
  2   1087.8400000             -0.0001810        
  3    241.7870000             -0.0003320        
  4     35.4525000             -0.0254290        
  5     22.1415000              0.1443970        
  6     13.8292000             -0.3836440        
  7      5.1321300              1.3902860        
  8      3.1705900              0.1271540        
  9      1.4948700             -6.8551520        
 10      0.8005300              9.6961050        
 11      0.4116380             -4.7399940        
 12      0.1424170             -0.9214660        
 13      0.0635630              3.0543570        
S   1
  1      0.0282960              1.0000000        
P   10
  1    174.3070000              0.0001030        
  2     11.5040000              0.0539940        
  3      7.1917600             -0.1610120        
  4      3.5749800             -0.1290380        
  5      2.1307800              0.3147630        
  6      1.0892200              0.5041410        
  7      0.5586370              0.3252710        
  8      0.2704770              0.0787020        
  9      0.1238960              0.0037630        
 10      0.0558230              0.0012860        
P   10
  1    174.3070000             -0.0000330        
  2     11.5040000             -0.0157130        
  3      7.1917600              0.0487720        
  4      3.5749800              0.0351930        
  5      2.1307800             -0.1032230        
  6      1.0892200             -0.1811150        
  7      0.5586370             -0.1243880        
  8      0.2704770              0.1120280        
  9      0.1238960              0.4225110        
 10      0.0558230              0.4772310        
P   10
  1    174.3070000             -0.0000610        
  2     11.5040000             -0.0287850        
  3      7.1917600              0.0893050        
  4      3.5749800              0.0707170        
  5      2.1307800             -0.2047470        
  6      1.0892200             -0.3715110        
  7      0.5586370             -0.1436350        
  8      0.2704770              0.4622210        
  9      0.1238960              0.5855810        
 10      0.0558230              0.1507490        
P   10
  1    174.3070000              0.0001120        
  2     11.5040000              0.0492620        
  3      7.1917600             -0.1538200        
  4      3.5749800             -0.1731520        
  5      2.1307800              0.5309750        
  6      1.0892200              0.8176260        
  7      0.5586370             -0.7867320        
  8      0.2704770             -1.0474860        
  9      0.1238960              0.7549080        
 10      0.0558230              0.4632510        
P   10
  1    174.3070000             -0.0002500        
  2     11.5040000             -0.0629920        
  3      7.1917600              0.1916210        
  4      3.5749800              0.6528290        
  5      2.1307800             -2.1533740        
  6      1.0892200              0.4094420        
  7      0.5586370              2.4570950        
  8      0.2704770             -2.2868480        
  9      0.1238960              0.0777690        
 10      0.0558230              0.7656040        
P   1
  1      0.0248420              1.0000000        
D   9
  1     75.3751000              0.0001800        
  2     19.8901000              0.0020840        
  3      7.8792400             -0.0186710        
  4      2.9083400              0.0780540        
  5      1.6388300              0.2263280        
  6      0.8757300              0.3171000        
  7      0.4504830              0.3050360        
  8      0.2227700              0.2151500        
  9      0.1053420              0.0997580        
D   9
  1     75.3751000             -0.0002030        
  2     19.8901000             -0.0020860        
  3      7.8792400              0.0194280        
  4      2.9083400             -0.0871060        
  5      1.6388300             -0.2864130        
  6      0.8757300             -0.3319080        
  7      0.4504830             -0.0021210        
  8      0.2227700              0.4023550        
  9      0.1053420              0.4543320        
D   9
  1     75.3751000             -0.0003550        
  2     19.8901000             -0.0031930        
  3      7.8792400              0.0319560        
  4      2.9083400             -0.1855990        
  5      1.6388300             -0.5831850        
  6      0.8757300             -0.0727660        
  7      0.4504830              0.7987070        
  8      0.2227700              0.3016360        
  9      0.1053420             -0.5409680        
D   9
  1     75.3751000             -0.0001820        
  2     19.8901000             -0.0072830        
  3      7.8792400              0.0616630        
  4      2.9083400             -0.4441680        
  5      1.6388300             -0.7998390        
  6      0.8757300              1.3061620        
  7      0.4504830              0.3470880        
  8      0.2227700             -1.2223020        
  9      0.1053420              0.1744000        
D   1
  1      0.0464550              1.0000000        
F   1
  1      2.8980000              1.0000000        
F   1
  1      0.9588000              1.0000000        
F   1
  1      0.3172000              1.0000000        
G   1
  1      1.7100000              1.0000000        
G   1
  1      0.5778000              1.0000000        
H   1
  1      1.1646000              1.0000000        


name: cc-pVQZ-PP
description: N/A
elt: Rh
data:
RHODIUM
S   13
  1   7374.2200000              0.0000130        
  2   1114.7200000              0.0000920        
  3    249.9380000              0.0003570        
  4     37.5315000              0.0091740        
  5     23.4385000             -0.0666920        
  6     14.6379000              0.1956740        
  7      5.5542100             -0.4574820        
  8      3.4224200             -0.2746970        
  9      1.6492800              0.5224540        
 10      0.8832260              0.6524920        
 11      0.4519700              0.2257080        
 12      0.1530060              0.0117950        
 13      0.0678490             -0.0001350        
S   13
  1   7374.2200000             -0.0000040        
  2   1114.7200000             -0.0000290        
  3    249.9380000             -0.0001190        
  4     37.5315000             -0.0025760        
  5     23.4385000              0.0194110        
  6     14.6379000             -0.0596780        
  7      5.5542100              0.1589680        
  8      3.4224200              0.0738260        
  9      1.6492800             -0.1968910        
 10      0.8832260             -0.3141660        
 11      0.4519700             -0.1768790        
 12      0.1530060              0.3157110        
 13      0.0678490              0.6247220        
S   13
  1   7374.2200000             -0.0000090        
  2   1114.7200000             -0.0000760        
  3    249.9380000             -0.0002050        
  4     37.5315000             -0.0086430        
  5     23.4385000              0.0537070        
  6     14.6379000             -0.1483390        
  7      5.5542100              0.4122880        
  8      3.4224200              0.1007430        
  9      1.6492800             -0.4427320        
 10      0.8832260             -1.4323570        
 11      0.4519700              1.2199820        
 12      0.1530060              1.3428560        
 13      0.0678490             -0.8361540        
S   13
  1   7374.2200000             -0.0000140        
  2   1114.7200000             -0.0000950        
  3    249.9380000             -0.0003820        
  4     37.5315000             -0.0080940        
  5     23.4385000              0.0598120        
  6     14.6379000             -0.1876680        
  7      5.5542100              0.5255080        
  8      3.4224200              0.4667230        
  9      1.6492800             -2.0232050        
 10      0.8832260             -0.6914780        
 11      0.4519700              3.3320100        
 12      0.1530060             -1.9922090        
 13      0.0678490             -0.6067250        
S   13
  1   7374.2200000             -0.0000200        
  2   1114.7200000             -0.0002080        
  3    249.9380000             -0.0003950        
  4     37.5315000             -0.0264950        
  5     23.4385000              0.1507880        
  6     14.6379000             -0.4024970        
  7      5.5542100              1.3689580        
  8      3.4224200              0.2373890        
  9      1.6492800             -6.6015610        
 10      0.8832260              8.6166140        
 11      0.4519700             -3.5310110        
 12      0.1530060             -1.7537080        
 13      0.0678490              3.5259850        
S   1
  1      0.0299320              1.0000000        
P   10
  1    186.8620000              0.0001090        
  2     12.3059000              0.0560310        
  3      7.6935800             -0.1675940        
  4      3.7795600             -0.1363730        
  5      2.3232600              0.3251810        
  6      1.1847300              0.5055390        
  7      0.6092370              0.3232040        
  8      0.2968270              0.0788210        
  9      0.1372710              0.0040650        
 10      0.0621260              0.0012500        
P   10
  1    186.8620000             -0.0000350        
  2     12.3059000             -0.0167420        
  3      7.6935800              0.0520850        
  4      3.7795600              0.0385720        
  5      2.3232600             -0.1095340        
  6      1.1847300             -0.1882860        
  7      0.6092370             -0.1245600        
  8      0.2968270              0.1171100        
  9      0.1372710              0.4230670        
 10      0.0621260              0.4736850        
P   10
  1    186.8620000             -0.0000680        
  2     12.3059000             -0.0314700        
  3      7.6935800              0.0979240        
  4      3.7795600              0.0812320        
  5      2.3232600             -0.2287880        
  6      1.1847300             -0.4007930        
  7      0.6092370             -0.1097740        
  8      0.2968270              0.4791740        
  9      0.1372710              0.5581190        
 10      0.0621260              0.1517420        
P   10
  1    186.8620000              0.0001220        
  2     12.3059000              0.0521280        
  3      7.6935800             -0.1624920        
  4      3.7795600             -0.2125080        
  5      2.3232600              0.6239090        
  6      1.1847300              0.7831600        
  7      0.6092370             -0.8575390        
  8      0.2968270             -0.9666410        
  9      0.1372710              0.7421150        
 10      0.0621260              0.4634940        
P   10
  1    186.8620000              0.0002540        
  2     12.3059000              0.0713490        
  3      7.6935800             -0.2177380        
  4      3.7795600             -0.7639570        
  5      2.3232600              2.4866360        
  6      1.1847300             -0.8314040        
  7      0.6092370             -2.1695430        
  8      0.2968270              2.2490950        
  9      0.1372710             -0.1275420        
 10      0.0621260             -0.7284670        
P   1
  1      0.0276060              1.0000000        
D   9
  1     80.6204000              0.0002370        
  2     22.1259000              0.0022370        
  3      7.9583400             -0.0176500        
  4      3.1956900              0.0788370        
  5      1.8113700              0.2317500        
  6      0.9713830              0.3192230        
  7      0.5017970              0.3020620        
  8      0.2490680              0.2104350        
  9      0.1179700              0.0966100        
D   9
  1     80.6204000             -0.0002760        
  2     22.1259000             -0.0023470        
  3      7.9583400              0.0190780        
  4      3.1956900             -0.0936260        
  5      1.8113700             -0.3085340        
  6      0.9713830             -0.3262390        
  7      0.5017970              0.0310980        
  8      0.2490680              0.4099490        
  9      0.1179700              0.4368930        
D   9
  1     80.6204000             -0.0004280        
  2     22.1259000             -0.0036360        
  3      7.9583400              0.0308490        
  4      3.1956900             -0.1829010        
  5      1.8113700             -0.6144640        
  6      0.9713830             -0.0158290        
  7      0.5017970              0.8110440        
  8      0.2490680              0.2541130        
  9      0.1179700             -0.5519210        
D   9
  1     80.6204000             -0.0002410        
  2     22.1259000             -0.0084470        
  3      7.9583400              0.0698380        
  4      3.1956900             -0.5173290        
  5      1.8113700             -0.7709280        
  6      0.9713830              1.4511960        
  7      0.5017970              0.1698730        
  8      0.2490680             -1.1898870        
  9      0.1179700              0.2468430        
D   1
  1      0.0519500              1.0000000        
F   1
  1      3.3131000              1.0000000        
F   1
  1      1.1058000              1.0000000        
F   1
  1      0.3691000              1.0000000        
G   1
  1      1.9565000              1.0000000        
G   1
  1      0.6740000              1.0000000        
H   1
  1      1.3436000              1.0000000        


name: cc-pVQZ-PP
description: N/A
elt: Pd
data:
PALLADIUM
S   13
  1   7844.8900000              0.0000150        
  2   1169.5300000              0.0001070        
  3    259.6440000              0.0004120        
  4     39.2211000              0.0098640        
  5     24.4934000             -0.0719220        
  6     15.2969000              0.2128330        
  7      6.0389600             -0.4542200        
  8      3.7622800             -0.2996210        
  9      1.8071000              0.5046120        
 10      0.9743050              0.6622770        
 11      0.4972030              0.2406810        
 12      0.1620200              0.0126460        
 13      0.0714600             -0.0004720        
S   13
  1   7844.8900000             -0.0000050        
  2   1169.5300000             -0.0000330        
  3    259.6440000             -0.0001350        
  4     39.2211000             -0.0027160        
  5     24.4934000              0.0205170        
  6     15.2969000             -0.0636890        
  7      6.0389600              0.1551180        
  8      3.7622800              0.0800520        
  9      1.8071000             -0.1865700        
 10      0.9743050             -0.3054990        
 11      0.4972030             -0.1813090        
 12      0.1620200              0.3039740        
 13      0.0714600              0.6177640        
S   13
  1   7844.8900000             -0.0000100        
  2   1169.5300000             -0.0000840        
  3    259.6440000             -0.0002300        
  4     39.2211000             -0.0090740        
  5     24.4934000              0.0563390        
  6     15.2969000             -0.1563130        
  7      6.0389600              0.3943670        
  8      3.7622800              0.1184910        
  9      1.8071000             -0.3911140        
 10      0.9743050             -1.3967980        
 11      0.4972030              1.1011240        
 12      0.1620200              1.3128540        
 13      0.0714600             -0.6576300        
S   13
  1   7844.8900000              0.0000020        
  2   1169.5300000              0.0000150        
  3    259.6440000              0.0000580        
  4     39.2211000              0.0012900        
  5     24.4934000             -0.0092020        
  6     15.2969000              0.0283700        
  7      6.0389600             -0.0690030        
  8      3.7622800             -0.0717590        
  9      1.8071000              0.2549580        
 10      0.9743050              0.1451930        
 11      0.4972030             -0.4647570        
 12      0.1620200              0.2244370        
 13      0.0714600              0.1291750        
S   13
  1   7844.8900000             -0.0000150        
  2   1169.5300000             -0.0001090        
  3    259.6440000             -0.0004080        
  4     39.2211000             -0.0090780        
  5     24.4934000              0.0648030        
  6     15.2969000             -0.1999130        
  7      6.0389600              0.4866890        
  8      3.7622800              0.5061480        
  9      1.8071000             -1.8058520        
 10      0.9743050             -1.0058890        
 11      0.4972030              3.2670160        
 12      0.1620200             -1.5764190        
 13      0.0714600             -0.9382990        
S   1
  1      0.0313100              1.0000000        
P   10
  1     98.8243000              0.0003180        
  2     27.9859000             -0.0046710        
  3     17.4873000              0.0292410        
  4      6.7863800             -0.1992820        
  5      1.9878800              0.4101390        
  6      1.0657300              0.4471440        
  7      0.5838290              0.2362210        
  8      0.3146360              0.0624690        
  9      0.1357370              0.0060750        
 10      0.0602770             -0.0000850        
P   10
  1     98.8243000             -0.0000510        
  2     27.9859000              0.0006780        
  3     17.4873000             -0.0066790        
  4      6.7863800              0.0544150        
  5      1.9878800             -0.1382020        
  6      1.0657300             -0.1410000        
  7      0.5838290             -0.1010710        
  8      0.3146360              0.1265930        
  9      0.1357370              0.4211200        
 10      0.0602770              0.4722370        
P   10
  1     98.8243000             -0.0001660        
  2     27.9859000              0.0022660        
  3     17.4873000             -0.0161180        
  4      6.7863800              0.1219530        
  5      1.9878800             -0.3403790        
  6      1.0657300             -0.3281810        
  7      0.5838290             -0.0330520        
  8      0.3146360              0.5487950        
  9      0.1357370              0.5332220        
 10      0.0602770              0.0994340        
P   10
  1     98.8243000              0.0004190        
  2     27.9859000             -0.0058840        
  3     17.4873000              0.0317000        
  4      6.7863800             -0.2240400        
  5      1.9878800              0.8656960        
  6      1.0657300              0.3452800        
  7      0.5838290             -0.9931720        
  8      0.3146360             -0.6775520        
  9      0.1357370              0.7731840        
 10      0.0602770              0.3765310        
P   10
  1     98.8243000              0.0000090        
  2     27.9859000             -0.0013240        
  3     17.4873000              0.0372040        
  4      6.7863800             -0.3882460        
  5      1.9878800              2.6384130        
  6      1.0657300             -2.7457290        
  7      0.5838290             -0.6384020        
  8      0.3146360              1.9045610        
  9      0.1357370             -0.1954810        
 10      0.0602770             -0.6798620        
P   1
  1      0.0265400              1.0000000        
D   9
  1     78.3406000              0.0003190        
  2     21.0235000              0.0031690        
  3      7.5187300             -0.0301280        
  4      3.6893300              0.0820580        
  5      2.0193400              0.2405330        
  6      1.0717600              0.3254140        
  7      0.5516620              0.3009480        
  8      0.2739330              0.2050090        
  9      0.1301110              0.0921770        
D   9
  1     78.3406000             -0.0003900        
  2     21.0235000             -0.0033600        
  3      7.5187300              0.0334560        
  4      3.6893300             -0.0998880        
  5      2.0193400             -0.3344540        
  6      1.0717600             -0.3267360        
  7      0.5516620              0.0663700        
  8      0.2739330              0.4205140        
  9      0.1301110              0.4170070        
D   9
  1     78.3406000             -0.0005710        
  2     21.0235000             -0.0049650        
  3      7.5187300              0.0523140        
  4      3.6893300             -0.1757260        
  5      2.0193400             -0.6558300        
  6      1.0717600              0.0297190        
  7      0.5516620              0.8321610        
  8      0.2739330              0.1960240        
  9      0.1301110             -0.5651970        
D   9
  1     78.3406000             -0.0004130        
  2     21.0235000             -0.0116470        
  3      7.5187300              0.1255530        
  4      3.6893300             -0.5684920        
  5      2.0193400             -0.7972550        
  6      1.0717600              1.5702270        
  7      0.5516620              0.0164980        
  8      0.2739330             -1.1631360        
  9      0.1301110              0.3227120        
D   1
  1      0.0574730              1.0000000        
F   1
  1      3.7196000              1.0000000        
F   1
  1      1.2537000              1.0000000        
F   1
  1      0.4226000              1.0000000        
G   1
  1      2.2230000              1.0000000        
G   1
  1      0.7801000              1.0000000        
H   1
  1      1.5307000              1.0000000        


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


name: cc-pVQZ-PP-new
description: N/A
elt: I
data:
IODINE
S   10
  1      1.690000E+04           4.000000E-05     
  2      2.541390E+03           2.940000E-04     
  3      5.744130E+02           1.214000E-03     
  4      1.509450E+02           2.596000E-03     
  5      2.916310E+01          -5.362300E-02     
  6      1.821960E+01           3.439170E-01     
  7      1.133650E+01          -3.674270E-01     
  8      6.924080E+00          -5.389040E-01     
  9      2.509810E+00           7.095670E-01     
 10      1.351130E+00           6.280610E-01     
S   10
  1      1.690000E+04           1.900000E-05     
  2      2.541390E+03           1.420000E-04     
  3      5.744130E+02           5.920000E-04     
  4      1.509450E+02           1.243000E-03     
  5      2.916310E+01          -2.272100E-02     
  6      1.821960E+01           1.577080E-01     
  7      1.133650E+01          -2.000920E-01     
  8      6.924080E+00          -2.161520E-01     
  9      2.509810E+00           4.134390E-01     
 10      1.351130E+00           5.345850E-01     
S   1
  1      6.163790E-01           1.0000000        
S   1
  1      3.834550E-01           1.0000000        
S   1
  1      1.800560E-01           1.0000000        
S   1
  1      8.232700E-02           1.0000000        
P   7
  1      6.491590E+02           9.500000E-05     
  2      1.480870E+02           6.290000E-04     
  3      2.010180E+01           4.532400E-02     
  4      1.044660E+01          -2.302310E-01     
  5      6.358830E+00          -4.960000E-03     
  6      3.048460E+00           5.139270E-01     
  7      1.559500E+00           5.060930E-01     
P   7
  1      6.491590E+02          -3.200000E-05     
  2      1.480870E+02          -2.530000E-04     
  3      2.010180E+01          -1.609800E-02     
  4      1.044660E+01           8.991000E-02     
  5      6.358830E+00          -1.565500E-02     
  6      3.048460E+00          -2.077830E-01     
  7      1.559500E+00          -2.480810E-01     
P   1
  1      7.689110E-01           1.0000000        
P   1
  1      3.548140E-01           1.0000000        
P   1
  1      1.547660E-01           1.0000000        
P   1
  1      6.469900E-02           1.0000000        
D   9
  1      5.854450E+02           2.500000E-05     
  2      1.774680E+02           2.310000E-04     
  3      6.921930E+01           1.173000E-03     
  4      2.863920E+01           5.584000E-03     
  5      1.271530E+01          -2.383000E-02     
  6      5.479270E+00           1.168140E-01     
  7      3.354930E+00           2.727310E-01     
  8      1.984230E+00           3.401740E-01     
  9      1.152540E+00           2.686990E-01     
D   1
  1      6.510170E-01           1.0000000        
D   1
  1      3.474450E-01           1.0000000        
D   1
  1      1.547000E-01           1.0000000        
F   1
  1      5.865000E-01           1.0000000        
F   1
  1      2.494000E-01           1.0000000        
G   1
  1      4.730000E-01           1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Y
data:
YTTRIUM
S   1
  1     13.8860913              1.0000000        
S   1
  1      8.8708082              1.0000000        
S   1
  1      4.7868560              1.0000000        
S   1
  1      2.7080087              1.0000000        
S   1
  1      1.7230975              1.0000000        
S   1
  1      0.6175293              1.0000000        
S   1
  1      0.4547307              1.0000000        
S   1
  1      0.2920906              1.0000000        
S   1
  1      0.1336359              1.0000000        
S   1
  1      0.0439599              1.0000000        
S   1
  1      0.0295921              1.0000000        
P   1
  1     14.2849623              1.0000000        
P   1
  1      7.1131803              1.0000000        
P   1
  1      4.1165541              1.0000000        
P   1
  1      2.0715961              1.0000000        
P   1
  1      1.2534289              1.0000000        
P   1
  1      0.7505372              1.0000000        
P   1
  1      0.4370145              1.0000000        
P   1
  1      0.2717471              1.0000000        
P   1
  1      0.1185876              1.0000000        
P   1
  1      0.0558515              1.0000000        
P   1
  1      0.0261885              1.0000000        
D   1
  1     14.8568224              1.0000000        
D   1
  1      7.7549153              1.0000000        
D   1
  1      4.6098261              1.0000000        
D   1
  1      2.0845913              1.0000000        
D   1
  1      1.2048306              1.0000000        
D   1
  1      0.7485512              1.0000000        
D   1
  1      0.4300085              1.0000000        
D   1
  1      0.2084073              1.0000000        
D   1
  1      0.1025850              1.0000000        
D   1
  1      0.0559943              1.0000000        
F   1
  1      8.9435402              1.0000000        
F   1
  1      4.9728845              1.0000000        
F   1
  1      2.5647289              1.0000000        
F   1
  1      1.4292377              1.0000000        
F   1
  1      0.8059563              1.0000000        
F   1
  1      0.4483280              1.0000000        
F   1
  1      0.2578764              1.0000000        
F   1
  1      0.1418644              1.0000000        
G   1
  1     15.9784349              1.0000000        
G   1
  1      4.7196975              1.0000000        
G   1
  1      1.6382737              1.0000000        
G   1
  1      0.9724061              1.0000000        
G   1
  1      0.5567233              1.0000000        
G   1
  1      0.2674616              1.0000000        
G   1
  1      0.1820120              1.0000000        
H   1
  1      5.5917526              1.0000000        
H   1
  1      1.4344249              1.0000000        
H   1
  1      0.8902350              1.0000000        
H   1
  1      0.4408187              1.0000000        
H   1
  1      0.1958045              1.0000000        
I   1
  1      1.1786463              1.0000000        
I   1
  1      0.6184778              1.0000000        
I   1
  1      0.3183335              1.0000000        
K   1
  1      7.4550450              1.0000000        
K   1
  1      0.5848477              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Zr
data:
ZIRCONIUM
S   1
  1     13.9633584              1.0000000        
S   1
  1      8.9621741              1.0000000        
S   1
  1      4.9504449              1.0000000        
S   1
  1      2.9370007              1.0000000        
S   1
  1      1.7300368              1.0000000        
S   1
  1      0.7369330              1.0000000        
S   1
  1      0.5518829              1.0000000        
S   1
  1      0.2125027              1.0000000        
S   1
  1      0.1300732              1.0000000        
S   1
  1      0.0466947              1.0000000        
S   1
  1      0.0192735              1.0000000        
P   1
  1     14.6735941              1.0000000        
P   1
  1      7.5245091              1.0000000        
P   1
  1      4.4279239              1.0000000        
P   1
  1      2.1362053              1.0000000        
P   1
  1      1.0196079              1.0000000        
P   1
  1      0.7572742              1.0000000        
P   1
  1      0.3534686              1.0000000        
P   1
  1      0.2007894              1.0000000        
P   1
  1      0.0817355              1.0000000        
P   1
  1      0.0333967              1.0000000        
P   1
  1      0.0156493              1.0000000        
D   1
  1     14.7674171              1.0000000        
D   1
  1      7.6782121              1.0000000        
D   1
  1      4.5547149              1.0000000        
D   1
  1      2.1834658              1.0000000        
D   1
  1      1.3579196              1.0000000        
D   1
  1      0.8135633              1.0000000        
D   1
  1      0.4831182              1.0000000        
D   1
  1      0.2659630              1.0000000        
D   1
  1      0.1367220              1.0000000        
D   1
  1      0.0383248              1.0000000        
F   1
  1      8.9882287              1.0000000        
F   1
  1      4.9992712              1.0000000        
F   1
  1      2.1338386              1.0000000        
F   1
  1      1.2310988              1.0000000        
F   1
  1      0.7032317              1.0000000        
F   1
  1      0.4375791              1.0000000        
F   1
  1      0.2290535              1.0000000        
F   1
  1      0.1155179              1.0000000        
G   1
  1      7.7706834              1.0000000        
G   1
  1      3.0113244              1.0000000        
G   1
  1      2.2583293              1.0000000        
G   1
  1      1.0484209              1.0000000        
G   1
  1      0.6258682              1.0000000        
G   1
  1      0.3160692              1.0000000        
G   1
  1      0.1606973              1.0000000        
H   1
  1      6.6739910              1.0000000        
H   1
  1      2.0866265              1.0000000        
H   1
  1      1.2682735              1.0000000        
H   1
  1      0.6544966              1.0000000        
H   1
  1      0.2823925              1.0000000        
I   1
  1      1.5721324              1.0000000        
I   1
  1      0.9441409              1.0000000        
I   1
  1      0.4314848              1.0000000        
K   1
  1      1.5079372              1.0000000        
K   1
  1      0.7513930              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Nb
data:
NIOBIUM
S   1
  1     13.9070044              1.0000000        
S   1
  1      8.9108885              1.0000000        
S   1
  1      4.9384098              1.0000000        
S   1
  1      2.9733683              1.0000000        
S   1
  1      1.8005871              1.0000000        
S   1
  1      1.0716338              1.0000000        
S   1
  1      0.5990864              1.0000000        
S   1
  1      0.3403007              1.0000000        
S   1
  1      0.1504510              1.0000000        
S   1
  1      0.0776421              1.0000000        
S   1
  1      0.0422274              1.0000000        
P   1
  1     14.8440510              1.0000000        
P   1
  1      7.7531707              1.0000000        
P   1
  1      4.6678909              1.0000000        
P   1
  1      3.0826943              1.0000000        
P   1
  1      1.9134491              1.0000000        
P   1
  1      1.1637011              1.0000000        
P   1
  1      0.6336494              1.0000000        
P   1
  1      0.4015616              1.0000000        
P   1
  1      0.1836120              1.0000000        
P   1
  1      0.0904558              1.0000000        
P   1
  1      0.0496090              1.0000000        
D   1
  1     14.7938631              1.0000000        
D   1
  1      7.7302592              1.0000000        
D   1
  1      4.6249183              1.0000000        
D   1
  1      2.1799392              1.0000000        
D   1
  1      1.3257806              1.0000000        
D   1
  1      0.8049437              1.0000000        
D   1
  1      0.3878673              1.0000000        
D   1
  1      0.2202854              1.0000000        
D   1
  1      0.0974099              1.0000000        
D   1
  1      0.0506893              1.0000000        
F   1
  1      8.9439243              1.0000000        
F   1
  1      4.9123280              1.0000000        
F   1
  1      2.3669269              1.0000000        
F   1
  1      1.2906315              1.0000000        
F   1
  1      0.6469814              1.0000000        
F   1
  1      0.3508057              1.0000000        
F   1
  1      0.1949032              1.0000000        
F   1
  1      0.1101851              1.0000000        
G   1
  1      3.9694441              1.0000000        
G   1
  1      2.9082458              1.0000000        
G   1
  1      1.3878435              1.0000000        
G   1
  1      0.8262586              1.0000000        
G   1
  1      0.4024330              1.0000000        
G   1
  1      0.1984736              1.0000000        
G   1
  1      0.0966536              1.0000000        
H   1
  1      3.5725381              1.0000000        
H   1
  1      2.1802119              1.0000000        
H   1
  1      1.2794751              1.0000000        
H   1
  1      0.7670776              1.0000000        
H   1
  1      0.3297542              1.0000000        
I   1
  1      1.8895514              1.0000000        
I   1
  1      1.0983593              1.0000000        
I   1
  1      0.5296491              1.0000000        
K   1
  1      1.6923779              1.0000000        
K   1
  1      0.9380603              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Mo
data:
MOLYBDENUM
S   1
  1     13.7876786              1.0000000        
S   1
  1      8.7804163              1.0000000        
S   1
  1      4.8274004              1.0000000        
S   1
  1      2.9253965              1.0000000        
S   1
  1      1.9983249              1.0000000        
S   1
  1      1.0818913              1.0000000        
S   1
  1      0.6055081              1.0000000        
S   1
  1      0.2745585              1.0000000        
S   1
  1      0.1258674              1.0000000        
S   1
  1      0.0606041              1.0000000        
S   1
  1      0.0260156              1.0000000        
P   1
  1     14.7698205              1.0000000        
P   1
  1      7.8275951              1.0000000        
P   1
  1      4.8980400              1.0000000        
P   1
  1      2.5540090              1.0000000        
P   1
  1      1.3871151              1.0000000        
P   1
  1      0.8836651              1.0000000        
P   1
  1      0.3959396              1.0000000        
P   1
  1      0.2354747              1.0000000        
P   1
  1      0.1079946              1.0000000        
P   1
  1      0.0520444              1.0000000        
P   1
  1      0.0253322              1.0000000        
D   1
  1     14.7027237              1.0000000        
D   1
  1      7.7325006              1.0000000        
D   1
  1      4.8661060              1.0000000        
D   1
  1      2.6697108              1.0000000        
D   1
  1      1.2521733              1.0000000        
D   1
  1      0.8758892              1.0000000        
D   1
  1      0.4186139              1.0000000        
D   1
  1      0.2315155              1.0000000        
D   1
  1      0.1244558              1.0000000        
D   1
  1      0.0721569              1.0000000        
F   1
  1      8.9840595              1.0000000        
F   1
  1      4.9961404              1.0000000        
F   1
  1      2.7674721              1.0000000        
F   1
  1      1.4274132              1.0000000        
F   1
  1      0.8139694              1.0000000        
F   1
  1      0.3938755              1.0000000        
F   1
  1      0.2294034              1.0000000        
F   1
  1      0.1214496              1.0000000        
G   1
  1     15.9060410              1.0000000        
G   1
  1      5.8965230              1.0000000        
G   1
  1      2.9721474              1.0000000        
G   1
  1      1.4530085              1.0000000        
G   1
  1      0.7379828              1.0000000        
G   1
  1      0.3870995              1.0000000        
G   1
  1      0.1821083              1.0000000        
H   1
  1      6.0962682              1.0000000        
H   1
  1      3.0636773              1.0000000        
H   1
  1      1.7359463              1.0000000        
H   1
  1      0.9646801              1.0000000        
H   1
  1      0.4158506              1.0000000        
I   1
  1      2.2206510              1.0000000        
I   1
  1      1.2706246              1.0000000        
I   1
  1      0.6371235              1.0000000        
K   1
  1      2.5780947              1.0000000        
K   1
  1      1.2334672              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Tc
data:
TECHNETIUM
S   1
  1     13.7234174              1.0000000        
S   1
  1      8.7071964              1.0000000        
S   1
  1      4.7544226              1.0000000        
S   1
  1      2.8869338              1.0000000        
S   1
  1      1.9983642              1.0000000        
S   1
  1      1.0400777              1.0000000        
S   1
  1      0.5793802              1.0000000        
S   1
  1      0.3224488              1.0000000        
S   1
  1      0.1348007              1.0000000        
S   1
  1      0.0566392              1.0000000        
S   1
  1      0.0259960              1.0000000        
P   1
  1     13.6066139              1.0000000        
P   1
  1      7.2088373              1.0000000        
P   1
  1      4.8944596              1.0000000        
P   1
  1      3.2445742              1.0000000        
P   1
  1      1.7945778              1.0000000        
P   1
  1      0.8672818              1.0000000        
P   1
  1      0.4853739              1.0000000        
P   1
  1      0.2733243              1.0000000        
P   1
  1      0.1202048              1.0000000        
P   1
  1      0.0546432              1.0000000        
P   1
  1      0.0259775              1.0000000        
D   1
  1     13.7340802              1.0000000        
D   1
  1      6.8274957              1.0000000        
D   1
  1      4.3883287              1.0000000        
D   1
  1      3.2213499              1.0000000        
D   1
  1      1.6575756              1.0000000        
D   1
  1      0.9087227              1.0000000        
D   1
  1      0.5940950              1.0000000        
D   1
  1      0.3040648              1.0000000        
D   1
  1      0.1561959              1.0000000        
D   1
  1      0.0675802              1.0000000        
F   1
  1      8.9485349              1.0000000        
F   1
  1      5.0505365              1.0000000        
F   1
  1      2.8572671              1.0000000        
F   1
  1      1.5883526              1.0000000        
F   1
  1      0.9047286              1.0000000        
F   1
  1      0.4395179              1.0000000        
F   1
  1      0.2497843              1.0000000        
F   1
  1      0.1371378              1.0000000        
G   1
  1      7.2924943              1.0000000        
G   1
  1      3.6107264              1.0000000        
G   1
  1      1.7633297              1.0000000        
G   1
  1      1.0531105              1.0000000        
G   1
  1      0.5534570              1.0000000        
G   1
  1      0.2409578              1.0000000        
G   1
  1      0.1307887              1.0000000        
H   1
  1      5.4661731              1.0000000        
H   1
  1      3.3343613              1.0000000        
H   1
  1      1.9154241              1.0000000        
H   1
  1      1.1254565              1.0000000        
H   1
  1      0.4885097              1.0000000        
I   1
  1      2.6140507              1.0000000        
I   1
  1      1.5606219              1.0000000        
I   1
  1      0.7678795              1.0000000        
K   1
  1      2.5782449              1.0000000        
K   1
  1      1.4088735              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Ru
data:
RUTHENIUM
S   1
  1     13.901489804            1.0000000        
S   1
  1      8.9198946954           1.0000000        
S   1
  1      4.7366122337           1.0000000        
S   1
  1      2.8470330623           1.0000000        
S   1
  1      1.9352483079           1.0000000        
S   1
  1      1.0218859653           1.0000000        
S   1
  1      0.50707088564          1.0000000        
S   1
  1      0.30008262746          1.0000000        
S   1
  1      0.13557757342          1.0000000        
S   1
  1      0.58351090945E-01            1.0000000        
S   1
  1      0.26412195165E-01            1.0000000        
P   1
  1     10.655680743            1.0000000        
P   1
  1      5.3174421632           1.0000000        
P   1
  1      3.7497062742           1.0000000        
P   1
  1      2.7534920688           1.0000000        
P   1
  1      1.4462080643           1.0000000        
P   1
  1      0.91478031093          1.0000000        
P   1
  1      0.42506356722          1.0000000        
P   1
  1      0.22288907198          1.0000000        
P   1
  1      0.10284756432          1.0000000        
P   1
  1      0.50116558829E-01            1.0000000        
P   1
  1      0.25131146366E-01            1.0000000        
D   1
  1     12.691924622            1.0000000        
D   1
  1      5.6860447623           1.0000000        
D   1
  1      3.4483512245           1.0000000        
D   1
  1      2.7641237745           1.0000000        
D   1
  1      1.6678101472           1.0000000        
D   1
  1      0.76223154054          1.0000000        
D   1
  1      0.49568578213          1.0000000        
D   1
  1      0.23930606250          1.0000000        
D   1
  1      0.11150566719          1.0000000        
D   1
  1      0.52053915962E-01            1.0000000        
F   1
  1      8.5355180874           1.0000000        
F   1
  1      4.5283633447           1.0000000        
F   1
  1      2.8724047815           1.0000000        
F   1
  1      1.5706981060           1.0000000        
F   1
  1      0.93408573515          1.0000000        
F   1
  1      0.44037126622          1.0000000        
F   1
  1      0.23225044950          1.0000000        
F   1
  1      0.13283384448          1.0000000        
G   1
  1     11.257988671            1.0000000        
G   1
  1      3.8765212202           1.0000000        
G   1
  1      2.0262533556           1.0000000        
G   1
  1      1.1583095021           1.0000000        
G   1
  1      0.61478691331          1.0000000        
G   1
  1      0.27933401185          1.0000000        
G   1
  1      0.12931015766          1.0000000        
H   1
  1      4.9042005425           1.0000000        
H   1
  1      3.3416266721           1.0000000        
H   1
  1      1.9024119146           1.0000000        
H   1
  1      1.1955975819           1.0000000        
H   1
  1      0.54850998697          1.0000000        
I   1
  1      3.0425432057           1.0000000        
I   1
  1      1.9140973911           1.0000000        
I   1
  1      0.90970184029          1.0000000        
K   1
  1      3.0409581467           1.0000000        
K   1
  1      1.6495543707           1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Rh
data:
RHODIUM
S   1
  1     13.8328914              1.0000000        
S   1
  1      8.8784372              1.0000000        
S   1
  1      4.9293454              1.0000000        
S   1
  1      2.9690133              1.0000000        
S   1
  1      1.9946701              1.0000000        
S   1
  1      0.9401615              1.0000000        
S   1
  1      0.5015179              1.0000000        
S   1
  1      0.2576651              1.0000000        
S   1
  1      0.1040055              1.0000000        
S   1
  1      0.0506773              1.0000000        
S   1
  1      0.0251487              1.0000000        
P   1
  1     10.8665608              1.0000000        
P   1
  1      5.1855358              1.0000000        
P   1
  1      3.7032673              1.0000000        
P   1
  1      2.8369581              1.0000000        
P   1
  1      1.7330952              1.0000000        
P   1
  1      0.8942688              1.0000000        
P   1
  1      0.4618180              1.0000000        
P   1
  1      0.2332087              1.0000000        
P   1
  1      0.1054113              1.0000000        
P   1
  1      0.0510724              1.0000000        
P   1
  1      0.0252289              1.0000000        
D   1
  1     13.7815180              1.0000000        
D   1
  1      6.3266202              1.0000000        
D   1
  1      3.5674469              1.0000000        
D   1
  1      2.2296655              1.0000000        
D   1
  1      1.4611438              1.0000000        
D   1
  1      0.7686612              1.0000000        
D   1
  1      0.3785696              1.0000000        
D   1
  1      0.2073757              1.0000000        
D   1
  1      0.1007188              1.0000000        
D   1
  1      0.0501513              1.0000000        
F   1
  1      8.3192585              1.0000000        
F   1
  1      4.7092659              1.0000000        
F   1
  1      2.8971909              1.0000000        
F   1
  1      1.6946255              1.0000000        
F   1
  1      0.9544472              1.0000000        
F   1
  1      0.4859972              1.0000000        
F   1
  1      0.2585438              1.0000000        
F   1
  1      0.1268428              1.0000000        
G   1
  1     13.0625033              1.0000000        
G   1
  1      4.3265791              1.0000000        
G   1
  1      2.3596901              1.0000000        
G   1
  1      1.3674442              1.0000000        
G   1
  1      0.7385598              1.0000000        
G   1
  1      0.3347290              1.0000000        
G   1
  1      0.1695710              1.0000000        
H   1
  1      5.1631931              1.0000000        
H   1
  1      3.3707123              1.0000000        
H   1
  1      1.9003297              1.0000000        
H   1
  1      1.1609962              1.0000000        
H   1
  1      0.6086930              1.0000000        
I   1
  1      3.4608878              1.0000000        
I   1
  1      2.1965973              1.0000000        
I   1
  1      1.0665205              1.0000000        
K   1
  1      3.6819634              1.0000000        
K   1
  1      1.9460227              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Pd
data:
PALLADIUM
S   1
  1     13.9984288              1.0000000        
S   1
  1      9.0068042              1.0000000        
S   1
  1      4.9984884              1.0000000        
S   1
  1      2.9781496              1.0000000        
S   1
  1      1.9745677              1.0000000        
S   1
  1      0.9938020              1.0000000        
S   1
  1      0.5108991              1.0000000        
S   1
  1      0.2544549              1.0000000        
S   1
  1      0.1006252              1.0000000        
S   1
  1      0.0499644              1.0000000        
S   1
  1      0.0249880              1.0000000        
P   1
  1     12.6851732              1.0000000        
P   1
  1      6.1686234              1.0000000        
P   1
  1      3.9980739              1.0000000        
P   1
  1      2.7784405              1.0000000        
P   1
  1      1.4920399              1.0000000        
P   1
  1      0.7882309              1.0000000        
P   1
  1      0.4029939              1.0000000        
P   1
  1      0.2104955              1.0000000        
P   1
  1      0.1017137              1.0000000        
P   1
  1      0.0503839              1.0000000        
P   1
  1      0.0250947              1.0000000        
D   1
  1     14.2570713              1.0000000        
D   1
  1      6.9773551              1.0000000        
D   1
  1      4.0141126              1.0000000        
D   1
  1      2.2389921              1.0000000        
D   1
  1      1.3113378              1.0000000        
D   1
  1      0.7564823              1.0000000        
D   1
  1      0.3643127              1.0000000        
D   1
  1      0.2026401              1.0000000        
D   1
  1      0.1003526              1.0000000        
D   1
  1      0.0500919              1.0000000        
F   1
  1      8.5213536              1.0000000        
F   1
  1      4.7398220              1.0000000        
F   1
  1      2.9802461              1.0000000        
F   1
  1      1.7031091              1.0000000        
F   1
  1      0.8749403              1.0000000        
F   1
  1      0.4657819              1.0000000        
F   1
  1      0.2415801              1.0000000        
F   1
  1      0.1104524              1.0000000        
G   1
  1     14.1053415              1.0000000        
G   1
  1      4.7495105              1.0000000        
G   1
  1      2.6243052              1.0000000        
G   1
  1      1.4755865              1.0000000        
G   1
  1      0.7982883              1.0000000        
G   1
  1      0.3604478              1.0000000        
G   1
  1      0.1702924              1.0000000        
H   1
  1      5.3824435              1.0000000        
H   1
  1      3.6297464              1.0000000        
H   1
  1      1.8783415              1.0000000        
H   1
  1      0.9885945              1.0000000        
H   1
  1      0.5720912              1.0000000        
I   1
  1      3.8892699              1.0000000        
I   1
  1      2.5196059              1.0000000        
I   1
  1      1.2210462              1.0000000        
K   1
  1      4.2564871              1.0000000        
K   1
  1      2.2224895              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Hf
data:
HAFNIUM
S   1
  1      6.8775200              1.0000000        
S   1
  1      3.9801300              1.0000000        
S   1
  1      2.4979200              1.0000000        
S   1
  1      1.2736300              1.0000000        
S   1
  1      0.6531630              1.0000000        
S   1
  1      0.3723770              1.0000000        
S   1
  1      0.1750080              1.0000000        
S   1
  1      0.0933870              1.0000000        
S   1
  1      0.0685350              1.0000000        
S   1
  1      0.0233790              1.0000000        
S   1
  1      0.0090100              1.0000000        
P   1
  1      6.0479900              1.0000000        
P   1
  1      2.9973000              1.0000000        
P   1
  1      1.7290700              1.0000000        
P   1
  1      0.7850240              1.0000000        
P   1
  1      0.5135350              1.0000000        
P   1
  1      0.3125720              1.0000000        
P   1
  1      0.1595200              1.0000000        
P   1
  1      0.0878700              1.0000000        
P   1
  1      0.0611230              1.0000000        
P   1
  1      0.0347020              1.0000000        
P   1
  1      0.0090210              1.0000000        
D   1
  1      5.7765700              1.0000000        
D   1
  1      3.7070400              1.0000000        
D   1
  1      1.9792500              1.0000000        
D   1
  1      0.8973870              1.0000000        
D   1
  1      0.6051140              1.0000000        
D   1
  1      0.2643160              1.0000000        
D   1
  1      0.1708760              1.0000000        
D   1
  1      0.1004430              1.0000000        
D   1
  1      0.0566170              1.0000000        
D   1
  1      0.0265740              1.0000000        
F   1
  1      3.9358700              1.0000000        
F   1
  1      2.1764600              1.0000000        
F   1
  1      1.0212300              1.0000000        
F   1
  1      0.5428360              1.0000000        
F   1
  1      0.3526950              1.0000000        
F   1
  1      0.1669070              1.0000000        
F   1
  1      0.0876850              1.0000000        
F   1
  1      0.0509720              1.0000000        
G   1
  1      4.3852900              1.0000000        
G   1
  1      2.0265600              1.0000000        
G   1
  1      0.9935900              1.0000000        
G   1
  1      0.5393300              1.0000000        
G   1
  1      0.2861310              1.0000000        
G   1
  1      0.1347220              1.0000000        
G   1
  1      0.0696310              1.0000000        
H   1
  1      2.7504400              1.0000000        
H   1
  1      1.3925100              1.0000000        
H   1
  1      0.6762990              1.0000000        
H   1
  1      0.4263670              1.0000000        
H   1
  1      0.1959610              1.0000000        
I   1
  1      1.3219600              1.0000000        
I   1
  1      0.7699220              1.0000000        
I   1
  1      0.3585180              1.0000000        
K   1
  1      1.1430620              1.0000000        
K   1
  1      0.6052640              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Ta
data:
TANTALUM
S   1
  1      7.1949400              1.0000000        
S   1
  1      4.2082800              1.0000000        
S   1
  1      2.6071500              1.0000000        
S   1
  1      1.4363700              1.0000000        
S   1
  1      0.7964250              1.0000000        
S   1
  1      0.4965330              1.0000000        
S   1
  1      0.2091970              1.0000000        
S   1
  1      0.1175200              1.0000000        
S   1
  1      0.0802690              1.0000000        
S   1
  1      0.0253530              1.0000000        
S   1
  1      0.0095460              1.0000000        
P   1
  1      6.3142100              1.0000000        
P   1
  1      3.1642600              1.0000000        
P   1
  1      1.9569900              1.0000000        
P   1
  1      0.9236010              1.0000000        
P   1
  1      0.6177770              1.0000000        
P   1
  1      0.3739990              1.0000000        
P   1
  1      0.1916990              1.0000000        
P   1
  1      0.0925330              1.0000000        
P   1
  1      0.0675790              1.0000000        
P   1
  1      0.0386070              1.0000000        
P   1
  1      0.0096170              1.0000000        
D   1
  1      6.3795600              1.0000000        
D   1
  1      3.9881600              1.0000000        
D   1
  1      2.0979400              1.0000000        
D   1
  1      1.0075900              1.0000000        
D   1
  1      0.6980900              1.0000000        
D   1
  1      0.3078640              1.0000000        
D   1
  1      0.1810690              1.0000000        
D   1
  1      0.1002460              1.0000000        
D   1
  1      0.0592490              1.0000000        
D   1
  1      0.0304930              1.0000000        
F   1
  1      4.1360500              1.0000000        
F   1
  1      2.4146400              1.0000000        
F   1
  1      1.1598800              1.0000000        
F   1
  1      0.6205620              1.0000000        
F   1
  1      0.3873900              1.0000000        
F   1
  1      0.2108370              1.0000000        
F   1
  1      0.0956960              1.0000000        
F   1
  1      0.0565040              1.0000000        
G   1
  1      4.6942500              1.0000000        
G   1
  1      2.1983200              1.0000000        
G   1
  1      1.1705200              1.0000000        
G   1
  1      0.6064010              1.0000000        
G   1
  1      0.3513420              1.0000000        
G   1
  1      0.1679610              1.0000000        
G   1
  1      0.0851200              1.0000000        
H   1
  1      3.1992800              1.0000000        
H   1
  1      1.6548400              1.0000000        
H   1
  1      0.8239850              1.0000000        
H   1
  1      0.5177610              1.0000000        
H   1
  1      0.2519890              1.0000000        
I   1
  1      1.5619200              1.0000000        
I   1
  1      0.8263030              1.0000000        
I   1
  1      0.4517990              1.0000000        
K   1
  1      1.4281980              1.0000000        
K   1
  1      0.7836140              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: W
data:
TUNGSTEN
S   1
  1      7.5864300              1.0000000        
S   1
  1      4.6105900              1.0000000        
S   1
  1      2.9071900              1.0000000        
S   1
  1      1.6385500              1.0000000        
S   1
  1      0.9016030              1.0000000        
S   1
  1      0.6003060              1.0000000        
S   1
  1      0.2797260              1.0000000        
S   1
  1      0.1423020              1.0000000        
S   1
  1      0.0956410              1.0000000        
S   1
  1      0.0317920              1.0000000        
S   1
  1      0.0105980              1.0000000        
P   1
  1      6.6403700              1.0000000        
P   1
  1      3.3548000              1.0000000        
P   1
  1      2.0872000              1.0000000        
P   1
  1      1.0528200              1.0000000        
P   1
  1      0.6844660              1.0000000        
P   1
  1      0.4201670              1.0000000        
P   1
  1      0.2231300              1.0000000        
P   1
  1      0.1116230              1.0000000        
P   1
  1      0.0773760              1.0000000        
P   1
  1      0.0435820              1.0000000        
P   1
  1      0.0106160              1.0000000        
D   1
  1      6.8429800              1.0000000        
D   1
  1      4.2354100              1.0000000        
D   1
  1      2.2735700              1.0000000        
D   1
  1      1.2571300              1.0000000        
D   1
  1      0.7836960              1.0000000        
D   1
  1      0.3850310              1.0000000        
D   1
  1      0.2171000              1.0000000        
D   1
  1      0.1071500              1.0000000        
D   1
  1      0.0679400              1.0000000        
D   1
  1      0.0377320              1.0000000        
F   1
  1      4.3023800              1.0000000        
F   1
  1      2.5904200              1.0000000        
F   1
  1      1.4272000              1.0000000        
F   1
  1      0.7248410              1.0000000        
F   1
  1      0.4953760              1.0000000        
F   1
  1      0.2598460              1.0000000        
F   1
  1      0.1168510              1.0000000        
F   1
  1      0.0741480              1.0000000        
G   1
  1      5.2503600              1.0000000        
G   1
  1      2.4811500              1.0000000        
G   1
  1      1.3775900              1.0000000        
G   1
  1      0.7073170              1.0000000        
G   1
  1      0.4220470              1.0000000        
G   1
  1      0.1977270              1.0000000        
G   1
  1      0.1004480              1.0000000        
H   1
  1      3.4989300              1.0000000        
H   1
  1      1.8995100              1.0000000        
H   1
  1      0.9476970              1.0000000        
H   1
  1      0.6103620              1.0000000        
H   1
  1      0.3043570              1.0000000        
I   1
  1      1.8375800              1.0000000        
I   1
  1      0.9936910              1.0000000        
I   1
  1      0.5480220              1.0000000        
K   1
  1      1.6448150              1.0000000        
K   1
  1      0.9503860              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Re
data:
RHENIUM
S   1
  1      7.9864300              1.0000000        
S   1
  1      4.9998900              1.0000000        
S   1
  1      3.1905000              1.0000000        
S   1
  1      1.9459100              1.0000000        
S   1
  1      1.0535400              1.0000000        
S   1
  1      0.6335660              1.0000000        
S   1
  1      0.4683800              1.0000000        
S   1
  1      0.2194800              1.0000000        
S   1
  1      0.1272630              1.0000000        
S   1
  1      0.0523390              1.0000000        
S   1
  1      0.0146500              1.0000000        
P   1
  1      6.8027800              1.0000000        
P   1
  1      3.3928100              1.0000000        
P   1
  1      2.1717900              1.0000000        
P   1
  1      1.2186000              1.0000000        
P   1
  1      0.7761000              1.0000000        
P   1
  1      0.4788550              1.0000000        
P   1
  1      0.2716480              1.0000000        
P   1
  1      0.1192490              1.0000000        
P   1
  1      0.0774840              1.0000000        
P   1
  1      0.0481890              1.0000000        
P   1
  1      0.0138680              1.0000000        
D   1
  1      7.2542900              1.0000000        
D   1
  1      4.4275100              1.0000000        
D   1
  1      2.4870700              1.0000000        
D   1
  1      1.4661200              1.0000000        
D   1
  1      0.8328430              1.0000000        
D   1
  1      0.4598650              1.0000000        
D   1
  1      0.2651160              1.0000000        
D   1
  1      0.1436060              1.0000000        
D   1
  1      0.0875160              1.0000000        
D   1
  1      0.0452590              1.0000000        
F   1
  1      4.4179400              1.0000000        
F   1
  1      2.7657100              1.0000000        
F   1
  1      1.5146100              1.0000000        
F   1
  1      0.8157490              1.0000000        
F   1
  1      0.5792000              1.0000000        
F   1
  1      0.2917500              1.0000000        
F   1
  1      0.1442820              1.0000000        
F   1
  1      0.0803940              1.0000000        
G   1
  1      5.8591300              1.0000000        
G   1
  1      2.6563300              1.0000000        
G   1
  1      1.5950700              1.0000000        
G   1
  1      0.8979970              1.0000000        
G   1
  1      0.5279690              1.0000000        
G   1
  1      0.2724240              1.0000000        
G   1
  1      0.1360260              1.0000000        
H   1
  1      3.7671100              1.0000000        
H   1
  1      2.1954000              1.0000000        
H   1
  1      1.1882700              1.0000000        
H   1
  1      0.8190010              1.0000000        
H   1
  1      0.3806410              1.0000000        
I   1
  1      2.0690400              1.0000000        
I   1
  1      1.1191800              1.0000000        
I   1
  1      0.6575050              1.0000000        
K   1
  1      1.7963190              1.0000000        
K   1
  1      1.1130330              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Os
data:
OSMIUM
S   1
  1      8.3896800              1.0000000        
S   1
  1      5.4025600              1.0000000        
S   1
  1      3.5929100              1.0000000        
S   1
  1      2.2315800              1.0000000        
S   1
  1      1.2952300              1.0000000        
S   1
  1      0.7485440              1.0000000        
S   1
  1      0.4020240              1.0000000        
S   1
  1      0.2082790              1.0000000        
S   1
  1      0.1061100              1.0000000        
S   1
  1      0.0390220              1.0000000        
S   1
  1      0.0168250              1.0000000        
P   1
  1      7.1792000              1.0000000        
P   1
  1      3.8167500              1.0000000        
P   1
  1      2.2471300              1.0000000        
P   1
  1      1.4752900              1.0000000        
P   1
  1      0.8729920              1.0000000        
P   1
  1      0.5314980              1.0000000        
P   1
  1      0.2853660              1.0000000        
P   1
  1      0.1488640              1.0000000        
P   1
  1      0.0845750              1.0000000        
P   1
  1      0.0536260              1.0000000        
P   1
  1      0.0188640              1.0000000        
D   1
  1      7.7612400              1.0000000        
D   1
  1      4.7724400              1.0000000        
D   1
  1      2.7661100              1.0000000        
D   1
  1      1.7264800              1.0000000        
D   1
  1      0.9965310              1.0000000        
D   1
  1      0.5459160              1.0000000        
D   1
  1      0.3196290              1.0000000        
D   1
  1      0.1560720              1.0000000        
D   1
  1      0.0830250              1.0000000        
D   1
  1      0.0486560              1.0000000        
F   1
  1      4.7334200              1.0000000        
F   1
  1      2.9844600              1.0000000        
F   1
  1      1.7488600              1.0000000        
F   1
  1      0.9270570              1.0000000        
F   1
  1      0.6173000              1.0000000        
F   1
  1      0.3318020              1.0000000        
F   1
  1      0.1538560              1.0000000        
F   1
  1      0.0762720              1.0000000        
G   1
  1      6.3405200              1.0000000        
G   1
  1      2.8641600              1.0000000        
G   1
  1      1.7136100              1.0000000        
G   1
  1      0.9069980              1.0000000        
G   1
  1      0.5602820              1.0000000        
G   1
  1      0.2622780              1.0000000        
G   1
  1      0.1274240              1.0000000        
H   1
  1      4.1405600              1.0000000        
H   1
  1      2.3511800              1.0000000        
H   1
  1      1.2062300              1.0000000        
H   1
  1      0.7878840              1.0000000        
H   1
  1      0.4027190              1.0000000        
I   1
  1      2.3039800              1.0000000        
I   1
  1      1.2977600              1.0000000        
I   1
  1      0.7338260              1.0000000        
K   1
  1      2.0437410              1.0000000        
K   1
  1      1.2537600              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Ir
data:
IRIDIUM
S   1
  1      9.0385700              1.0000000        
S   1
  1      6.1560200              1.0000000        
S   1
  1      4.0423200              1.0000000        
S   1
  1      2.8087400              1.0000000        
S   1
  1      1.4949300              1.0000000        
S   1
  1      0.8031870              1.0000000        
S   1
  1      0.5714630              1.0000000        
S   1
  1      0.2668250              1.0000000        
S   1
  1      0.1399890              1.0000000        
S   1
  1      0.0583900              1.0000000        
S   1
  1      0.0209080              1.0000000        
P   1
  1      7.9568600              1.0000000        
P   1
  1      4.2912100              1.0000000        
P   1
  1      2.6501700              1.0000000        
P   1
  1      1.6787800              1.0000000        
P   1
  1      1.0693800              1.0000000        
P   1
  1      0.6303390              1.0000000        
P   1
  1      0.3404930              1.0000000        
P   1
  1      0.1954130              1.0000000        
P   1
  1      0.0965930              1.0000000        
P   1
  1      0.0641050              1.0000000        
P   1
  1      0.0249370              1.0000000        
D   1
  1      8.8583900              1.0000000        
D   1
  1      5.1456500              1.0000000        
D   1
  1      2.9560300              1.0000000        
D   1
  1      2.0837700              1.0000000        
D   1
  1      1.1522700              1.0000000        
D   1
  1      0.5620780              1.0000000        
D   1
  1      0.4128580              1.0000000        
D   1
  1      0.1903670              1.0000000        
D   1
  1      0.0945180              1.0000000        
D   1
  1      0.0576110              1.0000000        
F   1
  1      4.9801400              1.0000000        
F   1
  1      3.2764200              1.0000000        
F   1
  1      1.8744600              1.0000000        
F   1
  1      1.0733100              1.0000000        
F   1
  1      0.7186170              1.0000000        
F   1
  1      0.3838390              1.0000000        
F   1
  1      0.2044740              1.0000000        
F   1
  1      0.0832820              1.0000000        
G   1
  1      7.1115300              1.0000000        
G   1
  1      3.4650100              1.0000000        
G   1
  1      2.1048300              1.0000000        
G   1
  1      1.3806900              1.0000000        
G   1
  1      0.6849700              1.0000000        
G   1
  1      0.3634010              1.0000000        
G   1
  1      0.1834200              1.0000000        
H   1
  1      4.5642000              1.0000000        
H   1
  1      2.7533000              1.0000000        
H   1
  1      1.5689300              1.0000000        
H   1
  1      1.0409400              1.0000000        
H   1
  1      0.4920260              1.0000000        
I   1
  1      2.5219400              1.0000000        
I   1
  1      1.2460500              1.0000000        
I   1
  1      0.7902210              1.0000000        
K   1
  1      2.3037350              1.0000000        
K   1
  1      1.4295630              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis set for use with cc-pVQZ-PP AO basis set
elt: Pt
data:
PLATINUM
S   1
  1      9.8632800              1.0000000        
S   1
  1      6.8635800              1.0000000        
S   1
  1      4.5204000              1.0000000        
S   1
  1      3.1340100              1.0000000        
S   1
  1      1.7038200              1.0000000        
S   1
  1      1.0422700              1.0000000        
S   1
  1      0.5102640              1.0000000        
S   1
  1      0.2646300              1.0000000        
S   1
  1      0.1212020              1.0000000        
S   1
  1      0.0506120              1.0000000        
S   1
  1      0.0287130              1.0000000        
P   1
  1      8.6552300              1.0000000        
P   1
  1      4.9481900              1.0000000        
P   1
  1      3.0792700              1.0000000        
P   1
  1      1.9857200              1.0000000        
P   1
  1      1.3966400              1.0000000        
P   1
  1      0.7426900              1.0000000        
P   1
  1      0.4177550              1.0000000        
P   1
  1      0.2290990              1.0000000        
P   1
  1      0.1098950              1.0000000        
P   1
  1      0.0716780              1.0000000        
P   1
  1      0.0328670              1.0000000        
D   1
  1      9.5754500              1.0000000        
D   1
  1      5.7607700              1.0000000        
D   1
  1      3.3866100              1.0000000        
D   1
  1      2.0954800              1.0000000        
D   1
  1      1.3981800              1.0000000        
D   1
  1      0.7254170              1.0000000        
D   1
  1      0.3810310              1.0000000        
D   1
  1      0.1968410              1.0000000        
D   1
  1      0.1035240              1.0000000        
D   1
  1      0.0660070              1.0000000        
F   1
  1      5.3079500              1.0000000        
F   1
  1      3.4784300              1.0000000        
F   1
  1      2.1758100              1.0000000        
F   1
  1      1.2002400              1.0000000        
F   1
  1      0.7999720              1.0000000        
F   1
  1      0.4261920              1.0000000        
F   1
  1      0.2145130              1.0000000        
F   1
  1      0.1033790              1.0000000        
G   1
  1      8.6607000              1.0000000        
G   1
  1      4.7517400              1.0000000        
G   1
  1      2.6354100              1.0000000        
G   1
  1      1.6635100              1.0000000        
G   1
  1      0.7822730              1.0000000        
G   1
  1      0.3866830              1.0000000        
G   1
  1      0.1893380              1.0000000        
H   1
  1      5.0432200              1.0000000        
H   1
  1      2.9636100              1.0000000        
H   1
  1      1.6746600              1.0000000        
H   1
  1      1.0969600              1.0000000        
H   1
  1      0.5318540              1.0000000        
I   1
  1      2.8252700              1.0000000        
I   1
  1      1.7204700              1.0000000        
I   1
  1      0.9525680              1.0000000        
K   1
  1      2.6113690              1.0000000        
K   1
  1      1.5997670              1.0000000        


name: cc-pVQZ-PP-RI
elt: Cu
data:
COPPER
S   1
  1     26.034100000            1.0000000        
S   1
  1     15.776700000            1.0000000        
S   1
  1      9.9559000000           1.0000000        
S   1
  1      6.1720300000           1.0000000        
S   1
  1      3.2354100000           1.0000000        
S   1
  1      1.5329200000           1.0000000        
S   1
  1      0.80589100000          1.0000000        
S   1
  1      0.41243800000          1.0000000        
S   1
  1      0.20134000000          1.0000000        
S   1
  1      0.11171500000          1.0000000        
S   1
  1      0.61494300000E-01            1.0000000        
P   1
  1     26.380400000            1.0000000        
P   1
  1     16.241100000            1.0000000        
P   1
  1      9.5133400000           1.0000000        
P   1
  1      4.6219000000           1.0000000        
P   1
  1      2.8693300000           1.0000000        
P   1
  1      1.5525000000           1.0000000        
P   1
  1      0.89893900000          1.0000000        
P   1
  1      0.52082500000          1.0000000        
P   1
  1      0.31067900000          1.0000000        
P   1
  1      0.16099600000          1.0000000        
P   1
  1      0.79563200000E-01            1.0000000        
D   1
  1     23.773500000            1.0000000        
D   1
  1     14.612400000            1.0000000        
D   1
  1      8.3081700000           1.0000000        
D   1
  1      4.0026100000           1.0000000        
D   1
  1      2.7150600000           1.0000000        
D   1
  1      1.4849700000           1.0000000        
D   1
  1      0.76204200000          1.0000000        
D   1
  1      0.44204800000          1.0000000        
D   1
  1      0.25652800000          1.0000000        
D   1
  1      0.14606300000          1.0000000        
F   1
  1     14.892200000            1.0000000        
F   1
  1     10.386800000            1.0000000        
F   1
  1      5.5153300000           1.0000000        
F   1
  1      3.3555400000           1.0000000        
F   1
  1      1.5599900000           1.0000000        
F   1
  1      0.93579900000          1.0000000        
F   1
  1      0.45225500000          1.0000000        
F   1
  1      0.24521100000          1.0000000        
G   1
  1     27.559400000            1.0000000        
G   1
  1     10.612800000            1.0000000        
G   1
  1      6.8797100000           1.0000000        
G   1
  1      3.5309400000           1.0000000        
G   1
  1      1.8080000000           1.0000000        
G   1
  1      0.69967200000          1.0000000        
G   1
  1      0.33891600000          1.0000000        
H   1
  1     16.395400000            1.0000000        
H   1
  1      8.4479600000           1.0000000        
H   1
  1      4.6832400000           1.0000000        
H   1
  1      2.8024400000           1.0000000        
H   1
  1      1.2955800000           1.0000000        
I   1
  1     11.311400000            1.0000000        
I   1
  1      6.1147100000           1.0000000        
I   1
  1      2.8549200000           1.0000000        
K   1
  1      8.8698200000           1.0000000        
K   1
  1      5.0178700000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Zn
data:
ZINC
S   1
  1     30.720200000            1.0000000        
S   1
  1     18.616500000            1.0000000        
S   1
  1     11.748000000            1.0000000        
S   1
  1      7.2829900000           1.0000000        
S   1
  1      3.8177900000           1.0000000        
S   1
  1      1.8088400000           1.0000000        
S   1
  1      0.95095100000          1.0000000        
S   1
  1      0.48667700000          1.0000000        
S   1
  1      0.23758100000          1.0000000        
S   1
  1      0.13182400000          1.0000000        
S   1
  1      0.72563300000E-01            1.0000000        
P   1
  1     31.128900000            1.0000000        
P   1
  1     19.164500000            1.0000000        
P   1
  1     11.225700000            1.0000000        
P   1
  1      5.4538400000           1.0000000        
P   1
  1      3.3858100000           1.0000000        
P   1
  1      1.8319500000           1.0000000        
P   1
  1      1.0607500000           1.0000000        
P   1
  1      0.61457300000          1.0000000        
P   1
  1      0.36660100000          1.0000000        
P   1
  1      0.18997500000          1.0000000        
P   1
  1      0.93884600000E-01            1.0000000        
D   1
  1     28.052800000            1.0000000        
D   1
  1     17.242700000            1.0000000        
D   1
  1      9.8036400000           1.0000000        
D   1
  1      4.7230800000           1.0000000        
D   1
  1      3.2037700000           1.0000000        
D   1
  1      1.7522600000           1.0000000        
D   1
  1      0.89920900000          1.0000000        
D   1
  1      0.52161600000          1.0000000        
D   1
  1      0.30270300000          1.0000000        
D   1
  1      0.17235500000          1.0000000        
F   1
  1     17.572700000            1.0000000        
F   1
  1     12.256400000            1.0000000        
F   1
  1      6.5080900000           1.0000000        
F   1
  1      3.9595400000           1.0000000        
F   1
  1      1.8407900000           1.0000000        
F   1
  1      1.1042400000           1.0000000        
F   1
  1      0.53366100000          1.0000000        
F   1
  1      0.28934900000          1.0000000        
G   1
  1     32.520100000            1.0000000        
G   1
  1     12.523100000            1.0000000        
G   1
  1      8.1180600000           1.0000000        
G   1
  1      4.1665100000           1.0000000        
G   1
  1      2.1334400000           1.0000000        
G   1
  1      0.82561300000          1.0000000        
G   1
  1      0.39992100000          1.0000000        
H   1
  1     19.346500000            1.0000000        
H   1
  1      9.9685900000           1.0000000        
H   1
  1      5.5262200000           1.0000000        
H   1
  1      3.3068800000           1.0000000        
H   1
  1      1.5287800000           1.0000000        
I   1
  1     13.347400000            1.0000000        
I   1
  1      7.2153600000           1.0000000        
I   1
  1      3.3688000000           1.0000000        
K   1
  1     10.466400000            1.0000000        
K   1
  1      5.9210900000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Ga
data:
GALLIUM
S   1
  1     20.678700000            1.0000000        
S   1
  1     11.755500000            1.0000000        
S   1
  1      7.7107700000           1.0000000        
S   1
  1      3.3256900000           1.0000000        
S   1
  1      1.7465900000           1.0000000        
S   1
  1      1.0288300000           1.0000000        
S   1
  1      0.62323100000          1.0000000        
S   1
  1      0.35016400000          1.0000000        
S   1
  1      0.21835900000          1.0000000        
S   1
  1      0.11349100000          1.0000000        
P   1
  1     24.893300000            1.0000000        
P   1
  1     19.532600000            1.0000000        
P   1
  1     10.283100000            1.0000000        
P   1
  1      4.5249400000           1.0000000        
P   1
  1      2.4223800000           1.0000000        
P   1
  1      1.1399200000           1.0000000        
P   1
  1      0.72550600000          1.0000000        
P   1
  1      0.40889800000          1.0000000        
P   1
  1      0.19467900000          1.0000000        
P   1
  1      0.11121100000          1.0000000        
D   1
  1     26.015300000            1.0000000        
D   1
  1     12.028300000            1.0000000        
D   1
  1      5.6838200000           1.0000000        
D   1
  1      2.6000800000           1.0000000        
D   1
  1      1.3154900000           1.0000000        
D   1
  1      0.68904400000          1.0000000        
D   1
  1      0.41406700000          1.0000000        
D   1
  1      0.28161400000          1.0000000        
D   1
  1      0.14716400000          1.0000000        
F   1
  1     26.807800000            1.0000000        
F   1
  1     10.966900000            1.0000000        
F   1
  1      4.4364100000           1.0000000        
F   1
  1      2.0254300000           1.0000000        
F   1
  1      1.1709600000           1.0000000        
F   1
  1      0.58335100000          1.0000000        
F   1
  1      0.31736200000          1.0000000        
F   1
  1      0.14010800000          1.0000000        
G   1
  1     25.916400000            1.0000000        
G   1
  1      8.9308700000           1.0000000        
G   1
  1      2.9853500000           1.0000000        
G   1
  1      1.4406600000           1.0000000        
G   1
  1      0.59094600000          1.0000000        
G   1
  1      0.28744200000          1.0000000        
H   1
  1      3.3148200000           1.0000000        
H   1
  1      1.2781800000           1.0000000        
H   1
  1      0.54314500000          1.0000000        
I   1
  1      1.1881400000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Ge
data:
GERMANIUM
S   1
  1     21.112800000            1.0000000        
S   1
  1     12.587700000            1.0000000        
S   1
  1      8.3335000000           1.0000000        
S   1
  1      3.1359800000           1.0000000        
S   1
  1      1.7097100000           1.0000000        
S   1
  1      1.0207700000           1.0000000        
S   1
  1      0.60499700000          1.0000000        
S   1
  1      0.31406800000          1.0000000        
S   1
  1      0.18750200000          1.0000000        
S   1
  1      0.11456700000          1.0000000        
P   1
  1     25.470100000            1.0000000        
P   1
  1     19.979400000            1.0000000        
P   1
  1     10.290800000            1.0000000        
P   1
  1      4.5175400000           1.0000000        
P   1
  1      2.4546200000           1.0000000        
P   1
  1      1.1694500000           1.0000000        
P   1
  1      0.73647600000          1.0000000        
P   1
  1      0.46146900000          1.0000000        
P   1
  1      0.25319300000          1.0000000        
P   1
  1      0.14198000000          1.0000000        
D   1
  1     28.294200000            1.0000000        
D   1
  1     11.678600000            1.0000000        
D   1
  1      5.8814700000           1.0000000        
D   1
  1      2.7329800000           1.0000000        
D   1
  1      1.3842800000           1.0000000        
D   1
  1      0.80773600000          1.0000000        
D   1
  1      0.43386500000          1.0000000        
D   1
  1      0.22179800000          1.0000000        
D   1
  1      0.14269000000          1.0000000        
F   1
  1     29.247300000            1.0000000        
F   1
  1     11.118000000            1.0000000        
F   1
  1      4.4064000000           1.0000000        
F   1
  1      2.4196600000           1.0000000        
F   1
  1      1.2878300000           1.0000000        
F   1
  1      0.70434500000          1.0000000        
F   1
  1      0.40148100000          1.0000000        
F   1
  1      0.18584800000          1.0000000        
G   1
  1     28.427100000            1.0000000        
G   1
  1      9.7631300000           1.0000000        
G   1
  1      3.1225300000           1.0000000        
G   1
  1      1.6569900000           1.0000000        
G   1
  1      0.70539300000          1.0000000        
G   1
  1      0.35161800000          1.0000000        
H   1
  1      4.0716500000           1.0000000        
H   1
  1      1.5675600000           1.0000000        
H   1
  1      0.64228400000          1.0000000        
I   1
  1      1.4406000000           1.0000000        


name: cc-pVQZ-PP-RI
elt: As
data:
ARSENIC
S   1
  1     26.467300000            1.0000000        
S   1
  1     13.850100000            1.0000000        
S   1
  1      8.4965900000           1.0000000        
S   1
  1      3.4471800000           1.0000000        
S   1
  1      1.6946900000           1.0000000        
S   1
  1      1.0182600000           1.0000000        
S   1
  1      0.66008800000          1.0000000        
S   1
  1      0.38411000000          1.0000000        
S   1
  1      0.22418300000          1.0000000        
S   1
  1      0.11560800000          1.0000000        
P   1
  1     25.906500000            1.0000000        
P   1
  1     20.507400000            1.0000000        
P   1
  1     10.747100000            1.0000000        
P   1
  1      4.5093000000           1.0000000        
P   1
  1      2.4494700000           1.0000000        
P   1
  1      1.1653700000           1.0000000        
P   1
  1      0.73665100000          1.0000000        
P   1
  1      0.47333300000          1.0000000        
P   1
  1      0.27289800000          1.0000000        
P   1
  1      0.14687700000          1.0000000        
D   1
  1     30.629600000            1.0000000        
D   1
  1     11.978300000            1.0000000        
D   1
  1      5.7111900000           1.0000000        
D   1
  1      2.9888400000           1.0000000        
D   1
  1      1.3587600000           1.0000000        
D   1
  1      0.86820500000          1.0000000        
D   1
  1      0.51370800000          1.0000000        
D   1
  1      0.28193900000          1.0000000        
D   1
  1      0.13895700000          1.0000000        
F   1
  1     28.628000000            1.0000000        
F   1
  1     11.532100000            1.0000000        
F   1
  1      5.1247900000           1.0000000        
F   1
  1      2.6298000000           1.0000000        
F   1
  1      1.4123900000           1.0000000        
F   1
  1      0.81761400000          1.0000000        
F   1
  1      0.48434200000          1.0000000        
F   1
  1      0.24270800000          1.0000000        
G   1
  1     33.833500000            1.0000000        
G   1
  1     11.625000000            1.0000000        
G   1
  1      3.4095300000           1.0000000        
G   1
  1      2.0439800000           1.0000000        
G   1
  1      0.83984700000          1.0000000        
G   1
  1      0.42847100000          1.0000000        
H   1
  1      5.3687700000           1.0000000        
H   1
  1      2.0012700000           1.0000000        
H   1
  1      0.77224500000          1.0000000        
I   1
  1      1.7438500000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Se
data:
SELENIUM
S   1
  1     28.448400000            1.0000000        
S   1
  1     14.626600000            1.0000000        
S   1
  1      8.6686700000           1.0000000        
S   1
  1      3.4152300000           1.0000000        
S   1
  1      1.6538700000           1.0000000        
S   1
  1      0.99213400000          1.0000000        
S   1
  1      0.64988100000          1.0000000        
S   1
  1      0.38659300000          1.0000000        
S   1
  1      0.22979500000          1.0000000        
S   1
  1      0.11816900000          1.0000000        
P   1
  1     26.787800000            1.0000000        
P   1
  1     21.280000000            1.0000000        
P   1
  1     10.769700000            1.0000000        
P   1
  1      4.5791600000           1.0000000        
P   1
  1      2.5252700000           1.0000000        
P   1
  1      1.1923700000           1.0000000        
P   1
  1      0.75749000000          1.0000000        
P   1
  1      0.45807900000          1.0000000        
P   1
  1      0.24348100000          1.0000000        
P   1
  1      0.13143000000          1.0000000        
D   1
  1     32.290600000            1.0000000        
D   1
  1     12.137700000            1.0000000        
D   1
  1      5.6097400000           1.0000000        
D   1
  1      3.0591000000           1.0000000        
D   1
  1      1.2940300000           1.0000000        
D   1
  1      0.78850600000          1.0000000        
D   1
  1      0.49379300000          1.0000000        
D   1
  1      0.31357700000          1.0000000        
D   1
  1      0.14845200000          1.0000000        
F   1
  1     29.425600000            1.0000000        
F   1
  1     12.406000000            1.0000000        
F   1
  1      5.5169900000           1.0000000        
F   1
  1      2.8985900000           1.0000000        
F   1
  1      1.5940700000           1.0000000        
F   1
  1      0.90198100000          1.0000000        
F   1
  1      0.53299500000          1.0000000        
F   1
  1      0.27511200000          1.0000000        
G   1
  1     38.062000000            1.0000000        
G   1
  1     12.988700000            1.0000000        
G   1
  1      3.7138000000           1.0000000        
G   1
  1      2.2127700000           1.0000000        
G   1
  1      0.94984300000          1.0000000        
G   1
  1      0.46730400000          1.0000000        
H   1
  1      5.5034300000           1.0000000        
H   1
  1      2.1453700000           1.0000000        
H   1
  1      0.82810100000          1.0000000        
I   1
  1      1.9087200000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Br
data:
BROMINE
S   1
  1     30.762100000            1.0000000        
S   1
  1     15.650900000            1.0000000        
S   1
  1      9.0214600000           1.0000000        
S   1
  1      3.5729500000           1.0000000        
S   1
  1      1.6978700000           1.0000000        
S   1
  1      1.0012300000           1.0000000        
S   1
  1      0.63974500000          1.0000000        
S   1
  1      0.37479000000          1.0000000        
S   1
  1      0.22446400000          1.0000000        
S   1
  1      0.11833500000          1.0000000        
P   1
  1     28.249100000            1.0000000        
P   1
  1     22.670900000            1.0000000        
P   1
  1     10.699100000            1.0000000        
P   1
  1      4.5723200000           1.0000000        
P   1
  1      2.5657100000           1.0000000        
P   1
  1      1.2510400000           1.0000000        
P   1
  1      0.82268200000          1.0000000        
P   1
  1      0.50865100000          1.0000000        
P   1
  1      0.25842100000          1.0000000        
P   1
  1      0.12400500000          1.0000000        
D   1
  1     34.623400000            1.0000000        
D   1
  1     12.518000000            1.0000000        
D   1
  1      5.5355200000           1.0000000        
D   1
  1      3.1524100000           1.0000000        
D   1
  1      1.3854200000           1.0000000        
D   1
  1      0.80971700000          1.0000000        
D   1
  1      0.48578900000          1.0000000        
D   1
  1      0.31510500000          1.0000000        
D   1
  1      0.15151800000          1.0000000        
F   1
  1     30.958100000            1.0000000        
F   1
  1     13.230100000            1.0000000        
F   1
  1      5.7170500000           1.0000000        
F   1
  1      3.1397600000           1.0000000        
F   1
  1      1.5355600000           1.0000000        
F   1
  1      0.93146700000          1.0000000        
F   1
  1      0.55362300000          1.0000000        
F   1
  1      0.31627800000          1.0000000        
G   1
  1     41.606000000            1.0000000        
G   1
  1     14.366400000            1.0000000        
G   1
  1      3.8265900000           1.0000000        
G   1
  1      2.3993500000           1.0000000        
G   1
  1      1.1096200000           1.0000000        
G   1
  1      0.55207500000          1.0000000        
H   1
  1      5.5930500000           1.0000000        
H   1
  1      2.3476700000           1.0000000        
H   1
  1      0.94710800000          1.0000000        
I   1
  1      2.2140200000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Kr
data:
KRYPTON
S   1
  1     31.957900000            1.0000000        
S   1
  1     17.227000000            1.0000000        
S   1
  1      9.9880900000           1.0000000        
S   1
  1      3.8052900000           1.0000000        
S   1
  1      1.9284200000           1.0000000        
S   1
  1      1.1817200000           1.0000000        
S   1
  1      0.70174500000          1.0000000        
S   1
  1      0.38280500000          1.0000000        
S   1
  1      0.22995100000          1.0000000        
S   1
  1      0.12214500000          1.0000000        
P   1
  1     32.761700000            1.0000000        
P   1
  1     27.216400000            1.0000000        
P   1
  1     10.410100000            1.0000000        
P   1
  1      4.2935300000           1.0000000        
P   1
  1      2.5176900000           1.0000000        
P   1
  1      1.2998500000           1.0000000        
P   1
  1      0.88308300000          1.0000000        
P   1
  1      0.54524100000          1.0000000        
P   1
  1      0.27901200000          1.0000000        
P   1
  1      0.12869000000          1.0000000        
D   1
  1     36.221000000            1.0000000        
D   1
  1     12.972600000            1.0000000        
D   1
  1      5.3419800000           1.0000000        
D   1
  1      3.1717400000           1.0000000        
D   1
  1      1.4720100000           1.0000000        
D   1
  1      0.92086700000          1.0000000        
D   1
  1      0.51824900000          1.0000000        
D   1
  1      0.32381500000          1.0000000        
D   1
  1      0.16143700000          1.0000000        
F   1
  1     33.852500000            1.0000000        
F   1
  1     14.377100000            1.0000000        
F   1
  1      6.1783100000           1.0000000        
F   1
  1      3.4536900000           1.0000000        
F   1
  1      1.6182200000           1.0000000        
F   1
  1      1.0020700000           1.0000000        
F   1
  1      0.60849600000          1.0000000        
F   1
  1      0.35469000000          1.0000000        
G   1
  1     45.167100000            1.0000000        
G   1
  1     15.742700000            1.0000000        
G   1
  1      4.2540200000           1.0000000        
G   1
  1      2.5904400000           1.0000000        
G   1
  1      1.2602100000           1.0000000        
G   1
  1      0.66649700000          1.0000000        
H   1
  1      5.9641000000           1.0000000        
H   1
  1      2.5862000000           1.0000000        
H   1
  1      1.0843200000           1.0000000        
I   1
  1      2.5918500000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Ag
data:
SILVER
S   1
  1     11.451300000            1.0000000        
S   1
  1      7.5554800000           1.0000000        
S   1
  1      5.3637800000           1.0000000        
S   1
  1      3.6214100000           1.0000000        
S   1
  1      1.8570200000           1.0000000        
S   1
  1      0.90620600000          1.0000000        
S   1
  1      0.48571600000          1.0000000        
S   1
  1      0.23066500000          1.0000000        
S   1
  1      0.10546500000          1.0000000        
S   1
  1      0.57126800000E-01            1.0000000        
S   1
  1      0.31132500000E-01            1.0000000        
P   1
  1     11.302300000            1.0000000        
P   1
  1      6.6109600000           1.0000000        
P   1
  1      4.0942800000           1.0000000        
P   1
  1      2.4640100000           1.0000000        
P   1
  1      1.5708300000           1.0000000        
P   1
  1      0.79996200000          1.0000000        
P   1
  1      0.45420900000          1.0000000        
P   1
  1      0.26163600000          1.0000000        
P   1
  1      0.15574900000          1.0000000        
P   1
  1      0.80624000000E-01            1.0000000        
P   1
  1      0.39814600000E-01            1.0000000        
D   1
  1     11.761300000            1.0000000        
D   1
  1      7.7312900000           1.0000000        
D   1
  1      4.9337700000           1.0000000        
D   1
  1      2.2825600000           1.0000000        
D   1
  1      1.4409500000           1.0000000        
D   1
  1      0.75897300000          1.0000000        
D   1
  1      0.38532000000          1.0000000        
D   1
  1      0.22236200000          1.0000000        
D   1
  1      0.12865700000          1.0000000        
D   1
  1      0.73133900000E-01            1.0000000        
F   1
  1      7.7156700000           1.0000000        
F   1
  1      5.5968400000           1.0000000        
F   1
  1      2.9638900000           1.0000000        
F   1
  1      1.8473000000           1.0000000        
F   1
  1      0.89660300000          1.0000000        
F   1
  1      0.50847900000          1.0000000        
F   1
  1      0.22908300000          1.0000000        
F   1
  1      0.12285200000          1.0000000        
G   1
  1     12.937000000            1.0000000        
G   1
  1      5.1849500000           1.0000000        
G   1
  1      3.4413000000           1.0000000        
G   1
  1      1.8246300000           1.0000000        
G   1
  1      1.0796000000           1.0000000        
G   1
  1      0.49266200000          1.0000000        
G   1
  1      0.19617500000          1.0000000        
H   1
  1      6.0589100000           1.0000000        
H   1
  1      4.2546600000           1.0000000        
H   1
  1      2.3806500000           1.0000000        
H   1
  1      1.3690300000           1.0000000        
H   1
  1      0.80171800000          1.0000000        
I   1
  1      4.4436400000           1.0000000        
I   1
  1      2.9251400000           1.0000000        
I   1
  1      1.4801500000           1.0000000        
K   1
  1      4.4024200000           1.0000000        
K   1
  1      2.4919700000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Cd
data:
CADMIUM
S   1
  1     12.694000000            1.0000000        
S   1
  1      8.4281000000           1.0000000        
S   1
  1      6.0308800000           1.0000000        
S   1
  1      4.0250600000           1.0000000        
S   1
  1      2.1001700000           1.0000000        
S   1
  1      1.1394500000           1.0000000        
S   1
  1      0.66655000000          1.0000000        
S   1
  1      0.31347300000          1.0000000        
S   1
  1      0.13348500000          1.0000000        
S   1
  1      0.69517000000E-01            1.0000000        
S   1
  1      0.37132000000E-01            1.0000000        
P   1
  1     13.203000000            1.0000000        
P   1
  1      7.7083600000           1.0000000        
P   1
  1      4.8162800000           1.0000000        
P   1
  1      2.9147700000           1.0000000        
P   1
  1      1.8566700000           1.0000000        
P   1
  1      0.94507200000          1.0000000        
P   1
  1      0.53691200000          1.0000000        
P   1
  1      0.30806300000          1.0000000        
P   1
  1      0.18322500000          1.0000000        
P   1
  1      0.95336300000E-01            1.0000000        
P   1
  1      0.47225700000E-01            1.0000000        
D   1
  1     13.613300000            1.0000000        
D   1
  1      8.7139900000           1.0000000        
D   1
  1      5.3454900000           1.0000000        
D   1
  1      2.6059100000           1.0000000        
D   1
  1      1.7227800000           1.0000000        
D   1
  1      0.92304800000          1.0000000        
D   1
  1      0.46529600000          1.0000000        
D   1
  1      0.26699300000          1.0000000        
D   1
  1      0.15300400000          1.0000000        
D   1
  1      0.86462500000E-01            1.0000000        
F   1
  1      8.7647800000           1.0000000        
F   1
  1      6.2329600000           1.0000000        
F   1
  1      3.3668200000           1.0000000        
F   1
  1      2.1015900000           1.0000000        
F   1
  1      1.0526500000           1.0000000        
F   1
  1      0.61729700000          1.0000000        
F   1
  1      0.27147200000          1.0000000        
F   1
  1      0.14534400000          1.0000000        
G   1
  1     14.707500000            1.0000000        
G   1
  1      5.9106400000           1.0000000        
G   1
  1      3.8883800000           1.0000000        
G   1
  1      2.1637300000           1.0000000        
G   1
  1      1.2298000000           1.0000000        
G   1
  1      0.59020400000          1.0000000        
G   1
  1      0.23823400000          1.0000000        
H   1
  1      7.1685500000           1.0000000        
H   1
  1      4.7700100000           1.0000000        
H   1
  1      2.7723000000           1.0000000        
H   1
  1      1.6926400000           1.0000000        
H   1
  1      0.94126400000          1.0000000        
I   1
  1      5.0982800000           1.0000000        
I   1
  1      3.3196600000           1.0000000        
I   1
  1      1.6684100000           1.0000000        
K   1
  1      5.0955800000           1.0000000        
K   1
  1      2.8889300000           1.0000000        


name: cc-pVQZ-PP-RI
elt: In
data:
INDIUM
S   1
  1     15.632900000            1.0000000        
S   1
  1      9.8547800000           1.0000000        
S   1
  1      6.9066900000           1.0000000        
S   1
  1      4.4709900000           1.0000000        
S   1
  1      2.2169900000           1.0000000        
S   1
  1      1.1372000000           1.0000000        
S   1
  1      0.59101700000          1.0000000        
S   1
  1      0.35619700000          1.0000000        
S   1
  1      0.19818600000          1.0000000        
S   1
  1      0.10804800000          1.0000000        
S   1
  1      0.52155700000E-01            1.0000000        
P   1
  1     13.509600000            1.0000000        
P   1
  1      8.2159600000           1.0000000        
P   1
  1      6.1682600000           1.0000000        
P   1
  1      3.7549500000           1.0000000        
P   1
  1      1.8521600000           1.0000000        
P   1
  1      0.97220100000          1.0000000        
P   1
  1      0.47981700000          1.0000000        
P   1
  1      0.28175900000          1.0000000        
P   1
  1      0.16988400000          1.0000000        
P   1
  1      0.91386600000E-01            1.0000000        
P   1
  1      0.49851300000E-01            1.0000000        
D   1
  1     12.476900000            1.0000000        
D   1
  1      8.5768600000           1.0000000        
D   1
  1      4.1523400000           1.0000000        
D   1
  1      1.6733600000           1.0000000        
D   1
  1      0.89115700000          1.0000000        
D   1
  1      0.45578000000          1.0000000        
D   1
  1      0.26901400000          1.0000000        
D   1
  1      0.14131300000          1.0000000        
D   1
  1      0.62164400000E-01            1.0000000        
F   1
  1      9.6269700000           1.0000000        
F   1
  1      4.1560300000           1.0000000        
F   1
  1      1.3794300000           1.0000000        
F   1
  1      0.79554800000          1.0000000        
F   1
  1      0.43957800000          1.0000000        
F   1
  1      0.26138600000          1.0000000        
F   1
  1      0.12014400000          1.0000000        
G   1
  1      4.8062000000           1.0000000        
G   1
  1      2.0262600000           1.0000000        
G   1
  1      1.0399300000           1.0000000        
G   1
  1      0.48059500000          1.0000000        
G   1
  1      0.23723700000          1.0000000        
H   1
  1      1.9639000000           1.0000000        
H   1
  1      0.89059300000          1.0000000        
H   1
  1      0.44118400000          1.0000000        
I   1
  1      0.95430100000          1.0000000        


name: cc-pVQZ-PP-RI
elt: Sn
data:
TIN
S   1
  1     17.228700000            1.0000000        
S   1
  1     10.870800000            1.0000000        
S   1
  1      7.6179300000           1.0000000        
S   1
  1      4.9256200000           1.0000000        
S   1
  1      2.4387000000           1.0000000        
S   1
  1      1.2750000000           1.0000000        
S   1
  1      0.67130900000          1.0000000        
S   1
  1      0.42035400000          1.0000000        
S   1
  1      0.24500000000          1.0000000        
S   1
  1      0.13697500000          1.0000000        
S   1
  1      0.65363200000E-01            1.0000000        
P   1
  1     14.895400000            1.0000000        
P   1
  1      9.0643900000           1.0000000        
P   1
  1      6.8147600000           1.0000000        
P   1
  1      4.1366300000           1.0000000        
P   1
  1      2.1673900000           1.0000000        
P   1
  1      1.1303300000           1.0000000        
P   1
  1      0.58068400000          1.0000000        
P   1
  1      0.34493300000          1.0000000        
P   1
  1      0.20802400000          1.0000000        
P   1
  1      0.11257300000          1.0000000        
P   1
  1      0.61668400000E-01            1.0000000        
D   1
  1     12.851500000            1.0000000        
D   1
  1      8.8749800000           1.0000000        
D   1
  1      4.3397600000           1.0000000        
D   1
  1      1.7881600000           1.0000000        
D   1
  1      0.97450700000          1.0000000        
D   1
  1      0.54757300000          1.0000000        
D   1
  1      0.31299900000          1.0000000        
D   1
  1      0.17890400000          1.0000000        
D   1
  1      0.77532300000E-01            1.0000000        
F   1
  1      9.8820100000           1.0000000        
F   1
  1      4.5587200000           1.0000000        
F   1
  1      1.8078400000           1.0000000        
F   1
  1      0.98078900000          1.0000000        
F   1
  1      0.55484800000          1.0000000        
F   1
  1      0.32169100000          1.0000000        
F   1
  1      0.15547800000          1.0000000        
G   1
  1      5.1905500000           1.0000000        
G   1
  1      2.0590000000           1.0000000        
G   1
  1      1.1250300000           1.0000000        
G   1
  1      0.53843200000          1.0000000        
G   1
  1      0.28157700000          1.0000000        
H   1
  1      2.0686900000           1.0000000        
H   1
  1      0.93179900000          1.0000000        
H   1
  1      0.51502500000          1.0000000        
I   1
  1      1.0960800000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Sb
data:
ANTIMONY
S   1
  1     18.956700000            1.0000000        
S   1
  1     11.960400000            1.0000000        
S   1
  1      8.3816300000           1.0000000        
S   1
  1      5.4193800000           1.0000000        
S   1
  1      2.6828900000           1.0000000        
S   1
  1      1.5908900000           1.0000000        
S   1
  1      0.79424600000          1.0000000        
S   1
  1      0.50332200000          1.0000000        
S   1
  1      0.29905600000          1.0000000        
S   1
  1      0.17087200000          1.0000000        
S   1
  1      0.81380600000E-01            1.0000000        
P   1
  1     16.470300000            1.0000000        
P   1
  1      9.9975500000           1.0000000        
P   1
  1      7.4913000000           1.0000000        
P   1
  1      4.5460000000           1.0000000        
P   1
  1      2.6790100000           1.0000000        
P   1
  1      1.4307000000           1.0000000        
P   1
  1      0.74575400000          1.0000000        
P   1
  1      0.43609500000          1.0000000        
P   1
  1      0.25486500000          1.0000000        
P   1
  1      0.13616000000          1.0000000        
P   1
  1      0.76326500000E-01            1.0000000        
D   1
  1     13.689200000            1.0000000        
D   1
  1      9.5018900000           1.0000000        
D   1
  1      5.0105700000           1.0000000        
D   1
  1      1.9893700000           1.0000000        
D   1
  1      1.0376700000           1.0000000        
D   1
  1      0.62712900000          1.0000000        
D   1
  1      0.37206300000          1.0000000        
D   1
  1      0.21500600000          1.0000000        
D   1
  1      0.96280300000E-01            1.0000000        
F   1
  1     10.433500000            1.0000000        
F   1
  1      5.1200800000           1.0000000        
F   1
  1      2.0627500000           1.0000000        
F   1
  1      1.2044400000           1.0000000        
F   1
  1      0.64950500000          1.0000000        
F   1
  1      0.38330900000          1.0000000        
F   1
  1      0.18723900000          1.0000000        
G   1
  1      5.5203200000           1.0000000        
G   1
  1      2.2614000000           1.0000000        
G   1
  1      1.1998100000           1.0000000        
G   1
  1      0.60833600000          1.0000000        
G   1
  1      0.32042200000          1.0000000        
H   1
  1      2.2333900000           1.0000000        
H   1
  1      1.0104800000           1.0000000        
H   1
  1      0.55368200000          1.0000000        
I   1
  1      1.2632000000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Te
data:
TELLURIUM
S   1
  1     20.470300000            1.0000000        
S   1
  1     12.917400000            1.0000000        
S   1
  1      9.0534500000           1.0000000        
S   1
  1      5.8539400000           1.0000000        
S   1
  1      2.8973900000           1.0000000        
S   1
  1      1.7052600000           1.0000000        
S   1
  1      0.88090200000          1.0000000        
S   1
  1      0.56710400000          1.0000000        
S   1
  1      0.34224100000          1.0000000        
S   1
  1      0.20029700000          1.0000000        
S   1
  1      0.98424500000E-01            1.0000000        
P   1
  1     17.832600000            1.0000000        
P   1
  1     10.842100000            1.0000000        
P   1
  1      8.1245400000           1.0000000        
P   1
  1      5.0223600000           1.0000000        
P   1
  1      3.2713000000           1.0000000        
P   1
  1      1.7732600000           1.0000000        
P   1
  1      0.90383900000          1.0000000        
P   1
  1      0.51865900000          1.0000000        
P   1
  1      0.30719500000          1.0000000        
P   1
  1      0.16900900000          1.0000000        
P   1
  1      0.95281400000E-01            1.0000000        
D   1
  1     14.816300000            1.0000000        
D   1
  1      9.6020900000           1.0000000        
D   1
  1      5.4786300000           1.0000000        
D   1
  1      2.3515600000           1.0000000        
D   1
  1      1.1598900000           1.0000000        
D   1
  1      0.69616900000          1.0000000        
D   1
  1      0.42207900000          1.0000000        
D   1
  1      0.25464000000          1.0000000        
D   1
  1      0.11929800000          1.0000000        
F   1
  1     10.834000000            1.0000000        
F   1
  1      5.5923200000           1.0000000        
F   1
  1      2.5389700000           1.0000000        
F   1
  1      1.4493200000           1.0000000        
F   1
  1      0.69329900000          1.0000000        
F   1
  1      0.40675100000          1.0000000        
F   1
  1      0.20263700000          1.0000000        
G   1
  1      6.0476100000           1.0000000        
G   1
  1      2.4963300000           1.0000000        
G   1
  1      1.3533200000           1.0000000        
G   1
  1      0.68978500000          1.0000000        
G   1
  1      0.34996500000          1.0000000        
H   1
  1      2.6011900000           1.0000000        
H   1
  1      1.2262100000           1.0000000        
H   1
  1      0.59899500000          1.0000000        
I   1
  1      1.3469000000           1.0000000        


name: cc-pVQZ-PP-RI
elt: I
data:
IODINE
S   1
  1     22.104900000            1.0000000        
S   1
  1     13.947700000            1.0000000        
S   1
  1      9.7746600000           1.0000000        
S   1
  1      6.3201300000           1.0000000        
S   1
  1      3.1289400000           1.0000000        
S   1
  1      1.9388600000           1.0000000        
S   1
  1      1.0577200000           1.0000000        
S   1
  1      0.68743000000          1.0000000        
S   1
  1      0.41211900000          1.0000000        
S   1
  1      0.23941800000          1.0000000        
S   1
  1      0.11815500000          1.0000000        
P   1
  1     19.289200000            1.0000000        
P   1
  1     11.664900000            1.0000000        
P   1
  1      8.7211300000           1.0000000        
P   1
  1      5.5882500000           1.0000000        
P   1
  1      3.6920100000           1.0000000        
P   1
  1      2.2675200000           1.0000000        
P   1
  1      1.1014400000           1.0000000        
P   1
  1      0.63079800000          1.0000000        
P   1
  1      0.37937800000          1.0000000        
P   1
  1      0.21168600000          1.0000000        
P   1
  1      0.11972900000          1.0000000        
D   1
  1     15.359000000            1.0000000        
D   1
  1      9.8716200000           1.0000000        
D   1
  1      5.8744800000           1.0000000        
D   1
  1      2.8855200000           1.0000000        
D   1
  1      1.4212600000           1.0000000        
D   1
  1      0.86862200000          1.0000000        
D   1
  1      0.52420000000          1.0000000        
D   1
  1      0.30978300000          1.0000000        
D   1
  1      0.14257600000          1.0000000        
F   1
  1     11.354500000            1.0000000        
F   1
  1      6.1540400000           1.0000000        
F   1
  1      3.2258900000           1.0000000        
F   1
  1      1.7761000000           1.0000000        
F   1
  1      0.83085900000          1.0000000        
F   1
  1      0.49430200000          1.0000000        
F   1
  1      0.25049500000          1.0000000        
G   1
  1      6.5629800000           1.0000000        
G   1
  1      2.7320300000           1.0000000        
G   1
  1      1.5424400000           1.0000000        
G   1
  1      0.79840700000          1.0000000        
G   1
  1      0.40944000000          1.0000000        
H   1
  1      3.0203700000           1.0000000        
H   1
  1      1.4446100000           1.0000000        
H   1
  1      0.67949900000          1.0000000        
I   1
  1      1.5151600000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Xe
data:
XENON
S   1
  1     23.853400000            1.0000000        
S   1
  1     15.055300000            1.0000000        
S   1
  1     10.556300000            1.0000000        
S   1
  1      6.8301800000           1.0000000        
S   1
  1      3.5802400000           1.0000000        
S   1
  1      2.0831100000           1.0000000        
S   1
  1      1.3413500000           1.0000000        
S   1
  1      0.86037900000          1.0000000        
S   1
  1      0.48044500000          1.0000000        
S   1
  1      0.26300300000          1.0000000        
S   1
  1      0.13074400000          1.0000000        
P   1
  1     20.816600000            1.0000000        
P   1
  1     12.593100000            1.0000000        
P   1
  1      9.4176900000           1.0000000        
P   1
  1      5.8029400000           1.0000000        
P   1
  1      4.0251400000           1.0000000        
P   1
  1      2.5074900000           1.0000000        
P   1
  1      1.3893100000           1.0000000        
P   1
  1      0.77122400000          1.0000000        
P   1
  1      0.45632600000          1.0000000        
P   1
  1      0.25817800000          1.0000000        
P   1
  1      0.14869800000          1.0000000        
D   1
  1     16.234200000            1.0000000        
D   1
  1     10.531100000            1.0000000        
D   1
  1      6.3700500000           1.0000000        
D   1
  1      3.5421700000           1.0000000        
D   1
  1      1.7648600000           1.0000000        
D   1
  1      1.0644400000           1.0000000        
D   1
  1      0.62243600000          1.0000000        
D   1
  1      0.36303800000          1.0000000        
D   1
  1      0.16931000000          1.0000000        
F   1
  1     12.209000000            1.0000000        
F   1
  1      6.5927000000           1.0000000        
F   1
  1      3.9588600000           1.0000000        
F   1
  1      2.1215200000           1.0000000        
F   1
  1      0.98989300000          1.0000000        
F   1
  1      0.60296600000          1.0000000        
F   1
  1      0.30513400000          1.0000000        
G   1
  1      7.2266400000           1.0000000        
G   1
  1      3.1293900000           1.0000000        
G   1
  1      1.8470400000           1.0000000        
G   1
  1      0.90345500000          1.0000000        
G   1
  1      0.48490800000          1.0000000        
H   1
  1      3.7362400000           1.0000000        
H   1
  1      1.8119700000           1.0000000        
H   1
  1      0.76957400000          1.0000000        
I   1
  1      1.7213500000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Au
data:
GOLD
S   1
  1     10.740700000            1.0000000        
S   1
  1      7.2688400000           1.0000000        
S   1
  1      5.2858700000           1.0000000        
S   1
  1      3.6578000000           1.0000000        
S   1
  1      2.0130600000           1.0000000        
S   1
  1      1.1281500000           1.0000000        
S   1
  1      0.64080300000          1.0000000        
S   1
  1      0.27990500000          1.0000000        
S   1
  1      0.11332600000          1.0000000        
S   1
  1      0.58711900000E-01            1.0000000        
S   1
  1      0.31569900000E-01            1.0000000        
P   1
  1      9.6393800000           1.0000000        
P   1
  1      5.6767600000           1.0000000        
P   1
  1      3.8064900000           1.0000000        
P   1
  1      2.5429200000           1.0000000        
P   1
  1      1.6744900000           1.0000000        
P   1
  1      0.82040600000          1.0000000        
P   1
  1      0.47411500000          1.0000000        
P   1
  1      0.26782900000          1.0000000        
P   1
  1      0.15718700000          1.0000000        
P   1
  1      0.80671700000E-01            1.0000000        
P   1
  1      0.39754000000E-01            1.0000000        
D   1
  1     10.596000000            1.0000000        
D   1
  1      6.4838400000           1.0000000        
D   1
  1      3.9985700000           1.0000000        
D   1
  1      2.2398700000           1.0000000        
D   1
  1      1.5630100000           1.0000000        
D   1
  1      0.81551300000          1.0000000        
D   1
  1      0.41862600000          1.0000000        
D   1
  1      0.23292300000          1.0000000        
D   1
  1      0.13106600000          1.0000000        
D   1
  1      0.73509200000E-01            1.0000000        
F   1
  1      5.8530200000           1.0000000        
F   1
  1      3.9692700000           1.0000000        
F   1
  1      2.6643600000           1.0000000        
F   1
  1      1.5769900000           1.0000000        
F   1
  1      0.92442200000          1.0000000        
F   1
  1      0.49498700000          1.0000000        
F   1
  1      0.25277400000          1.0000000        
F   1
  1      0.13030200000          1.0000000        
G   1
  1     10.920300000            1.0000000        
G   1
  1      4.5124600000           1.0000000        
G   1
  1      3.2752500000           1.0000000        
G   1
  1      1.7978600000           1.0000000        
G   1
  1      0.92965500000          1.0000000        
G   1
  1      0.46773000000          1.0000000        
G   1
  1      0.21650600000          1.0000000        
H   1
  1      5.8152300000           1.0000000        
H   1
  1      3.8979500000           1.0000000        
H   1
  1      2.4139800000           1.0000000        
H   1
  1      1.3658700000           1.0000000        
H   1
  1      0.61709800000          1.0000000        
I   1
  1      3.0376300000           1.0000000        
I   1
  1      2.0221200000           1.0000000        
I   1
  1      1.0885100000           1.0000000        
K   1
  1      3.4908100000           1.0000000        
K   1
  1      1.8847600000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Hg
data:
MERCURY
S   1
  1     12.997600000            1.0000000        
S   1
  1      8.2068100000           1.0000000        
S   1
  1      5.6497400000           1.0000000        
S   1
  1      3.8572200000           1.0000000        
S   1
  1      2.2690900000           1.0000000        
S   1
  1      1.2752600000           1.0000000        
S   1
  1      0.72288500000          1.0000000        
S   1
  1      0.34353600000          1.0000000        
S   1
  1      0.14135300000          1.0000000        
S   1
  1      0.71478800000E-01            1.0000000        
S   1
  1      0.37404100000E-01            1.0000000        
P   1
  1     11.273700000            1.0000000        
P   1
  1      6.7369500000           1.0000000        
P   1
  1      4.5641300000           1.0000000        
P   1
  1      3.0330300000           1.0000000        
P   1
  1      1.9881900000           1.0000000        
P   1
  1      0.99853200000          1.0000000        
P   1
  1      0.56951100000          1.0000000        
P   1
  1      0.31871100000          1.0000000        
P   1
  1      0.18496300000          1.0000000        
P   1
  1      0.94862900000E-01            1.0000000        
P   1
  1      0.46846800000E-01            1.0000000        
D   1
  1     12.025800000            1.0000000        
D   1
  1      7.1421300000           1.0000000        
D   1
  1      4.3584200000           1.0000000        
D   1
  1      2.5292400000           1.0000000        
D   1
  1      1.7534300000           1.0000000        
D   1
  1      0.92418100000          1.0000000        
D   1
  1      0.51953900000          1.0000000        
D   1
  1      0.29526300000          1.0000000        
D   1
  1      0.15877800000          1.0000000        
D   1
  1      0.86696500000E-01            1.0000000        
F   1
  1      6.8488800000           1.0000000        
F   1
  1      4.4486600000           1.0000000        
F   1
  1      3.1755500000           1.0000000        
F   1
  1      1.9165300000           1.0000000        
F   1
  1      1.0813500000           1.0000000        
F   1
  1      0.57171100000          1.0000000        
F   1
  1      0.31834000000          1.0000000        
F   1
  1      0.16079500000          1.0000000        
G   1
  1     14.102900000            1.0000000        
G   1
  1      5.3442000000           1.0000000        
G   1
  1      3.6269900000           1.0000000        
G   1
  1      2.0753800000           1.0000000        
G   1
  1      1.0357100000           1.0000000        
G   1
  1      0.60361000000          1.0000000        
G   1
  1      0.25267200000          1.0000000        
H   1
  1      6.8087500000           1.0000000        
H   1
  1      4.7189400000           1.0000000        
H   1
  1      2.8548800000           1.0000000        
H   1
  1      1.5470700000           1.0000000        
H   1
  1      0.71701200000          1.0000000        
I   1
  1      3.3561900000           1.0000000        
I   1
  1      2.3132300000           1.0000000        
I   1
  1      1.2603800000           1.0000000        
K   1
  1      4.3130900000           1.0000000        
K   1
  1      2.1283100000           1.0000000        


name: cc-pVQZ-PP-RI
elt: Tl
data:
THALLIUM
S   1
  1     10.688900000            1.0000000        
S   1
  1      8.4194300000           1.0000000        
S   1
  1      6.3905900000           1.0000000        
S   1
  1      3.7307500000           1.0000000        
S   1
  1      1.7840900000           1.0000000        
S   1
  1      0.69297500000          1.0000000        
S   1
  1      0.45718300000          1.0000000        
S   1
  1      0.30732800000          1.0000000        
S   1
  1      0.16952500000          1.0000000        
S   1
  1      0.10019700000          1.0000000        
S   1
  1      0.43859400000E-01            1.0000000        
P   1
  1     12.312400000            1.0000000        
P   1
  1     10.015300000            1.0000000        
P   1
  1      7.9146600000           1.0000000        
P   1
  1      4.5571100000           1.0000000        
P   1
  1      2.0249600000           1.0000000        
P   1
  1      1.1424000000           1.0000000        
P   1
  1      0.61235000000          1.0000000        
P   1
  1      0.38663400000          1.0000000        
P   1
  1      0.24582100000          1.0000000        
P   1
  1      0.13665800000          1.0000000        
P   1
  1      0.75494900000E-01            1.0000000        
D   1
  1      9.8785500000           1.0000000        
D   1
  1      7.0045700000           1.0000000        
D   1
  1      3.5140300000           1.0000000        
D   1
  1      1.4695700000           1.0000000        
D   1
  1      0.89183200000          1.0000000        
D   1
  1      0.43265400000          1.0000000        
D   1
  1      0.23926600000          1.0000000        
D   1
  1      0.15560800000          1.0000000        
D   1
  1      0.80195800000E-01            1.0000000        
F   1
  1      5.0224300000           1.0000000        
F   1
  1      3.8713700000           1.0000000        
F   1
  1      1.7254300000           1.0000000        
F   1
  1      0.52396100000          1.0000000        
F   1
  1      0.85357300000          1.0000000        
F   1
  1      0.27317100000          1.0000000        
F   1
  1      0.12012400000          1.0000000        
G   1
  1      2.6743200000           1.0000000        
G   1
  1      1.7888200000           1.0000000        
G   1
  1      0.66407500000          1.0000000        
G   1
  1      0.50671100000          1.0000000        
G   1
  1      0.24160400000          1.0000000        
H   1
  1      1.8486800000           1.0000000        
H   1
  1      0.89514300000          1.0000000        
H   1
  1      0.44801200000          1.0000000        
I   1
  1      1.5706700000           1.0000000        
I   1
  1      0.73927600000          1.0000000        


name: cc-pVQZ-PP-RI
elt: Pb
data:
LEAD
S   1
  1     10.707800000            1.0000000        
S   1
  1      8.4249800000           1.0000000        
S   1
  1      6.3625800000           1.0000000        
S   1
  1      3.6864400000           1.0000000        
S   1
  1      1.7651500000           1.0000000        
S   1
  1      0.70050500000          1.0000000        
S   1
  1      0.45728700000          1.0000000        
S   1
  1      0.30730300000          1.0000000        
S   1
  1      0.16952700000          1.0000000        
S   1
  1      0.10024500000          1.0000000        
S   1
  1      0.43867500000E-01            1.0000000        
P   1
  1     12.304900000            1.0000000        
P   1
  1     10.011500000            1.0000000        
P   1
  1      7.9146800000           1.0000000        
P   1
  1      4.5804200000           1.0000000        
P   1
  1      2.0223400000           1.0000000        
P   1
  1      1.1420900000           1.0000000        
P   1
  1      0.60957300000          1.0000000        
P   1
  1      0.38845500000          1.0000000        
P   1
  1      0.25003900000          1.0000000        
P   1
  1      0.13468800000          1.0000000        
P   1
  1      0.72469900000E-01            1.0000000        
D   1
  1     10.162800000            1.0000000        
D   1
  1      7.1847800000           1.0000000        
D   1
  1      3.7987100000           1.0000000        
D   1
  1      1.6999700000           1.0000000        
D   1
  1      1.0074000000           1.0000000        
D   1
  1      0.50349600000          1.0000000        
D   1
  1      0.28857400000          1.0000000        
D   1
  1      0.17743500000          1.0000000        
D   1
  1      0.90102800000E-01            1.0000000        
F   1
  1      5.3828100000           1.0000000        
F   1
  1      4.0450600000           1.0000000        
F   1
  1      1.7761700000           1.0000000        
F   1
  1      0.53895200000          1.0000000        
F   1
  1      0.90901100000          1.0000000        
F   1
  1      0.28901100000          1.0000000        
F   1
  1      0.14319700000          1.0000000        
G   1
  1      2.9109000000           1.0000000        
G   1
  1      1.8900000000           1.0000000        
G   1
  1      0.74511200000          1.0000000        
G   1
  1      0.54302600000          1.0000000        
G   1
  1      0.27015300000          1.0000000        
H   1
  1      2.0266400000           1.0000000        
H   1
  1      0.98754700000          1.0000000        
H   1
  1      0.49566700000          1.0000000        
I   1
  1      1.6812100000           1.0000000        
I   1
  1      0.80261200000          1.0000000        


name: cc-pVQZ-PP-RI
elt: Bi
data:
BISMUTH
S   1
  1     11.518200000            1.0000000        
S   1
  1      8.9961100000           1.0000000        
S   1
  1      6.6858500000           1.0000000        
S   1
  1      3.7213700000           1.0000000        
S   1
  1      1.7708300000           1.0000000        
S   1
  1      0.75800500000          1.0000000        
S   1
  1      0.50095600000          1.0000000        
S   1
  1      0.32617300000          1.0000000        
S   1
  1      0.16254800000          1.0000000        
S   1
  1      0.91980300000E-01            1.0000000        
S   1
  1      0.42489400000E-01            1.0000000        
P   1
  1     11.949000000            1.0000000        
P   1
  1      9.6500200000           1.0000000        
P   1
  1      7.5978700000           1.0000000        
P   1
  1      4.4577300000           1.0000000        
P   1
  1      2.0260800000           1.0000000        
P   1
  1      1.1554200000           1.0000000        
P   1
  1      0.63689600000          1.0000000        
P   1
  1      0.41492500000          1.0000000        
P   1
  1      0.26769300000          1.0000000        
P   1
  1      0.13779500000          1.0000000        
P   1
  1      0.67288000000E-01            1.0000000        
D   1
  1     10.490000000            1.0000000        
D   1
  1      7.4026300000           1.0000000        
D   1
  1      4.1663000000           1.0000000        
D   1
  1      1.9728600000           1.0000000        
D   1
  1      1.1331000000           1.0000000        
D   1
  1      0.66748700000          1.0000000        
D   1
  1      0.39604200000          1.0000000        
D   1
  1      0.21669800000          1.0000000        
D   1
  1      0.10393600000          1.0000000        
F   1
  1      5.7218300000           1.0000000        
F   1
  1      4.3997900000           1.0000000        
F   1
  1      2.1928200000           1.0000000        
F   1
  1      0.67217200000          1.0000000        
F   1
  1      1.1397800000           1.0000000        
F   1
  1      0.38692900000          1.0000000        
F   1
  1      0.19329400000          1.0000000        
G   1
  1      3.2124800000           1.0000000        
G   1
  1      1.8576600000           1.0000000        
G   1
  1      0.95638200000          1.0000000        
G   1
  1      0.63324100000          1.0000000        
G   1
  1      0.32337400000          1.0000000        
H   1
  1      2.2211400000           1.0000000        
H   1
  1      1.1174400000           1.0000000        
H   1
  1      0.55727800000          1.0000000        
I   1
  1      1.7276300000           1.0000000        
I   1
  1      0.85420200000          1.0000000        


name: cc-pVQZ-PP-RI
elt: Po
data:
POLONIUM
S   1
  1     11.128500000            1.0000000        
S   1
  1      8.8966800000           1.0000000        
S   1
  1      6.8338300000           1.0000000        
S   1
  1      3.9338700000           1.0000000        
S   1
  1      1.8441600000           1.0000000        
S   1
  1      0.83321100000          1.0000000        
S   1
  1      0.57196800000          1.0000000        
S   1
  1      0.37604500000          1.0000000        
S   1
  1      0.17710800000          1.0000000        
S   1
  1      0.95314500000E-01            1.0000000        
S   1
  1      0.42664300000E-01            1.0000000        
P   1
  1     12.372600000            1.0000000        
P   1
  1     10.196900000            1.0000000        
P   1
  1      8.1626300000           1.0000000        
P   1
  1      4.7070100000           1.0000000        
P   1
  1      2.0142000000           1.0000000        
P   1
  1      1.1304800000           1.0000000        
P   1
  1      0.64090900000          1.0000000        
P   1
  1      0.43540900000          1.0000000        
P   1
  1      0.28967000000          1.0000000        
P   1
  1      0.14844600000          1.0000000        
P   1
  1      0.68069600000E-01            1.0000000        
D   1
  1     10.623300000            1.0000000        
D   1
  1      7.7556000000           1.0000000        
D   1
  1      4.4494500000           1.0000000        
D   1
  1      2.0059600000           1.0000000        
D   1
  1      1.1306300000           1.0000000        
D   1
  1      0.65132100000          1.0000000        
D   1
  1      0.40639400000          1.0000000        
D   1
  1      0.23640200000          1.0000000        
D   1
  1      0.11248000000          1.0000000        
F   1
  1      5.9416900000           1.0000000        
F   1
  1      4.6107800000           1.0000000        
F   1
  1      2.0375700000           1.0000000        
F   1
  1      0.64916300000          1.0000000        
F   1
  1      1.1426100000           1.0000000        
F   1
  1      0.36883900000          1.0000000        
F   1
  1      0.19515600000          1.0000000        
G   1
  1      3.3595200000           1.0000000        
G   1
  1      1.9991600000           1.0000000        
G   1
  1      0.91869600000          1.0000000        
G   1
  1      0.61723300000          1.0000000        
G   1
  1      0.31581400000          1.0000000        
H   1
  1      2.2021200000           1.0000000        
H   1
  1      1.1043000000           1.0000000        
H   1
  1      0.56482100000          1.0000000        
I   1
  1      1.7280000000           1.0000000        
I   1
  1      0.85200100000          1.0000000        


name: cc-pVQZ-PP-RI
elt: At
data:
ASTATINE
S   1
  1     11.210100000            1.0000000        
S   1
  1      9.1311200000           1.0000000        
S   1
  1      7.3055400000           1.0000000        
S   1
  1      4.3825100000           1.0000000        
S   1
  1      1.9439500000           1.0000000        
S   1
  1      0.90232400000          1.0000000        
S   1
  1      0.64366500000          1.0000000        
S   1
  1      0.43531700000          1.0000000        
S   1
  1      0.20041400000          1.0000000        
S   1
  1      0.10187800000          1.0000000        
S   1
  1      0.42888900000E-01            1.0000000        
P   1
  1     12.724100000            1.0000000        
P   1
  1     10.685400000            1.0000000        
P   1
  1      8.6577000000           1.0000000        
P   1
  1      4.8022200000           1.0000000        
P   1
  1      2.1487200000           1.0000000        
P   1
  1      1.1836000000           1.0000000        
P   1
  1      0.64880300000          1.0000000        
P   1
  1      0.45031700000          1.0000000        
P   1
  1      0.30665100000          1.0000000        
P   1
  1      0.16005200000          1.0000000        
P   1
  1      0.68813500000E-01            1.0000000        
D   1
  1     10.800100000            1.0000000        
D   1
  1      8.0760700000           1.0000000        
D   1
  1      4.6998800000           1.0000000        
D   1
  1      2.1288000000           1.0000000        
D   1
  1      1.1808300000           1.0000000        
D   1
  1      0.71078300000          1.0000000        
D   1
  1      0.46518500000          1.0000000        
D   1
  1      0.27430200000          1.0000000        
D   1
  1      0.12500300000          1.0000000        
F   1
  1      6.5154500000           1.0000000        
F   1
  1      5.1668100000           1.0000000        
F   1
  1      1.8819000000           1.0000000        
F   1
  1      0.69309800000          1.0000000        
F   1
  1      1.1018900000           1.0000000        
F   1
  1      0.43334700000          1.0000000        
F   1
  1      0.22946500000          1.0000000        
G   1
  1      3.5781900000           1.0000000        
G   1
  1      2.1318700000           1.0000000        
G   1
  1      0.98815900000          1.0000000        
G   1
  1      0.66737800000          1.0000000        
G   1
  1      0.36063200000          1.0000000        
H   1
  1      2.2764300000           1.0000000        
H   1
  1      1.1572300000           1.0000000        
H   1
  1      0.61491500000          1.0000000        
I   1
  1      1.8018400000           1.0000000        
I   1
  1      0.90143400000          1.0000000        


name: cc-pVQZ-PP-RI
elt: Rn
data:
RADON
S   1
  1     11.139600000            1.0000000        
S   1
  1      9.3006700000           1.0000000        
S   1
  1      7.6390400000           1.0000000        
S   1
  1      4.7359100000           1.0000000        
S   1
  1      2.0062400000           1.0000000        
S   1
  1      0.95381400000          1.0000000        
S   1
  1      0.69588700000          1.0000000        
S   1
  1      0.47960900000          1.0000000        
S   1
  1      0.22201200000          1.0000000        
S   1
  1      0.10919600000          1.0000000        
S   1
  1      0.43289700000E-01            1.0000000        
P   1
  1     12.932700000            1.0000000        
P   1
  1     11.028600000            1.0000000        
P   1
  1      9.0479800000           1.0000000        
P   1
  1      4.8598000000           1.0000000        
P   1
  1      2.2680700000           1.0000000        
P   1
  1      1.2683900000           1.0000000        
P   1
  1      0.69195700000          1.0000000        
P   1
  1      0.47488500000          1.0000000        
P   1
  1      0.31875100000          1.0000000        
P   1
  1      0.16643700000          1.0000000        
P   1
  1      0.69370800000E-01            1.0000000        
D   1
  1     10.926100000            1.0000000        
D   1
  1      8.4791700000           1.0000000        
D   1
  1      4.9696000000           1.0000000        
D   1
  1      2.2671300000           1.0000000        
D   1
  1      1.2493200000           1.0000000        
D   1
  1      0.72777600000          1.0000000        
D   1
  1      0.50028300000          1.0000000        
D   1
  1      0.30618800000          1.0000000        
D   1
  1      0.13837600000          1.0000000        
F   1
  1      7.0847900000           1.0000000        
F   1
  1      5.6765800000           1.0000000        
F   1
  1      1.9699000000           1.0000000        
F   1
  1      0.68716600000          1.0000000        
F   1
  1      1.0767100000           1.0000000        
F   1
  1      0.46882600000          1.0000000        
F   1
  1      0.27023900000          1.0000000        
G   1
  1      3.8082400000           1.0000000        
G   1
  1      2.2885100000           1.0000000        
G   1
  1      1.0357100000           1.0000000        
G   1
  1      0.70800700000          1.0000000        
G   1
  1      0.41411100000          1.0000000        
H   1
  1      2.4527600000           1.0000000        
H   1
  1      1.2444600000           1.0000000        
H   1
  1      0.67633000000          1.0000000        
I   1
  1      1.9368900000           1.0000000        
I   1
  1      0.96977300000          1.0000000        


name: cc-pVTZ MP2 Fitting
description: MP2 auxiliary basis to be used with cc-pVTZ-NR AO basis
elt: Sc
data:
SCANDIUM
S   1
  1   1829.8472725              1.0000000        
S   1
  1   1014.5998532              1.0000000        
S   1
  1    464.75014628             1.0000000        
S   1
  1    187.71793715             1.0000000        
S   1
  1     85.217864528            1.0000000        
S   1
  1     38.122672951            1.0000000        
S   1
  1     14.570352281            1.0000000        
S   1
  1      4.6802890941           1.0000000        
S   1
  1      2.1837636126           1.0000000        
S   1
  1      1.1633411911           1.0000000        
S   1
  1      0.68824183282          1.0000000        
S   1
  1      0.28329536366          1.0000000        
S   1
  1      0.10656849438          1.0000000        
P   1
  1    602.22668186             1.0000000        
P   1
  1    173.66433293             1.0000000        
P   1
  1     54.076660902            1.0000000        
P   1
  1     17.158476237            1.0000000        
P   1
  1      7.6281725599           1.0000000        
P   1
  1      3.9933392513           1.0000000        
P   1
  1      1.9524625328           1.0000000        
P   1
  1      0.91138071636          1.0000000        
P   1
  1      0.53877189485          1.0000000        
P   1
  1      0.20869421802          1.0000000        
P   1
  1      0.52023409279E-01            1.0000000        
D   1
  1    141.56435533             1.0000000        
D   1
  1     42.922985014            1.0000000        
D   1
  1     19.315130364            1.0000000        
D   1
  1      9.8063419055           1.0000000        
D   1
  1      4.9410918076           1.0000000        
D   1
  1      2.2547827196           1.0000000        
D   1
  1      0.90641814399          1.0000000        
D   1
  1      0.56772640211          1.0000000        
D   1
  1      0.13917743520          1.0000000        
F   1
  1     56.267324990            1.0000000        
F   1
  1     19.333872458            1.0000000        
F   1
  1      8.0028533629           1.0000000        
F   1
  1      2.3052739283           1.0000000        
F   1
  1      0.87481246870          1.0000000        
F   1
  1      0.29131080894          1.0000000        
F   1
  1      0.86186796794E-01            1.0000000        
G   1
  1     19.238097931            1.0000000        
G   1
  1      6.5909818935           1.0000000        
G   1
  1      1.5362382229           1.0000000        
G   1
  1      0.71257610485          1.0000000        
G   1
  1      0.18242360359          1.0000000        
H   1
  1      1.6143625864           1.0000000        
H   1
  1      0.68362536106          1.0000000        
H   1
  1      0.32242563247          1.0000000        
I   1
  1      2.1919979086           1.0000000        
I   1
  1      0.60100991162          1.0000000        


name: cc-pVTZ MP2 Fitting
description: MP2 auxiliary basis to be used with cc-pVTZ-NR AO basis
elt: Ti
data:
TITANIUM
S   1
  1   2011.9066412              1.0000000        
S   1
  1   1104.5925191              1.0000000        
S   1
  1    501.52892079             1.0000000        
S   1
  1    198.82129054             1.0000000        
S   1
  1     87.949851618            1.0000000        
S   1
  1     38.006700541            1.0000000        
S   1
  1     15.589286281            1.0000000        
S   1
  1      6.2114530346           1.0000000        
S   1
  1      2.2715198503           1.0000000        
S   1
  1      1.1326943639           1.0000000        
S   1
  1      0.84256462027          1.0000000        
S   1
  1      0.43933142301          1.0000000        
S   1
  1      0.11487026100          1.0000000        
P   1
  1    653.50526072             1.0000000        
P   1
  1    181.34510870             1.0000000        
P   1
  1     53.097144033            1.0000000        
P   1
  1     18.470020842            1.0000000        
P   1
  1      8.6190472664           1.0000000        
P   1
  1      4.6284801257           1.0000000        
P   1
  1      2.1806016063           1.0000000        
P   1
  1      1.0472854352           1.0000000        
P   1
  1      0.67518364376          1.0000000        
P   1
  1      0.41511936163          1.0000000        
P   1
  1      0.23513285971          1.0000000        
D   1
  1    151.15346939             1.0000000        
D   1
  1     44.403861266            1.0000000        
D   1
  1     19.913517367            1.0000000        
D   1
  1      9.6867178486           1.0000000        
D   1
  1      3.4627879839           1.0000000        
D   1
  1      1.3372751911           1.0000000        
D   1
  1      0.60651598904          1.0000000        
D   1
  1      0.28910456091          1.0000000        
D   1
  1      0.13725002731          1.0000000        
F   1
  1     54.689306607            1.0000000        
F   1
  1     19.156521392            1.0000000        
F   1
  1      5.2515519747           1.0000000        
F   1
  1      1.8814051136           1.0000000        
F   1
  1      0.88125804541          1.0000000        
F   1
  1      0.34710227296          1.0000000        
F   1
  1      0.10573171094          1.0000000        
G   1
  1      6.7255981484           1.0000000        
G   1
  1      2.1642956496           1.0000000        
G   1
  1      0.87804282010          1.0000000        
G   1
  1      0.33042456522          1.0000000        
G   1
  1      0.10206746880          1.0000000        
H   1
  1      1.8889436573           1.0000000        
H   1
  1      0.64806252974          1.0000000        
H   1
  1      0.16923636085          1.0000000        
I   1
  1      1.3065905108           1.0000000        
I   1
  1      0.37156418273          1.0000000        


name: cc-pVTZ MP2 Fitting
description: MP2 auxiliary basis to be used with cc-pVTZ-NR AO basis
elt: V
data:
VANADIUM
S   1
  1   1999.1517102              1.0000000        
S   1
  1   1098.3672708              1.0000000        
S   1
  1    498.69035035             1.0000000        
S   1
  1    198.24992801             1.0000000        
S   1
  1     87.812831243            1.0000000        
S   1
  1     37.934533211            1.0000000        
S   1
  1     13.932130036            1.0000000        
S   1
  1      6.1097100387           1.0000000        
S   1
  1      2.5102322787           1.0000000        
S   1
  1      0.98175116638          1.0000000        
S   1
  1      0.73117732429          1.0000000        
S   1
  1      0.41731626602          1.0000000        
S   1
  1      0.15841784317          1.0000000        
P   1
  1    651.00621166             1.0000000        
P   1
  1    180.70274759             1.0000000        
P   1
  1     47.803522888            1.0000000        
P   1
  1     17.967844084            1.0000000        
P   1
  1      8.1556982837           1.0000000        
P   1
  1      3.0801738267           1.0000000        
P   1
  1      1.7597709229           1.0000000        
P   1
  1      0.72858148128          1.0000000        
P   1
  1      0.42157340999          1.0000000        
P   1
  1      0.25470826239          1.0000000        
P   1
  1      0.15855795258          1.0000000        
D   1
  1    149.91331425             1.0000000        
D   1
  1     45.009060897            1.0000000        
D   1
  1     20.090279142            1.0000000        
D   1
  1      9.8371229633           1.0000000        
D   1
  1      4.4510148235           1.0000000        
D   1
  1      2.0936462105           1.0000000        
D   1
  1      1.0968172701           1.0000000        
D   1
  1      0.55802192103          1.0000000        
D   1
  1      0.22110527441          1.0000000        
F   1
  1     32.556766391            1.0000000        
F   1
  1      5.8466546255           1.0000000        
F   1
  1      2.9790522477           1.0000000        
F   1
  1      1.4797121767           1.0000000        
F   1
  1      0.73288454349          1.0000000        
F   1
  1      0.39603903546          1.0000000        
F   1
  1      0.18615713838          1.0000000        
G   1
  1      9.2392096162           1.0000000        
G   1
  1      3.2410922444           1.0000000        
G   1
  1      1.7129748653           1.0000000        
G   1
  1      0.86407642726          1.0000000        
G   1
  1      0.30823050688          1.0000000        
H   1
  1      3.9006128422           1.0000000        
H   1
  1      1.9540505711           1.0000000        
H   1
  1      0.72873837683          1.0000000        
I   1
  1      3.7572341040           1.0000000        
I   1
  1      1.6893903579           1.0000000        


name: cc-pVTZ MP2 Fitting
description: MP2 auxiliary basis to be used with cc-pVTZ-NR AO basis
elt: Cr
data:
CHROMIUM
S   1
  1   1996.0245415              1.0000000        
S   1
  1   1094.0991353              1.0000000        
S   1
  1    495.54456954             1.0000000        
S   1
  1    193.47319007             1.0000000        
S   1
  1     78.788354198            1.0000000        
S   1
  1     28.892517176            1.0000000        
S   1
  1      7.0388689043           1.0000000        
S   1
  1      3.6117463668           1.0000000        
S   1
  1      2.1065692706           1.0000000        
S   1
  1      1.2441660223           1.0000000        
S   1
  1      0.72921808583          1.0000000        
S   1
  1      0.26223031955          1.0000000        
S   1
  1      0.10849991762          1.0000000        
P   1
  1    651.77308561             1.0000000        
P   1
  1    181.54143705             1.0000000        
P   1
  1     49.867490690            1.0000000        
P   1
  1     17.702377542            1.0000000        
P   1
  1      6.6899141094           1.0000000        
P   1
  1      3.8695287037           1.0000000        
P   1
  1      2.1431880141           1.0000000        
P   1
  1      0.76784314715          1.0000000        
P   1
  1      0.43921581212          1.0000000        
P   1
  1      0.14113906362          1.0000000        
P   1
  1      0.10423312839          1.0000000        
D   1
  1    148.96135516             1.0000000        
D   1
  1     45.300763213            1.0000000        
D   1
  1     20.152820468            1.0000000        
D   1
  1      9.7390140577           1.0000000        
D   1
  1      4.0470053263           1.0000000        
D   1
  1      1.8773183206           1.0000000        
D   1
  1      1.0156992243           1.0000000        
D   1
  1      0.33712550265          1.0000000        
D   1
  1      0.13213888775          1.0000000        
F   1
  1     33.015166457            1.0000000        
F   1
  1      6.4363111510           1.0000000        
F   1
  1      2.9872371148           1.0000000        
F   1
  1      1.4390132413           1.0000000        
F   1
  1      0.59549162113          1.0000000        
F   1
  1      0.30444860073          1.0000000        
F   1
  1      0.16074785985          1.0000000        
G   1
  1     10.631992391            1.0000000        
G   1
  1      3.5276777857           1.0000000        
G   1
  1      1.5376729379           1.0000000        
G   1
  1      0.52429755680          1.0000000        
G   1
  1      0.19775344682          1.0000000        
H   1
  1      5.0522246217           1.0000000        
H   1
  1      2.6099940383           1.0000000        
H   1
  1      0.93711500204          1.0000000        
I   1
  1      4.2145842874           1.0000000        
I   1
  1      2.0735908147           1.0000000        


name: cc-pVTZ MP2 Fitting
description: MP2 auxiliary basis to be used with cc-pVTZ-NR AO basis
elt: Mn
data:
MANGANESE
S   1
  1   2000.4616865              1.0000000        
S   1
  1   1097.6006069              1.0000000        
S   1
  1    497.71469202             1.0000000        
S   1
  1    197.13496664             1.0000000        
S   1
  1     86.179293011            1.0000000        
S   1
  1     34.648062964            1.0000000        
S   1
  1     12.288925546            1.0000000        
S   1
  1      4.7859076838           1.0000000        
S   1
  1      2.8980320869           1.0000000        
S   1
  1      1.2672092485           1.0000000        
S   1
  1      0.43147158159          1.0000000        
S   1
  1      0.30953363420          1.0000000        
S   1
  1      0.10795630572          1.0000000        
P   1
  1    651.64853397             1.0000000        
P   1
  1    185.89656740             1.0000000        
P   1
  1     55.494307203            1.0000000        
P   1
  1     17.007345449            1.0000000        
P   1
  1      7.8545914944           1.0000000        
P   1
  1      4.0693615180           1.0000000        
P   1
  1      2.1930005530           1.0000000        
P   1
  1      1.1136786195           1.0000000        
P   1
  1      0.46456028278          1.0000000        
P   1
  1      0.18463771363          1.0000000        
P   1
  1      0.11182088775          1.0000000        
D   1
  1    147.42678010             1.0000000        
D   1
  1     44.777473676            1.0000000        
D   1
  1     19.899090641            1.0000000        
D   1
  1      9.2299865350           1.0000000        
D   1
  1      3.4457137607           1.0000000        
D   1
  1      1.6961745671           1.0000000        
D   1
  1      0.69311771891          1.0000000        
D   1
  1      0.33761617923          1.0000000        
D   1
  1      0.15131281024          1.0000000        
F   1
  1     36.788058815            1.0000000        
F   1
  1      7.4250181295           1.0000000        
F   1
  1      3.5646486839           1.0000000        
F   1
  1      1.7291531991           1.0000000        
F   1
  1      0.72995745042          1.0000000        
F   1
  1      0.38961241371          1.0000000        
F   1
  1      0.19721694915          1.0000000        
G   1
  1     12.701234353            1.0000000        
G   1
  1      4.1918949942           1.0000000        
G   1
  1      1.8533842901           1.0000000        
G   1
  1      0.62653381346          1.0000000        
G   1
  1      0.24219766479          1.0000000        
H   1
  1      5.7762927200           1.0000000        
H   1
  1      2.7746973301           1.0000000        
H   1
  1      1.1479984424           1.0000000        
I   1
  1      5.5103270504           1.0000000        
I   1
  1      2.5388334659           1.0000000        


name: cc-pVTZ MP2 Fitting
description: MP2 auxiliary basis to be used with cc-pVTZ-NR AO basis
elt: Fe
data:
IRON
S   1
  1   1991.6661163              1.0000000        
S   1
  1   1092.6918896              1.0000000        
S   1
  1    497.95330901             1.0000000        
S   1
  1    197.62873297             1.0000000        
S   1
  1     85.839457436            1.0000000        
S   1
  1     30.851515271            1.0000000        
S   1
  1      9.9012306557           1.0000000        
S   1
  1      4.2583797328           1.0000000        
S   1
  1      2.7965519373           1.0000000        
S   1
  1      1.3326841780           1.0000000        
S   1
  1      0.43472515190          1.0000000        
S   1
  1      0.28789211745          1.0000000        
S   1
  1      0.11824963835          1.0000000        
P   1
  1    652.51602301             1.0000000        
P   1
  1    181.24195925             1.0000000        
P   1
  1     40.998423848            1.0000000        
P   1
  1     16.508750072            1.0000000        
P   1
  1      8.4070465982           1.0000000        
P   1
  1      3.5295886799           1.0000000        
P   1
  1      2.0147507007           1.0000000        
P   1
  1      0.77422175319          1.0000000        
P   1
  1      0.43086246209          1.0000000        
P   1
  1      0.18047300247          1.0000000        
P   1
  1      0.50985123173E-01            1.0000000        
D   1
  1    147.31670501             1.0000000        
D   1
  1     46.826159981            1.0000000        
D   1
  1     20.153030419            1.0000000        
D   1
  1      8.7161147242           1.0000000        
D   1
  1      4.5245422353           1.0000000        
D   1
  1      1.8429952330           1.0000000        
D   1
  1      0.94177685786          1.0000000        
D   1
  1      0.39203844110          1.0000000        
D   1
  1      0.17560048298          1.0000000        
F   1
  1     41.120490297            1.0000000        
F   1
  1      8.5287712143           1.0000000        
F   1
  1      4.1911095346           1.0000000        
F   1
  1      2.0618416314           1.0000000        
F   1
  1      0.89981426354          1.0000000        
F   1
  1      0.46801740647          1.0000000        
F   1
  1      0.21853325325          1.0000000        
G   1
  1     14.572397309            1.0000000        
G   1
  1      4.8832369181           1.0000000        
G   1
  1      2.1714794161           1.0000000        
G   1
  1      0.73035050669          1.0000000        
G   1
  1      0.26854316099          1.0000000        
H   1
  1      6.8767447356           1.0000000        
H   1
  1      3.2801478787           1.0000000        
H   1
  1      1.3708970963           1.0000000        
I   1
  1      6.6597746380           1.0000000        
I   1
  1      3.0397844463           1.0000000        


name: cc-pVTZ MP2 Fitting
description: MP2 auxiliary basis to be used with cc-pVTZ-NR AO basis
elt: Co
data:
COBALT
S   1
  1   1998.1917255              1.0000000        
S   1
  1   1098.7983459              1.0000000        
S   1
  1    495.63730139             1.0000000        
S   1
  1    195.83232902             1.0000000        
S   1
  1     85.823960920            1.0000000        
S   1
  1     33.932826819            1.0000000        
S   1
  1     10.306639367            1.0000000        
S   1
  1      3.7775775591           1.0000000        
S   1
  1      1.6426678150           1.0000000        
S   1
  1      0.83451512038          1.0000000        
S   1
  1      0.30815161535          1.0000000        
S   1
  1      0.12071373329          1.0000000        
S   1
  1      0.83823918080E-01            1.0000000        
P   1
  1    656.67053352             1.0000000        
P   1
  1    181.48171961             1.0000000        
P   1
  1     45.669667609            1.0000000        
P   1
  1     14.894688152            1.0000000        
P   1
  1      6.9580417526           1.0000000        
P   1
  1      3.2045046581           1.0000000        
P   1
  1      1.7572119955           1.0000000        
P   1
  1      0.89689246408          1.0000000        
P   1
  1      0.40470886241          1.0000000        
P   1
  1      0.18997136811          1.0000000        
P   1
  1      0.90777192401E-01            1.0000000        
D   1
  1    150.31693161             1.0000000        
D   1
  1     44.827064174            1.0000000        
D   1
  1     19.957812880            1.0000000        
D   1
  1      8.8533117257           1.0000000        
D   1
  1      4.1115143173           1.0000000        
D   1
  1      2.1151904555           1.0000000        
D   1
  1      1.0147040398           1.0000000        
D   1
  1      0.45592349102          1.0000000        
D   1
  1      0.18138197385          1.0000000        
F   1
  1     49.446041618            1.0000000        
F   1
  1      9.7296240077           1.0000000        
F   1
  1      5.7351861816           1.0000000        
F   1
  1      2.8430112781           1.0000000        
F   1
  1      1.4122599589           1.0000000        
F   1
  1      0.80356490132          1.0000000        
F   1
  1      0.35907128881          1.0000000        
G   1
  1     17.226608712            1.0000000        
G   1
  1      5.9251075979           1.0000000        
G   1
  1      2.9272347637           1.0000000        
G   1
  1      1.2379100299           1.0000000        
G   1
  1      0.59874384716          1.0000000        
H   1
  1      8.2646514289           1.0000000        
H   1
  1      4.1662558388           1.0000000        
H   1
  1      1.7500638570           1.0000000        
I   1
  1      8.1650205104           1.0000000        
I   1
  1      3.7217777025           1.0000000        


name: cc-pVTZ MP2 Fitting
description: MP2 auxiliary basis to be used with cc-pVTZ-NR AO basis
elt: Ni
data:
NICKEL
S   1
  1   1997.8237701              1.0000000        
S   1
  1   1097.2416591              1.0000000        
S   1
  1    496.28986263             1.0000000        
S   1
  1    196.51539911             1.0000000        
S   1
  1     87.216971652            1.0000000        
S   1
  1     35.137417884            1.0000000        
S   1
  1     11.454909043            1.0000000        
S   1
  1      4.1042987424           1.0000000        
S   1
  1      2.7859778875           1.0000000        
S   1
  1      1.5965165491           1.0000000        
S   1
  1      0.49186103149          1.0000000        
S   1
  1      0.28416654012          1.0000000        
S   1
  1      0.12616265844          1.0000000        
P   1
  1    650.35199200             1.0000000        
P   1
  1    184.43208755             1.0000000        
P   1
  1     47.809364688            1.0000000        
P   1
  1     15.580224065            1.0000000        
P   1
  1      7.5148604075           1.0000000        
P   1
  1      3.8056570107           1.0000000        
P   1
  1      2.3464576499           1.0000000        
P   1
  1      0.93782324546          1.0000000        
P   1
  1      0.51838194511          1.0000000        
P   1
  1      0.21837657698          1.0000000        
P   1
  1      0.48219094780E-01            1.0000000        
D   1
  1    146.64155782             1.0000000        
D   1
  1     44.430191232            1.0000000        
D   1
  1     19.451082526            1.0000000        
D   1
  1      8.4371827589           1.0000000        
D   1
  1      4.1107905672           1.0000000        
D   1
  1      2.3210325339           1.0000000        
D   1
  1      0.97427936878          1.0000000        
D   1
  1      0.46721224829          1.0000000        
D   1
  1      0.20770386175          1.0000000        
F   1
  1     48.616960788            1.0000000        
F   1
  1     11.017689500            1.0000000        
F   1
  1      5.4975283859           1.0000000        
F   1
  1      2.7863055316           1.0000000        
F   1
  1      1.2328473329           1.0000000        
F   1
  1      0.61191666508          1.0000000        
F   1
  1      0.27072533276          1.0000000        
G   1
  1     18.775427434            1.0000000        
G   1
  1      6.3224049104           1.0000000        
G   1
  1      2.8789771807           1.0000000        
G   1
  1      0.93385065596          1.0000000        
G   1
  1      0.35342268260          1.0000000        
H   1
  1      9.6049097340           1.0000000        
H   1
  1      5.0249732323           1.0000000        
H   1
  1      1.9659049861           1.0000000        
I   1
  1      9.8702668554           1.0000000        
I   1
  1      4.5127683520           1.0000000        


name: cc-pVTZ MP2 Fitting
description: MP2 auxiliary basis to be used with cc-pVTZ-NR AO basis
elt: Cu
data:
COPPER
S   1
  1   1989.8442284              1.0000000        
S   1
  1   1099.1821595              1.0000000        
S   1
  1    489.24591409             1.0000000        
S   1
  1    190.67771441             1.0000000        
S   1
  1     89.659837230            1.0000000        
S   1
  1     43.561669805            1.0000000        
S   1
  1     13.818747221            1.0000000        
S   1
  1      4.0531945343           1.0000000        
S   1
  1      2.4825335230           1.0000000        
S   1
  1      1.0385959358           1.0000000        
S   1
  1      0.64586753328          1.0000000        
S   1
  1      0.25733171364          1.0000000        
S   1
  1      0.14235554835          1.0000000        
P   1
  1    551.84062390             1.0000000        
P   1
  1    171.53878246             1.0000000        
P   1
  1     46.718917626            1.0000000        
P   1
  1     17.994412589            1.0000000        
P   1
  1      6.8613676394           1.0000000        
P   1
  1      4.2422257285           1.0000000        
P   1
  1      1.6469239386           1.0000000        
P   1
  1      1.0661440298           1.0000000        
P   1
  1      0.47392463185          1.0000000        
P   1
  1      0.20637480741          1.0000000        
P   1
  1      0.92362763570E-01            1.0000000        
D   1
  1    152.86424703             1.0000000        
D   1
  1     45.360919088            1.0000000        
D   1
  1     17.361558462            1.0000000        
D   1
  1     12.305715759            1.0000000        
D   1
  1      4.5145510029           1.0000000        
D   1
  1      2.9894775496           1.0000000        
D   1
  1      1.1623467499           1.0000000        
D   1
  1      0.67133977507          1.0000000        
D   1
  1      0.25914055087          1.0000000        
F   1
  1     57.363728452            1.0000000        
F   1
  1     12.458705005            1.0000000        
F   1
  1      6.7168718399           1.0000000        
F   1
  1      3.5906356059           1.0000000        
F   1
  1      1.6107232146           1.0000000        
F   1
  1      0.81548413376          1.0000000        
F   1
  1      0.34962438020          1.0000000        
G   1
  1     21.326579225            1.0000000        
G   1
  1      7.2891062979           1.0000000        
G   1
  1      3.5722718000           1.0000000        
G   1
  1      1.3135972169           1.0000000        
G   1
  1      0.54086964465          1.0000000        
H   1
  1     10.853374411            1.0000000        
H   1
  1      5.5795302535           1.0000000        
H   1
  1      2.2716457145           1.0000000        
I   1
  1      9.6118985121           1.0000000        
I   1
  1      5.0542964769           1.0000000        


name: cc-pVTZ MP2 Fitting
description: MP2 auxiliary basis to be used with cc-pVTZ-NR AO basis
elt: Zn
data:
ZINC
S   1
  1   2009.8830653              1.0000000        
S   1
  1   1106.3700401              1.0000000        
S   1
  1    501.36562972             1.0000000        
S   1
  1    199.17333619             1.0000000        
S   1
  1     91.784326727            1.0000000        
S   1
  1     44.685112960            1.0000000        
S   1
  1     13.294788350            1.0000000        
S   1
  1      5.1194193898           1.0000000        
S   1
  1      2.4236237264           1.0000000        
S   1
  1      0.97031991214          1.0000000        
S   1
  1      0.39649958267          1.0000000        
S   1
  1      0.13997864237          1.0000000        
S   1
  1      0.95755109882E-01            1.0000000        
P   1
  1    580.56320528             1.0000000        
P   1
  1    168.75412203             1.0000000        
P   1
  1     52.575823308            1.0000000        
P   1
  1     17.744440632            1.0000000        
P   1
  1      8.5206318363           1.0000000        
P   1
  1      4.6112036269           1.0000000        
P   1
  1      1.8803648595           1.0000000        
P   1
  1      1.1806404532           1.0000000        
P   1
  1      0.51296843618          1.0000000        
P   1
  1      0.22433076708          1.0000000        
P   1
  1      0.10279642346          1.0000000        
D   1
  1    135.68103756             1.0000000        
D   1
  1     35.442806611            1.0000000        
D   1
  1     17.149123009            1.0000000        
D   1
  1     10.472916799            1.0000000        
D   1
  1      4.9662353063           1.0000000        
D   1
  1      3.0491090698           1.0000000        
D   1
  1      1.5348472965           1.0000000        
D   1
  1      0.81372499349          1.0000000        
D   1
  1      0.34313455435          1.0000000        
F   1
  1     64.263775194            1.0000000        
F   1
  1     13.603868243            1.0000000        
F   1
  1      7.9905294911           1.0000000        
F   1
  1      4.2276565191           1.0000000        
F   1
  1      1.9262983668           1.0000000        
F   1
  1      0.99882009111          1.0000000        
F   1
  1      0.43695929708          1.0000000        
G   1
  1     24.301925408            1.0000000        
G   1
  1      8.3916273250           1.0000000        
G   1
  1      4.3750328995           1.0000000        
G   1
  1      1.7301819751           1.0000000        
G   1
  1      0.74252605387          1.0000000        
H   1
  1     12.537096347            1.0000000        
H   1
  1      6.4893998745           1.0000000        
H   1
  1      2.6904258406           1.0000000        
I   1
  1     10.584323306            1.0000000        
I   1
  1      5.7089131197           1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: H
data:
HYDROGEN
S   3
  1     33.8700000              0.0060680        
  2      5.0950000              0.0453080        
  3      1.1590000              0.2028220        
S   1
  1      0.3258000              1.0000000        
S   1
  1      0.1027000              1.0000000        
P   1
  1      1.4070000              1.0000000        
P   1
  1      0.3880000              1.0000000        
D   1
  1      1.0570000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: He
data:
HELIUM
S   4
  1    234.0000000              0.0025870        
  2     35.1600000              0.0195330        
  3      7.9890000              0.0909980        
  4      2.2120000              0.2720500        
S   1
  1      0.6669000              1.0000000        
S   1
  1      0.2089000              1.0000000        
P   1
  1      3.0440000              1.0000000        
P   1
  1      0.7580000              1.0000000        
D   1
  1      1.9650000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Li
data:
LITHIUM
S   9
  1   5988.0000000              0.0001330        
  2    898.9000000              0.0010250        
  3    205.9000000              0.0052720        
  4     59.2400000              0.0209290        
  5     19.8700000              0.0663400        
  6      7.4060000              0.1657750        
  7      2.9300000              0.3150380        
  8      1.1890000              0.3935230        
  9      0.4798000              0.1908700        
S   9
  1   5988.0000000             -0.0000210        
  2    898.9000000             -0.0001610        
  3    205.9000000             -0.0008200        
  4     59.2400000             -0.0033260        
  5     19.8700000             -0.0105190        
  6      7.4060000             -0.0280970        
  7      2.9300000             -0.0559360        
  8      1.1890000             -0.0992370        
  9      0.4798000             -0.1121890        
S   1
  1      0.0750900              1.0000000        
S   1
  1      0.0283200              1.0000000        
P   3
  1      3.2660000              0.0086300        
  2      0.6511000              0.0475380        
  3      0.1696000              0.2097720        
P   1
  1      0.0557800              1.0000000        
P   1
  1      0.0205000              1.0000000        
D   1
  1      0.1874000              1.0000000        
D   1
  1      0.0801000              1.0000000        
F   1
  1      0.1829000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Be
data:
BERYLLIUM
S   9
  1   6863.0000000              0.0002360        
  2   1030.0000000              0.0018260        
  3    234.7000000              0.0094520        
  4     66.5600000              0.0379570        
  5     21.6900000              0.1199650        
  6      7.7340000              0.2821620        
  7      2.9160000              0.4274040        
  8      1.1300000              0.2662780        
  9      0.1101000             -0.0072750        
S   9
  1   6863.0000000             -0.0000430        
  2   1030.0000000             -0.0003330        
  3    234.7000000             -0.0017360        
  4     66.5600000             -0.0070120        
  5     21.6900000             -0.0231260        
  6      7.7340000             -0.0581380        
  7      2.9160000             -0.1145560        
  8      1.1300000             -0.1359080        
  9      0.1101000              0.5774410        
S   1
  1      0.2577000              1.0000000        
S   1
  1      0.0440900              1.0000000        
P   3
  1      7.4360000              0.0107360        
  2      1.5770000              0.0628540        
  3      0.4352000              0.2481800        
P   1
  1      0.1438000              1.0000000        
P   1
  1      0.0499400              1.0000000        
D   1
  1      0.3480000              1.0000000        
D   1
  1      0.1803000              1.0000000        
F   1
  1      0.3250000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: B
data:
BORON
S   8
  1   5473.0000000              0.0005550        
  2    820.9000000              0.0042910        
  3    186.8000000              0.0219490        
  4     52.8300000              0.0844410        
  5     17.0800000              0.2385570        
  6      5.9990000              0.4350720        
  7      2.2080000              0.3419550        
  8      0.2415000             -0.0095450        
S   8
  1   5473.0000000             -0.0001120        
  2    820.9000000             -0.0008680        
  3    186.8000000             -0.0044840        
  4     52.8300000             -0.0176830        
  5     17.0800000             -0.0536390        
  6      5.9990000             -0.1190050        
  7      2.2080000             -0.1658240        
  8      0.2415000              0.5959810        
S   1
  1      0.5879000              1.0000000        
S   1
  1      0.0861000              1.0000000        
P   3
  1     12.0500000              0.0131180        
  2      2.6130000              0.0798960        
  3      0.7475000              0.2772750        
P   1
  1      0.2385000              1.0000000        
P   1
  1      0.0769800              1.0000000        
D   1
  1      0.6610000              1.0000000        
D   1
  1      0.1990000              1.0000000        
F   1
  1      0.4900000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: C
data:
CARBON
S   8
  1   8236.0000000              0.0005310        
  2   1235.0000000              0.0041080        
  3    280.8000000              0.0210870        
  4     79.2700000              0.0818530        
  5     25.5900000              0.2348170        
  6      8.9970000              0.4344010        
  7      3.3190000              0.3461290        
  8      0.3643000             -0.0089830        
S   8
  1   8236.0000000             -0.0001130        
  2   1235.0000000             -0.0008780        
  3    280.8000000             -0.0045400        
  4     79.2700000             -0.0181330        
  5     25.5900000             -0.0557600        
  6      8.9970000             -0.1268950        
  7      3.3190000             -0.1703520        
  8      0.3643000              0.5986840        
S   1
  1      0.9059000              1.0000000        
S   1
  1      0.1285000              1.0000000        
P   3
  1     18.7100000              0.0140310        
  2      4.1330000              0.0868660        
  3      1.2000000              0.2902160        
P   1
  1      0.3827000              1.0000000        
P   1
  1      0.1209000              1.0000000        
D   1
  1      1.0970000              1.0000000        
D   1
  1      0.3180000              1.0000000        
F   1
  1      0.7610000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: N
data:
NITROGEN
S   8
  1  11420.0000000              0.0005230        
  2   1712.0000000              0.0040450        
  3    389.3000000              0.0207750        
  4    110.0000000              0.0807270        
  5     35.5700000              0.2330740        
  6     12.5400000              0.4335010        
  7      4.6440000              0.3474720        
  8      0.5118000             -0.0085080        
S   8
  1  11420.0000000             -0.0001150        
  2   1712.0000000             -0.0008950        
  3    389.3000000             -0.0046240        
  4    110.0000000             -0.0185280        
  5     35.5700000             -0.0573390        
  6     12.5400000             -0.1320760        
  7      4.6440000             -0.1725100        
  8      0.5118000              0.5999440        
S   1
  1      1.2930000              1.0000000        
S   1
  1      0.1787000              1.0000000        
P   3
  1     26.6300000              0.0146700        
  2      5.9480000              0.0917640        
  3      1.7420000              0.2986830        
P   1
  1      0.5550000              1.0000000        
P   1
  1      0.1725000              1.0000000        
D   1
  1      1.6540000              1.0000000        
D   1
  1      0.4690000              1.0000000        
F   1
  1      1.0930000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: O
data:
OXYGEN
S   8
  1  15330.0000000              0.0005080        
  2   2299.0000000              0.0039290        
  3    522.4000000              0.0202430        
  4    147.3000000              0.0791810        
  5     47.5500000              0.2306870        
  6     16.7600000              0.4331180        
  7      6.2070000              0.3502600        
  8      0.6882000             -0.0081540        
S   8
  1  15330.0000000             -0.0001150        
  2   2299.0000000             -0.0008950        
  3    522.4000000             -0.0046360        
  4    147.3000000             -0.0187240        
  5     47.5500000             -0.0584630        
  6     16.7600000             -0.1364630        
  7      6.2070000             -0.1757400        
  8      0.6882000              0.6034180        
S   1
  1      1.7520000              1.0000000        
S   1
  1      0.2384000              1.0000000        
P   3
  1     34.4600000              0.0159280        
  2      7.7490000              0.0997400        
  3      2.2800000              0.3104920        
P   1
  1      0.7156000              1.0000000        
P   1
  1      0.2140000              1.0000000        
D   1
  1      2.3140000              1.0000000        
D   1
  1      0.6450000              1.0000000        
F   1
  1      1.4280000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: F
data:
FLUORINE
S   8
  1  19500.0000000              0.0005070        
  2   2923.0000000              0.0039230        
  3    664.5000000              0.0202000        
  4    187.5000000              0.0790100        
  5     60.6200000              0.2304390        
  6     21.4200000              0.4328720        
  7      7.9500000              0.3499640        
  8      0.8815000             -0.0078920        
S   8
  1  19500.0000000             -0.0001170        
  2   2923.0000000             -0.0009120        
  3    664.5000000             -0.0047170        
  4    187.5000000             -0.0190860        
  5     60.6200000             -0.0596550        
  6     21.4200000             -0.1400100        
  7      7.9500000             -0.1767820        
  8      0.8815000              0.6050430        
S   1
  1      2.2570000              1.0000000        
S   1
  1      0.3041000              1.0000000        
P   3
  1     43.8800000              0.0166650        
  2      9.9260000              0.1044720        
  3      2.9300000              0.3172600        
P   1
  1      0.9132000              1.0000000        
P   1
  1      0.2672000              1.0000000        
D   1
  1      3.1070000              1.0000000        
D   1
  1      0.8550000              1.0000000        
F   1
  1      1.9170000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Ne
data:
NEON
S   8
  1  24350.0000000              0.0005020        
  2   3650.0000000              0.0038810        
  3    829.6000000              0.0199970        
  4    234.0000000              0.0784180        
  5     75.6100000              0.2296760        
  6     26.7300000              0.4327220        
  7      9.9270000              0.3506420        
  8      1.1020000             -0.0076450        
S   8
  1  24350.0000000             -0.0001180        
  2   3650.0000000             -0.0009150        
  3    829.6000000             -0.0047370        
  4    234.0000000             -0.0192330        
  5     75.6100000             -0.0603690        
  6     26.7300000             -0.1425080        
  7      9.9270000             -0.1777100        
  8      1.1020000              0.6058360        
S   1
  1      2.8360000              1.0000000        
S   1
  1      0.3782000              1.0000000        
P   3
  1     54.7000000              0.0171510        
  2     12.4300000              0.1076560        
  3      3.6790000              0.3216810        
P   1
  1      1.1430000              1.0000000        
P   1
  1      0.3300000              1.0000000        
D   1
  1      4.0140000              1.0000000        
D   1
  1      1.0960000              1.0000000        
F   1
  1      2.5440000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Na
data:
SODIUM
S   14
  1 423000.0000000              0.180618D-04     
  2  63340.0000000              0.140430D-03     
  3  14410.0000000              0.738438D-03     
  4   4077.0000000              0.311182D-02     
  5   1328.0000000              0.112081D-01     
  6    478.6000000              0.352828D-01     
  7    186.2000000              0.959897D-01     
  8     76.9200000              0.213735D+00     
  9     33.3200000              0.348688D+00     
 10     15.0000000              0.324566D+00     
 11      6.8690000              0.112633D+00     
 12      2.6830000              0.706797D-02     
 13      1.1090000              0.598010D-03     
 14      0.0601500             -0.530870D-05     
S   14
  1 423000.0000000             -0.440653D-05     
  2  63340.0000000             -0.343443D-04     
  3  14410.0000000             -0.180114D-03     
  4   4077.0000000             -0.763900D-03     
  5   1328.0000000             -0.275248D-02     
  6    478.6000000             -0.886016D-02     
  7    186.2000000             -0.247939D-01     
  8     76.9200000             -0.605995D-01     
  9     33.3200000             -0.116446D+00     
 10     15.0000000             -0.162437D+00     
 11      6.8690000             -0.438891D-01     
 12      2.6830000              0.337917D+00     
 13      1.1090000              0.561347D+00     
 14      0.0601500              0.406754D-02     
S   14
  1 423000.0000000              0.663019D-06     
  2  63340.0000000              0.515769D-05     
  3  14410.0000000              0.271250D-04     
  4   4077.0000000              0.114635D-03     
  5   1328.0000000              0.415118D-03     
  6    478.6000000              0.132978D-02     
  7    186.2000000              0.375595D-02     
  8     76.9200000              0.914025D-02     
  9     33.3200000              0.179859D-01     
 10     15.0000000              0.251477D-01     
 11      6.8690000              0.763522D-02     
 12      2.6830000             -0.614589D-01     
 13      1.1090000             -0.115721D+00     
 14      0.0601500              0.626406D+00     
S   1
  1      0.4540000              1.0000000        
S   1
  1      0.0238200              1.0000000        
P   8
  1    243.3000000              0.224392D-02     
  2     57.3900000              0.173997D-01     
  3     18.1000000              0.774125D-01     
  4      6.5750000              0.219102D+00     
  5      2.5210000              0.378522D+00     
  6      0.9607000              0.394902D+00     
  7      0.3512000              0.160424D+00     
  8      0.0982700              0.233311D-02     
P   8
  1    243.3000000             -0.222401D-03     
  2     57.3900000             -0.174277D-02     
  3     18.1000000             -0.775456D-02     
  4      6.5750000             -0.225187D-01     
  5      2.5210000             -0.384330D-01     
  6      0.9607000             -0.450177D-01     
  7      0.3512000             -0.192132D-01     
  8      0.0982700              0.182697D+00     
P   1
  1      0.0373400              1.0000000        
P   1
  1      0.0150000              1.0000000        
D   1
  1      0.1367000              1.0000000        
D   1
  1      0.0636000              1.0000000        
F   1
  1      0.1397000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Mg
data:
MAGNESIUM
S   13
  1 164900.0000000              0.729929D-04     
  2  24710.0000000              0.566652D-03     
  3   5628.0000000              0.296269D-02     
  4   1596.0000000              0.122962D-01     
  5    521.0000000              0.427324D-01     
  6    188.0000000              0.123013D+00     
  7     73.0100000              0.274832D+00     
  8     29.9000000              0.401818D+00     
  9     12.5400000              0.264697D+00     
 10      4.3060000              0.332612D-01     
 11      1.8260000             -0.441335D-02     
 12      0.7417000              0.206024D-02     
 13      0.0761200              0.708195D-03     
S   13
  1 164900.0000000             -0.184248D-04     
  2  24710.0000000             -0.143500D-03     
  3   5628.0000000             -0.748710D-03     
  4   1596.0000000             -0.314407D-02     
  5    521.0000000             -0.110481D-01     
  6    188.0000000             -0.336058D-01     
  7     73.0100000             -0.825946D-01     
  8     29.9000000             -0.159314D+00     
  9     12.5400000             -0.152888D+00     
 10      4.3060000              0.190849D+00     
 11      1.8260000              0.579964D+00     
 12      0.7417000              0.372029D+00     
 13      0.0761200             -0.119344D-01     
S   13
  1 164900.0000000              0.355176D-05     
  2  24710.0000000              0.276420D-04     
  3   5628.0000000              0.144404D-03     
  4   1596.0000000              0.605744D-03     
  5    521.0000000              0.213527D-02     
  6    188.0000000              0.649934D-02     
  7     73.0100000              0.161446D-01     
  8     29.9000000              0.315766D-01     
  9     12.5400000              0.316374D-01     
 10      4.3060000             -0.439140D-01     
 11      1.8260000             -0.151093D+00     
 12      0.7417000             -0.217668D+00     
 13      0.0761200              0.547245D+00     
S   1
  1      0.1457000              1.0000000        
S   1
  1      0.0331000              1.0000000        
P   8
  1    316.9000000              0.207532D-02     
  2     74.8600000              0.162869D-01     
  3     23.7200000              0.738697D-01     
  4      8.6690000              0.214297D+00     
  5      3.3630000              0.382154D+00     
  6      1.3100000              0.398178D+00     
  7      0.4911000              0.152878D+00     
  8      0.2364000             -0.437540D-02     
P   8
  1    316.9000000             -0.329727D-03     
  2     74.8600000             -0.258754D-02     
  3     23.7200000             -0.119120D-01     
  4      8.6690000             -0.350227D-01     
  5      3.3630000             -0.639968D-01     
  6      1.3100000             -0.704436D-01     
  7      0.4911000             -0.375836D-01     
  8      0.2364000              0.177043D+00     
P   1
  1      0.0873300              1.0000000        
P   1
  1      0.0323700              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.2940000              1.0000000        
F   1
  1      0.2520000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Al
data:
ALUMINUM
S   13
  1 205500.0000000              0.678836D-04     
  2  30780.0000000              0.527149D-03     
  3   7006.0000000              0.276203D-02     
  4   1985.0000000              0.114728D-01     
  5    649.1000000              0.398188D-01     
  6    235.0000000              0.115040D+00     
  7     91.6200000              0.260887D+00     
  8     37.6700000              0.396386D+00     
  9     15.9100000              0.284597D+00     
 10      5.8500000              0.444583D-01     
 11      2.5420000             -0.489838D-02     
 12      1.0570000              0.261253D-02     
 13      0.1455000              0.722068D-03     
S   13
  1 205500.0000000             -0.176377D-04     
  2  30780.0000000             -0.137195D-03     
  3   7006.0000000             -0.718910D-03     
  4   1985.0000000             -0.301146D-02     
  5    649.1000000             -0.106014D-01     
  6    235.0000000             -0.321345D-01     
  7     91.6200000             -0.803156D-01     
  8     37.6700000             -0.156794D+00     
  9     15.9100000             -0.168376D+00     
 10      5.8500000              0.126879D+00     
 11      2.5420000              0.561494D+00     
 12      1.0570000              0.436613D+00     
 13      0.1455000             -0.114563D-01     
S   13
  1 205500.0000000              0.407315D-05     
  2  30780.0000000              0.316566D-04     
  3   7006.0000000              0.166116D-03     
  4   1985.0000000              0.694992D-03     
  5    649.1000000              0.245511D-02     
  6    235.0000000              0.744598D-02     
  7     91.6200000              0.188253D-01     
  8     37.6700000              0.372772D-01     
  9     15.9100000              0.419496D-01     
 10      5.8500000             -0.354375D-01     
 11      2.5420000             -0.175132D+00     
 12      1.0570000             -0.276203D+00     
 13      0.1455000              0.652809D+00     
S   1
  1      0.2931000              1.0000000        
S   1
  1      0.0565000              1.0000000        
P   7
  1    444.4000000              0.162786D-02     
  2    105.1000000              0.130687D-01     
  3     33.4700000              0.612341D-01     
  4     12.3300000              0.187870D+00     
  5      4.8690000              0.360452D+00     
  6      1.9610000              0.408454D+00     
  7      0.1888000              0.976514D-02     
P   7
  1    444.4000000             -0.286341D-03     
  2    105.1000000             -0.242308D-02     
  3     33.4700000             -0.108658D-01     
  4     12.3300000             -0.364307D-01     
  5      4.8690000             -0.641074D-01     
  6      1.9610000             -0.972239D-01     
  7      0.1888000              0.503448D+00     
P   1
  1      0.7834000              1.0000000        
P   1
  1      0.0555700              1.0000000        
D   1
  1      0.1090000              1.0000000        
D   1
  1      0.3330000              1.0000000        
F   1
  1      0.2440000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: Si
data:
SILICON
S   13
  1 254900.0000000              0.625101D-04     
  2  38190.0000000              0.485553D-03     
  3   8690.0000000              0.254516D-02     
  4   2462.0000000              0.105866D-01     
  5    804.8000000              0.368787D-01     
  6    291.3000000              0.107479D+00     
  7    113.6000000              0.247936D+00     
  8     46.7500000              0.390927D+00     
  9     19.8200000              0.302026D+00     
 10      7.7080000              0.559236D-01     
 11      3.3400000             -0.402406D-02     
 12      1.4020000              0.258030D-02     
 13      0.2070000              0.607930D-03     
S   13
  1 254900.0000000             -0.166370D-04     
  2  38190.0000000             -0.129310D-03     
  3   8690.0000000             -0.678828D-03     
  4   2462.0000000             -0.284117D-02     
  5    804.8000000             -0.100551D-01     
  6    291.3000000             -0.305774D-01     
  7    113.6000000             -0.777256D-01     
  8     46.7500000             -0.154236D+00     
  9     19.8200000             -0.180368D+00     
 10      7.7080000              0.798218D-01     
 11      3.3400000              0.547441D+00     
 12      1.4020000              0.480119D+00     
 13      0.2070000             -0.106996D-01     
S   13
  1 254900.0000000              0.426257D-05     
  2  38190.0000000              0.331062D-04     
  3   8690.0000000              0.174015D-03     
  4   2462.0000000              0.727574D-03     
  5    804.8000000              0.258333D-02     
  6    291.3000000              0.786354D-02     
  7    113.6000000              0.202155D-01     
  8     46.7500000              0.407320D-01     
  9     19.8200000              0.499358D-01     
 10      7.7080000             -0.249396D-01     
 11      3.3400000             -0.190350D+00     
 12      1.4020000             -0.318350D+00     
 13      0.2070000              0.681180D+00     
S   1
  1      0.4387000              1.0000000        
S   1
  1      0.0794400              1.0000000        
P   7
  1    481.5000000              0.192045D-02     
  2    113.9000000              0.153552D-01     
  3     36.2300000              0.713991D-01     
  4     13.3400000              0.213052D+00     
  5      5.2520000              0.390354D+00     
  6      2.1200000              0.393721D+00     
  7      0.2528000              0.395630D-02     
P   7
  1    481.5000000             -0.405220D-03     
  2    113.9000000             -0.335896D-02     
  3     36.2300000             -0.152860D-01     
  4     13.3400000             -0.489218D-01     
  5      5.2520000             -0.855008D-01     
  6      2.1200000             -0.112137D+00     
  7      0.2528000              0.551919D+00     
P   1
  1      0.8561000              1.0000000        
P   1
  1      0.0788900              1.0000000        
D   1
  1      0.1590000              1.0000000        
D   1
  1      0.4810000              1.0000000        
F   1
  1      0.3360000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: P
data:
PHOSPHOROUS
S   13
  1 312400.0000000              0.576960D-04     
  2  46800.0000000              0.448296D-03     
  3  10650.0000000              0.234939D-02     
  4   3018.0000000              0.978265D-02     
  5    986.8000000              0.341467D-01     
  6    357.4000000              0.100204D+00     
  7    139.6000000              0.234372D+00     
  8     57.6300000              0.382434D+00     
  9     24.6000000              0.318088D+00     
 10     10.1200000              0.707788D-01     
 11      4.2830000             -0.181799D-02     
 12      1.8050000              0.216180D-02     
 13      0.2782000              0.432297D-03     
S   13
  1 312400.0000000             -0.156709D-04     
  2  46800.0000000             -0.121724D-03     
  3  10650.0000000             -0.639672D-03     
  4   3018.0000000             -0.267426D-02     
  5    986.8000000             -0.949831D-02     
  6    357.4000000             -0.289349D-01     
  7    139.6000000             -0.745121D-01     
  8     57.6300000             -0.149938D+00     
  9     24.6000000             -0.189467D+00     
 10     10.1200000              0.363270D-01     
 11      4.2830000              0.528816D+00     
 12      1.8050000              0.519115D+00     
 13      0.2782000             -0.925695D-02     
S   13
  1 312400.0000000              0.430631D-05     
  2  46800.0000000              0.334194D-04     
  3  10650.0000000              0.175885D-03     
  4   3018.0000000              0.734340D-03     
  5    986.8000000              0.261775D-02     
  6    357.4000000              0.797852D-02     
  7    139.6000000              0.207940D-01     
  8     57.6300000              0.424446D-01     
  9     24.6000000              0.563436D-01     
 10     10.1200000             -0.127358D-01     
 11      4.2830000             -0.196495D+00     
 12      1.8050000             -0.353555D+00     
 13      0.2782000              0.700912D+00     
S   1
  1      0.6158000              1.0000000        
S   1
  1      0.1055000              1.0000000        
P   7
  1    504.9000000              0.233728D-02     
  2    119.4000000              0.185410D-01     
  3     37.9600000              0.849693D-01     
  4     13.9500000              0.244615D+00     
  5      5.4570000              0.422766D+00     
  6      2.1770000              0.368439D+00     
  7      0.2877000             -0.379005D-02     
P   7
  1    504.9000000             -0.555236D-03     
  2    119.4000000             -0.445913D-02     
  3     37.9600000             -0.206350D-01     
  4     13.9500000             -0.617694D-01     
  5      5.4570000             -0.108924D+00     
  6      2.1770000             -0.105599D+00     
  7      0.2877000              0.576981D+00     
P   1
  1      0.8010000              1.0000000        
P   1
  1      0.0971400              1.0000000        
D   1
  1      0.2160000              1.0000000        
D   1
  1      0.6520000              1.0000000        
F   1
  1      0.4520000              1.0000000        


name: cc-pVTZ
description: VTZ2P Valence Triple Zeta + Polarization on All Atoms
elt: S
data:
SULFUR
S   13
  1 374100.0000000              0.542140D-04     
  2  56050.0000000              0.420855D-03     
  3  12760.0000000              0.220698D-02     
  4   3615.0000000              0.919258D-02     
  5   1183.0000000              0.321123D-01     
  6    428.8000000              0.946683D-01     
  7    167.8000000              0.223630D+00     
  8     69.4700000              0.374393D+00     
  9     29.8400000              0.329108D+00     
 10     12.7200000              0.847038D-01     
 11      5.2440000              0.440851D-03     
 12      2.2190000              0.164827D-02     
 13      0.3490000              0.301306D-03     
S   13
  1 374100.0000000             -0.149837D-04     
  2  56050.0000000             -0.116198D-03     
  3  12760.0000000             -0.611583D-03     
  4   3615.0000000             -0.255370D-02     
  5   1183.0000000             -0.908708D-02     
  6    428.8000000             -0.277045D-01     
  7    167.8000000             -0.720020D-01     
  8     69.4700000             -0.146439D+00     
  9     29.8400000             -0.195150D+00     
 10     12.7200000              0.819193D-02     
 11      5.2440000              0.516601D+00     
 12      2.2190000              0.542178D+00     
 13      0.3490000             -0.918072D-02     
S   13
  1 374100.0000000              0.435066D-05     
  2  56050.0000000              0.337140D-04     
  3  12760.0000000              0.177674D-03     
  4   3615.0000000              0.741116D-03     
  5   1183.0000000              0.264591D-02     
  6    428.8000000              0.807487D-02     
  7    167.8000000              0.212276D-01     
  8     69.4700000              0.438323D-01     
  9     29.8400000              0.612716D-01     
 10     12.7200000             -0.361510D-02     
 11      5.2440000             -0.204510D+00     
 12      2.2190000             -0.381871D+00     
 13      0.3490000              0.714147D+00     
S   1
  1      0.7767000              1.0000000        
S   1
  1      0.1322000              1.0000000        
P   7
  1    574.4000000              0.242264D-02     
  2    135.8000000              0.192796D-01     
  3     43.1900000              0.885401D-01     
  4     15.8700000              0.254654D+00     
  5      6.2080000              0.433984D+00     
  6      2.4830000              0.354953D+00     
  7      0.3229000             -0.502977D-02     
P   7
  1    574.4000000             -0.620102D-03     
  2    135.8000000             -0.493882D-02     
  3     43.1900000             -0.232647D-01     
  4     15.8700000             -0.685195D-01     
  5      6.2080000             -0.123896D+00     
  6      2.4830000             -0.969499D-01     
  7      0.3229000              0.569394D+00     
P   1
  1      0.8688000              1.0000000        
P   1
  1      0.1098000              1.0000000        
D   1
  1      0.2690000              1.0000000        
D   1
  1      0.8190000              1.0000000        
F   1
  1      0.5570000              1.0000000        


