# all_value

name: cc-pV5Z(pt/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Se
data:
SELENIUM
S   22
  1      1.5443225E+08          5.28344523676E-06      
  2      2.3129212E+07          1.54204527309E-05      
  3      5.2617929E+06          4.35503102595E-05      
  4      1.4888167E+06          1.12824800818E-04      
  5      4.8465656E+05          2.91113798998E-04      
  6      1.7427063E+05          7.41634072071E-04      
  7      6.7529090E+04          1.88269193830E-03      
  8      2.7750837E+04          4.71035806264E-03      
  9      1.1964216E+04          1.15222163356E-02      
 10      5.3707148E+03          2.71710234823E-02      
 11      2.4973194E+03          6.05031454194E-02      
 12      1.1987679E+03          1.22927106442E-01      
 13      5.9258026E+02          2.15260796976E-01      
 14      3.0097708E+02          2.94824378726E-01      
 15      1.5646024E+02          2.66960296873E-01      
 16      8.2476086E+01          1.22553381945E-01      
 17      4.2270887E+01          1.73155715806E-02      
 18      2.2630220E+01          8.34088797030E-05      
 19      1.2122374E+01          3.07268648780E-04      
 20      6.2491700E+00         -1.60866830191E-04      
 21      3.2426780E+00          2.96230930130E-05      
 22      1.6663620E+00         -3.62431180118E-05      
S   22
  1      1.5443225E+08         -1.69863798472E-06      
  2      2.3129212E+07         -4.96375787619E-06      
  3      5.2617929E+06         -1.40438983174E-05      
  4      1.4888167E+06         -3.64622379315E-05      
  5      4.8465656E+05         -9.43423677842E-05      
  6      1.7427063E+05         -2.40924557946E-04      
  7      6.7529090E+04         -6.13754785749E-04      
  8      2.7750837E+04         -1.54107243433E-03      
  9      1.1964216E+04         -3.79921281471E-03      
 10      5.3707148E+03         -9.07351609408E-03      
 11      2.4973194E+03         -2.07798580321E-02      
 12      1.1987679E+03         -4.44497095653E-02      
 13      5.9258026E+02         -8.62587017798E-02      
 14      3.0097708E+02         -1.41615270923E-01      
 15      1.5646024E+02         -1.71556264671E-01      
 16      8.2476086E+01         -7.08393505327E-02      
 17      4.2270887E+01          2.46980689223E-01      
 18      2.2630220E+01          5.18562337533E-01      
 19      1.2122374E+01          3.44641910978E-01      
 20      6.2491700E+00          6.51597464826E-02      
 21      3.2426780E+00          2.26064450150E-03      
 22      1.6663620E+00          1.37386694387E-03      
S   22
  1      1.5443225E+08          6.70701310908E-07      
  2      2.3129212E+07          1.96017309660E-06      
  3      5.2617929E+06          5.54743561094E-06      
  4      1.4888167E+06          1.44056703713E-05      
  5      4.8465656E+05          3.72909060014E-05      
  6      1.7427063E+05          9.52430386611E-05      
  7      6.7529090E+04          2.42798382280E-04      
  8      2.7750837E+04          6.09731188824E-04      
  9      1.1964216E+04          1.50526336709E-03      
 10      5.3707148E+03          3.59921603661E-03      
 11      2.4973194E+03          8.27756515228E-03      
 12      1.1987679E+03          1.78146512569E-02      
 13      5.9258026E+02          3.50787006216E-02      
 14      3.0097708E+02          5.90055580874E-02      
 15      1.5646024E+02          7.48528078782E-02      
 16      8.2476086E+01          3.21250081658E-02      
 17      4.2270887E+01         -1.37780033850E-01      
 18      2.2630220E+01         -3.91804310217E-01      
 19      1.2122374E+01         -3.46108176853E-01      
 20      6.2491700E+00          1.91632382401E-01      
 21      3.2426780E+00          6.49004840566E-01      
 22      1.6663620E+00          4.22752426360E-01      
S   22
  1      1.5443225E+08         -1.96987932388E-07      
  2      2.3129212E+07         -5.75703961663E-07      
  3      5.2617929E+06         -1.62944215015E-06      
  4      1.4888167E+06         -4.23110360108E-06      
  5      4.8465656E+05         -1.09550449778E-05      
  6      1.7427063E+05         -2.79746588116E-05      
  7      6.7529090E+04         -7.13413420140E-05      
  8      2.7750837E+04         -1.79097238675E-04      
  9      1.1964216E+04         -4.42429189414E-04      
 10      5.3707148E+03         -1.05750775445E-03      
 11      2.4973194E+03         -2.43515920313E-03      
 12      1.1987679E+03         -5.24149668923E-03      
 13      5.9258026E+02         -1.03536332960E-02      
 14      3.0097708E+02         -1.74550508431E-02      
 15      1.5646024E+02         -2.23463888287E-02      
 16      8.2476086E+01         -9.58104592157E-03      
 17      4.2270887E+01          4.24538765274E-02      
 18      2.2630220E+01          1.27747495068E-01      
 19      1.2122374E+01          1.16069920824E-01      
 20      6.2491700E+00         -7.58623088583E-02      
 21      3.2426780E+00         -3.01162159632E-01      
 22      1.6663620E+00         -3.62595940363E-01      
S   1
  1      7.8726400E-01          1.0000000        
S   1
  1      4.0297200E-01          1.0000000        
S   1
  1      1.8709600E-01          1.0000000        
S   1
  1      8.4706000E-02          1.0000000        
P   13
  1      3.6511337E+04          1.27230043965E-04      
  2      8.6405510E+03          4.82683097485E-04      
  3      2.8056911E+03          2.18109985734E-03      
  4      1.0734961E+03          8.48823653571E-03      
  5      4.5577475E+02          2.89367931373E-02      
  6      2.0809432E+02          8.24392248530E-02      
  7      1.0023111E+02          1.87258861777E-01      
  8      5.0073522E+01          3.14569395670E-01      
  9      2.5700262E+01          3.40586450955E-01      
 10      1.3346792E+01          1.85287121202E-01      
 11      6.7870510E+00          3.66176191726E-02      
 12      3.3916540E+00          2.07626288991E-03      
 13      1.6703270E+00          6.52924812362E-04      
P   13
  1      3.6511337E+04         -5.06148750160E-05      
  2      8.6405510E+03         -1.92380631661E-04      
  3      2.8056911E+03         -8.72409404497E-04      
  4      1.0734961E+03         -3.41352933544E-03      
  5      4.5577475E+02         -1.17915353149E-02      
  6      2.0809432E+02         -3.44153557928E-02      
  7      1.0023111E+02         -8.13597795764E-02      
  8      5.0073522E+01         -1.43705174219E-01      
  9      2.5700262E+01         -1.59893233121E-01      
 10      1.3346792E+01          2.72170032525E-03      
 11      6.7870510E+00          3.14751742993E-01      
 12      3.3916540E+00          4.75778690080E-01      
 13      1.6703270E+00          2.86322049435E-01      
P   13
  1      3.6511337E+04          1.22109729320E-05      
  2      8.6405510E+03          4.63777612483E-05      
  3      2.8056911E+03          2.10717047850E-04      
  4      1.0734961E+03          8.23608007837E-04      
  5      4.5577475E+02          2.85499274539E-03      
  6      2.0809432E+02          8.34041749477E-03      
  7      1.0023111E+02          1.98629433005E-02      
  8      5.0073522E+01          3.52118110077E-02      
  9      2.5700262E+01          3.95690901567E-02      
 10      1.3346792E+01         -5.43767249947E-03      
 11      6.7870510E+00         -9.34046480731E-02      
 12      3.3916540E+00         -1.53369610734E-01      
 13      1.6703270E+00         -1.01010700093E-01      
P   1
  1      7.5259900E-01          1.0000000        
P   1
  1      3.4681300E-01          1.0000000        
P   1
  1      1.5185500E-01          1.0000000        
P   1
  1      6.3856000E-02          1.0000000        
D   9
  1      1.6350663E+03          7.25558700068E-05      
  2      4.9467266E+02          6.28640009822E-04      
  3      1.9284388E+02          3.64476534202E-03      
  4      8.5782195E+01          1.52737412109E-02      
  5      4.1149966E+01          4.78308086821E-02      
  6      2.0678170E+01          1.16944999512E-01      
  7      1.0726386E+01          2.14752341714E-01      
  8      5.6124540E+00          2.91657604701E-01      
  9      2.9203760E+00          2.99813781925E-01      
D   1
  1      1.4981840E+00          1.0000000        
D   1
  1      7.3599900E-01          1.0000000        
D   1
  1      3.1600400E-01          1.0000000        
D   1
  1      1.3310000E-01          1.0000000        
F   1
  1      8.4420000E-01          1.0000000        
F   1
  1      4.2110000E-01          1.0000000        
F   1
  1      2.1000000E-01          1.0000000        
G   1
  1      8.6590000E-01          1.0000000        
G   1
  1      3.8500000E-01          1.0000000        
H   1
  1      7.2350000E-01          1.0000000        


name: cc-pV5Z(pt/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Br
data:
BROMINE
S   22
  1      1.6573515E+08          5.60557686207E-06      
  2      2.4774379E+07          1.62960925147E-05      
  3      5.6282020E+06          4.57089061738E-05      
  4      1.5918997E+06          1.17327362213E-04      
  5      5.1826380E+05          2.99692943040E-04      
  6      1.8649092E+05          7.55563946114E-04      
  7      7.2332493E+04          1.90068355186E-03      
  8      2.9761135E+04          4.71606671025E-03      
  9      1.2851712E+04          1.14527447152E-02      
 10      5.7809430E+03          2.68318107502E-02      
 11      2.6950098E+03          5.94131490147E-02      
 12      1.2976604E+03          1.20258961220E-01      
 13      6.4363493E+02          2.10682940164E-01      
 14      3.2795194E+02          2.91142340704E-01      
 15      1.7092262E+02          2.69818263123E-01      
 16      9.0250141E+01          1.29510778442E-01      
 17      4.6292467E+01          1.96916504209E-02      
 18      2.4848661E+01         -1.20231919776E-05      
 19      1.3347137E+01          4.10082189883E-04      
 20      6.9482580E+00         -2.14497029805E-04      
 21      3.6250750E+00          5.90688056727E-05      
 22      1.8821530E+00         -5.45874162330E-05      
S   22
  1      1.6573515E+08         -1.81030277448E-06      
  2      2.4774379E+07         -5.26925454034E-06      
  3      5.6282020E+06         -1.48068539762E-05      
  4      1.5918997E+06         -3.80923394383E-05      
  5      5.1826380E+05         -9.75816351546E-05      
  6      1.8649092E+05         -2.46647511573E-04      
  7      7.2332493E+04         -6.22730449838E-04      
  8      2.9761135E+04         -1.55085881034E-03      
  9      1.2851712E+04         -3.79581019590E-03      
 10      5.7809430E+03         -9.00527344492E-03      
 11      2.6950098E+03         -2.04990722476E-02      
 12      1.2976604E+03         -4.36324738659E-02      
 13      6.4363493E+02         -8.44922903226E-02      
 14      3.2795194E+02         -1.39222232753E-01      
 15      1.7092262E+02         -1.71592122986E-01      
 16      9.0250141E+01         -7.91021107758E-02      
 17      4.6292467E+01          2.30380298423E-01      
 18      2.4848661E+01          5.13937011310E-01      
 19      1.3347137E+01          3.58949912477E-01      
 20      6.9482580E+00          7.32074702437E-02      
 21      3.6250750E+00          2.98414755608E-03      
 22      1.8821530E+00          1.36500752039E-03      
S   22
  1      1.6573515E+08          7.21916809896E-07      
  2      2.4774379E+07          2.10157179437E-06      
  3      5.6282020E+06          5.90713748696E-06      
  4      1.5918997E+06          1.52002138057E-05      
  5      5.1826380E+05          3.89568023206E-05      
  6      1.8649092E+05          9.84855000139E-05      
  7      7.2332493E+04          2.48819487893E-04      
  8      2.9761135E+04          6.19802432896E-04      
  9      1.2851712E+04          1.51902790295E-03      
 10      5.7809430E+03          3.60831612754E-03      
 11      2.6950098E+03          8.24746633027E-03      
 12      1.2976604E+03          1.76624557756E-02      
 13      6.4363493E+02          3.46924940789E-02      
 14      3.2795194E+02          5.85485479626E-02      
 15      1.7092262E+02          7.54859352058E-02      
 16      9.0250141E+01          3.62973247347E-02      
 17      4.6292467E+01         -1.29413111063E-01      
 18      2.4848661E+01         -3.87182651181E-01      
 19      1.3347137E+01         -3.63544179619E-01      
 20      6.9482580E+00          1.60699079433E-01      
 21      3.6250750E+00          6.47879567212E-01      
 22      1.8821530E+00          4.43589301828E-01      
S   22
  1      1.6573515E+08         -2.21920552083E-07      
  2      2.4774379E+07         -6.46024705085E-07      
  3      5.6282020E+06         -1.81603917384E-06      
  4      1.5918997E+06         -4.67274295186E-06      
  5      5.1826380E+05         -1.19784263079E-05      
  6      1.8649092E+05         -3.02766983339E-05      
  7      7.2332493E+04         -7.65228815550E-05      
  8      2.9761135E+04         -1.90550552205E-04      
  9      1.2851712E+04         -4.67322500810E-04      
 10      5.7809430E+03         -1.10965586463E-03      
 11      2.6950098E+03         -2.53967833436E-03      
 12      1.2976604E+03         -5.43929919059E-03      
 13      6.4363493E+02         -1.07187744673E-02      
 14      3.2795194E+02         -1.81289429546E-02      
 15      1.7092262E+02         -2.35933798706E-02      
 16      9.0250141E+01         -1.13416911637E-02      
 17      4.6292467E+01          4.17448194710E-02      
 18      2.4848661E+01          1.32302071450E-01      
 19      1.3347137E+01          1.28121686426E-01      
 20      6.9482580E+00         -6.67548603616E-02      
 21      3.6250750E+00         -3.16127594765E-01      
 22      1.8821530E+00         -3.93782544998E-01      
S   1
  1      9.1082200E-01          1.0000000        
S   1
  1      4.6395700E-01          1.0000000        
S   1
  1      2.1693300E-01          1.0000000        
S   1
  1      9.8406000E-02          1.0000000        
P   13
  1      3.9391530E+04          1.31626673885E-04      
  2      9.3252225E+03          4.85523214682E-04      
  3      3.0289943E+03          2.16480451864E-03      
  4      1.1595145E+03          8.35271465540E-03      
  5      4.9268131E+02          2.83853303555E-02      
  6      2.2517451E+02          8.08360036994E-02      
  7      1.0859326E+02          1.84206898038E-01      
  8      5.4336079E+01          3.11546111588E-01      
  9      2.7936650E+01          3.41495145377E-01      
 10      1.4539626E+01          1.89895048809E-01      
 11      7.4213070E+00          3.89109310136E-02      
 12      3.7303890E+00          2.19092011082E-03      
 13      1.8541270E+00          6.65096646576E-04      
P   13
  1      3.9391530E+04         -5.30880539069E-05      
  2      9.3252225E+03         -1.96220271843E-04      
  3      3.0289943E+03         -8.77957868423E-04      
  4      1.1595145E+03         -3.40626927767E-03      
  5      4.9268131E+02         -1.17272672465E-02      
  6      2.2517451E+02         -3.42127594117E-02      
  7      1.0859326E+02         -8.11262403893E-02      
  8      5.4336079E+01         -1.44311617050E-01      
  9      2.7936650E+01         -1.62779528501E-01      
 10      1.4539626E+01         -3.08882113431E-03      
 11      7.4213070E+00          3.11193565100E-01      
 12      3.7303890E+00          4.79421361623E-01      
 13      1.8541270E+00          2.87313376438E-01      
P   13
  1      3.9391530E+04          1.37195057753E-05      
  2      9.3252225E+03          5.06588201189E-05      
  3      3.0289943E+03          2.27204814487E-04      
  4      1.1595145E+03          8.80122715909E-04      
  5      4.9268131E+02          3.04276576844E-03      
  6      2.2517451E+02          8.88027544946E-03      
  7      1.0859326E+02          2.12341936860E-02      
  8      5.4336079E+01          3.78840614876E-02      
  9      2.7936650E+01          4.32626593536E-02      
 10      1.4539626E+01         -4.51378003917E-03      
 11      7.4213070E+00         -9.96481752089E-02      
 12      3.7303890E+00         -1.68938216035E-01      
 13      1.8541270E+00         -1.06624266322E-01      
P   1
  1      8.4533700E-01          1.0000000        
P   1
  1      3.9215200E-01          1.0000000        
P   1
  1      1.7276700E-01          1.0000000        
P   1
  1      7.2908000E-02          1.0000000        
D   9
  1      1.8506354E+03          6.75698694903E-05      
  2      5.5707125E+02          5.86856575021E-04      
  3      2.1648687E+02          3.42902630368E-03      
  4      9.6138850E+01          1.45464211455E-02      
  5      4.6126380E+01          4.61601714308E-02      
  6      2.3201164E+01          1.14367664154E-01      
  7      1.2055926E+01          2.13407187240E-01      
  8      6.3255450E+00          2.94007335762E-01      
  9      3.3049220E+00          3.03761732629E-01      
D   1
  1      1.7042530E+00          1.0000000        
D   1
  1      8.3994000E-01          1.0000000        
D   1
  1      3.5695300E-01          1.0000000        
D   1
  1      1.5200000E-01          1.0000000        
F   1
  1      9.6270000E-01          1.0000000        
F   1
  1      4.9550000E-01          1.0000000        
F   1
  1      2.5500000E-01          1.0000000        
G   1
  1      9.7680000E-01          1.0000000        
G   1
  1      4.3900000E-01          1.0000000        
H   1
  1      8.1930000E-01          1.0000000        


name: cc-pV5Z(pt/sf/lc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   22
  1      1.8282209E+08          5.80889979986E-06      
  2      2.7356156E+07          1.67471636007E-05      
  3      6.2211704E+06          4.65643267572E-05      
  4      1.7602779E+06          1.18221761847E-04      
  5      5.7319382E+05          2.98568454316E-04      
  6      2.0625845E+05          7.44228777645E-04      
  7      8.0026669E+04          1.85280699515E-03      
  8      3.2939084E+04          4.56118094586E-03      
  9      1.4222633E+04          1.10235039054E-02      
 10      6.3930707E+03          2.57795959433E-02      
 11      2.9764538E+03          5.71634847001E-02      
 12      1.4305254E+03          1.16297964001E-01      
 13      7.0792621E+02          2.05725236039E-01      
 14      3.5984847E+02          2.88816177088E-01      
 15      1.8714965E+02          2.74582434918E-01      
 16      9.8634523E+01          1.37237310222E-01      
 17      5.0547869E+01          2.21873714866E-02      
 18      2.7167004E+01         -7.62172200650E-05      
 19      1.4615098E+01          4.99426459175E-04      
 20      7.6513520E+00         -2.60787977797E-04      
 21      3.9972630E+00          8.37183575651E-05      
 22      2.0858530E+00         -6.97643826944E-05      
S   22
  1      1.8282209E+08         -1.88417808479E-06      
  2      2.7356156E+07         -5.43876582915E-06      
  3      6.2211704E+06         -1.51499357143E-05      
  4      1.7602779E+06         -3.85525074556E-05      
  5      5.7319382E+05         -9.76544681618E-05      
  6      2.0625845E+05         -2.44078104767E-04      
  7      8.0026669E+04         -6.09942179336E-04      
  8      3.2939084E+04         -1.50716113918E-03      
  9      1.4222633E+04         -3.67073114784E-03      
 10      6.3930707E+03         -8.68914168438E-03      
 11      2.9764538E+03         -1.97880849302E-02      
 12      1.4305254E+03         -4.22569624787E-02      
 13      7.0792621E+02         -8.23472296551E-02      
 14      3.5984847E+02         -1.37113963616E-01      
 15      1.8714965E+02         -1.72454404370E-01      
 16      9.8634523E+01         -8.75618264354E-02      
 17      5.0547869E+01          2.15083543989E-01      
 18      2.7167004E+01          5.09591725934E-01      
 19      1.4615098E+01          3.71898826442E-01      
 20      7.6513520E+00          8.07215107533E-02      
 21      3.9972630E+00          3.54890220623E-03      
 22      2.0858530E+00          1.37712493660E-03      
S   22
  1      1.8282209E+08          7.58561177049E-07      
  2      2.7356156E+07          2.18993437464E-06      
  3      6.2211704E+06          6.10178538935E-06      
  4      1.7602779E+06          1.55313290339E-05      
  5      5.7319382E+05          3.93590884259E-05      
  6      2.0625845E+05          9.83987271233E-05      
  7      8.0026669E+04          2.46048890898E-04      
  8      3.2939084E+04          6.08170947642E-04      
  9      1.4222633E+04          1.48305077023E-03      
 10      6.3930707E+03          3.51525901321E-03      
 11      2.9764538E+03          8.03642331966E-03      
 12      1.4305254E+03          1.72664802707E-02      
 13      7.0792621E+02          3.41105749593E-02      
 14      3.5984847E+02          5.81545359849E-02      
 15      1.8714965E+02          7.64258242601E-02      
 16      9.8634523E+01          4.06175450465E-02      
 17      5.0547869E+01         -1.21716611161E-01      
 18      2.7167004E+01         -3.83224935778E-01      
 19      1.4615098E+01         -3.79196594924E-01      
 20      7.6513520E+00          1.36941965667E-01      
 21      3.9972630E+00          6.52033455337E-01      
 22      2.0858530E+00          4.56880180098E-01      
S   22
  1      1.8282209E+08         -2.42198547151E-07      
  2      2.7356156E+07         -6.99200170743E-07      
  3      6.2211704E+06         -1.94840919108E-06      
  4      1.7602779E+06         -4.95898374588E-06      
  5      5.7319382E+05         -1.25703491907E-05      
  6      2.0625845E+05         -3.14181377118E-05      
  7      8.0026669E+04         -7.86016443594E-05      
  8      3.2939084E+04         -1.94189585494E-04      
  9      1.4222633E+04         -4.73946244597E-04      
 10      6.3930707E+03         -1.12271350838E-03      
 11      2.9764538E+03         -2.57076315005E-03      
 12      1.4305254E+03         -5.52203446864E-03      
 13      7.0792621E+02         -1.09489746630E-02      
 14      3.5984847E+02         -1.86977982362E-02      
 15      1.8714965E+02         -2.48256870099E-02      
 16      9.8634523E+01         -1.31692603772E-02      
 17      5.0547869E+01          4.07301659848E-02      
 18      2.7167004E+01          1.36296309598E-01      
 19      1.4615098E+01          1.39041651046E-01      
 20      7.6513520E+00         -5.86634391110E-02      
 21      3.9972630E+00         -3.34505045106E-01      
 22      2.0858530E+00         -4.20210533200E-01      
S   1
  1      1.0147970E+00          1.0000000        
S   1
  1      5.1978800E-01          1.0000000        
S   1
  1      2.4510300E-01          1.0000000        
S   1
  1      1.1189600E-01          1.0000000        
P   13
  1      4.2993056E+04          1.34311042906E-04      
  2      1.0173723E+04          4.80607883224E-04      
  3      3.3031057E+03          2.11344291351E-03      
  4      1.2635400E+03          8.09999625355E-03      
  5      5.3636546E+02          2.75418378566E-02      
  6      2.4487617E+02          7.87513104698E-02      
  7      1.1799117E+02          1.80764464884E-01      
  8      5.9021248E+01          3.08653608583E-01      
  9      3.0356067E+01          3.42987887270E-01      
 10      1.5819977E+01          1.94917384704E-01      
 11      8.1045800E+00          4.13832975439E-02      
 12      4.0979640E+00          2.33924063237E-03      
 13      2.0560610E+00          6.73098147503E-04      
P   13
  1      4.2993056E+04         -5.49020684329E-05      
  2      1.0173723E+04         -1.96885847339E-04      
  3      3.3031057E+03         -8.68759449783E-04      
  4      1.2635400E+03         -3.34832641661E-03      
  5      5.3636546E+02         -1.15307743313E-02      
  6      2.4487617E+02         -3.37710593283E-02      
  7      1.1799117E+02         -8.06430527304E-02      
  8      5.9021248E+01         -1.44879823816E-01      
  9      3.0356067E+01         -1.65965676698E-01      
 10      1.5819977E+01         -9.45566719920E-03      
 11      8.1045800E+00          3.06972612047E-01      
 12      4.0979640E+00          4.82698682889E-01      
 13      2.0560610E+00          2.89266491674E-01      
P   13
  1      4.2993056E+04          1.49034093463E-05      
  2      1.0173723E+04          5.33880137431E-05      
  3      3.3031057E+03          2.36188991251E-04      
  4      1.2635400E+03          9.08675953635E-04      
  5      5.3636546E+02          3.14340290354E-03      
  6      2.4487617E+02          9.20800704945E-03      
  7      1.1799117E+02          2.21863239488E-02      
  8      5.9021248E+01          3.99726485076E-02      
  9      3.0356067E+01          4.64269131352E-02      
 10      1.5819977E+01         -3.12488357309E-03      
 11      8.1045800E+00         -1.04188243195E-01      
 12      4.0979640E+00         -1.81952212519E-01      
 13      2.0560610E+00         -1.11476769063E-01      
P   1
  1      9.5214500E-01          1.0000000        
P   1
  1      4.4477400E-01          1.0000000        
P   1
  1      1.9749600E-01          1.0000000        
P   1
  1      8.3823000E-02          1.0000000        
D   9
  1      2.0674360E+03          6.37616539818E-05      
  2      6.2569371E+02          5.42301688134E-04      
  3      2.4394679E+02          3.16075510613E-03      
  4      1.0842373E+02          1.35659834102E-02      
  5      5.2005216E+01          4.38936136594E-02      
  6      2.6115405E+01          1.11100936568E-01      
  7      1.3546748E+01          2.11943594788E-01      
  8      7.1058100E+00          2.96576598774E-01      
  9      3.7215540E+00          3.07571236164E-01      
D   1
  1      1.9291200E+00          1.0000000        
D   1
  1      9.5582600E-01          1.0000000        
D   1
  1      4.0519700E-01          1.0000000        
D   1
  1      1.7410000E-01          1.0000000        
F   1
  1      1.0940000E+00          1.0000000        
F   1
  1      5.8700000E-01          1.0000000        
F   1
  1      3.1500000E-01          1.0000000        
G   1
  1      1.1040000E+00          1.0000000        
G   1
  1      5.0100000E-01          1.0000000        
H   1
  1      9.3030000E-01          1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Sc
data:
SCANDIUM
S   1
  1    228.5930000              1.0000000        
S   1
  1    105.6560000              1.0000000        
S   1
  1     52.1820000              1.0000000        
S   1
  1     22.6151000              1.0000000        
S   1
  1      8.1851300              1.0000000        
S   1
  1      2.7557900              1.0000000        
S   1
  1      1.6842100              1.0000000        
S   1
  1      1.0342000              1.0000000        
S   1
  1      0.5652380              1.0000000        
S   1
  1      0.2622400              1.0000000        
S   1
  1      0.1529780              1.0000000        
S   1
  1      0.0844840              1.0000000        
S   1
  1      0.0472720              1.0000000        
P   1
  1     89.5102000              1.0000000        
P   1
  1     38.2945000              1.0000000        
P   1
  1     16.7646000              1.0000000        
P   1
  1      7.5632100              1.0000000        
P   1
  1      2.5916300              1.0000000        
P   1
  1      1.4429200              1.0000000        
P   1
  1      1.0418700              1.0000000        
P   1
  1      0.6993540              1.0000000        
P   1
  1      0.3389220              1.0000000        
P   1
  1      0.1755120              1.0000000        
P   1
  1      0.0968660              1.0000000        
P   1
  1      0.0500370              1.0000000        
D   1
  1     30.1125000              1.0000000        
D   1
  1     14.0774000              1.0000000        
D   1
  1      5.7922400              1.0000000        
D   1
  1      2.4811100              1.0000000        
D   1
  1      1.6445800              1.0000000        
D   1
  1      0.7354520              1.0000000        
D   1
  1      0.4355810              1.0000000        
D   1
  1      0.2247210              1.0000000        
D   1
  1      0.1322840              1.0000000        
D   1
  1      0.0822010              1.0000000        
D   1
  1      0.0402500              1.0000000        
F   1
  1     25.3434000              1.0000000        
F   1
  1     11.6946000              1.0000000        
F   1
  1      5.4440000              1.0000000        
F   1
  1      3.2862100              1.0000000        
F   1
  1      1.5018800              1.0000000        
F   1
  1      0.9801550              1.0000000        
F   1
  1      0.4249380              1.0000000        
F   1
  1      0.2828750              1.0000000        
F   1
  1      0.1236490              1.0000000        
F   1
  1      0.0644760              1.0000000        
G   1
  1     15.6655000              1.0000000        
G   1
  1      6.4122700              1.0000000        
G   1
  1      3.0397200              1.0000000        
G   1
  1      1.9018000              1.0000000        
G   1
  1      0.8199130              1.0000000        
G   1
  1      0.5350670              1.0000000        
G   1
  1      0.2266020              1.0000000        
G   1
  1      0.1170540              1.0000000        
G   1
  1      0.0642340              1.0000000        
H   1
  1      8.4046100              1.0000000        
H   1
  1      3.4889000              1.0000000        
H   1
  1      1.4124000              1.0000000        
H   1
  1      0.7230170              1.0000000        
H   1
  1      0.4023960              1.0000000        
H   1
  1      0.1647560              1.0000000        
I   1
  1      6.6768200              1.0000000        
I   1
  1      2.6880000              1.0000000        
I   1
  1      1.0378700              1.0000000        
I   1
  1      0.6330330              1.0000000        
I   1
  1      0.2856600              1.0000000        
K   1
  1      4.5106000              1.0000000        
K   1
  1      2.0090200              1.0000000        
K   1
  1      1.3020100              1.0000000        
K   1
  1      0.5109810              1.0000000        
L   1
  1      1.7649100              1.0000000        
L   1
  1      0.8174360              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Ti
data:
TITANIUM
S   1
  1    245.7080000              1.0000000        
S   1
  1    119.8290000              1.0000000        
S   1
  1     57.5570000              1.0000000        
S   1
  1     24.3454000              1.0000000        
S   1
  1      9.3231600              1.0000000        
S   1
  1      3.1003500              1.0000000        
S   1
  1      1.7649400              1.0000000        
S   1
  1      0.8783330              1.0000000        
S   1
  1      0.5155950              1.0000000        
S   1
  1      0.2695470              1.0000000        
S   1
  1      0.1422140              1.0000000        
S   1
  1      0.0756380              1.0000000        
S   1
  1      0.0443810              1.0000000        
P   1
  1     93.6120000              1.0000000        
P   1
  1     43.5094000              1.0000000        
P   1
  1     18.8788000              1.0000000        
P   1
  1      7.8155300              1.0000000        
P   1
  1      2.7571700              1.0000000        
P   1
  1      1.5039100              1.0000000        
P   1
  1      0.9222230              1.0000000        
P   1
  1      0.6661050              1.0000000        
P   1
  1      0.3942750              1.0000000        
P   1
  1      0.2025560              1.0000000        
P   1
  1      0.1131190              1.0000000        
P   1
  1      0.0544830              1.0000000        
D   1
  1     31.3895000              1.0000000        
D   1
  1     14.4215000              1.0000000        
D   1
  1      5.9473500              1.0000000        
D   1
  1      2.6083900              1.0000000        
D   1
  1      1.8612800              1.0000000        
D   1
  1      0.7957810              1.0000000        
D   1
  1      0.4129310              1.0000000        
D   1
  1      0.2424610              1.0000000        
D   1
  1      0.1255810              1.0000000        
D   1
  1      0.0652700              1.0000000        
D   1
  1      0.0276990              1.0000000        
F   1
  1     27.3085000              1.0000000        
F   1
  1     11.8592000              1.0000000        
F   1
  1      5.5023700              1.0000000        
F   1
  1      3.4998900              1.0000000        
F   1
  1      1.7525700              1.0000000        
F   1
  1      1.0479900              1.0000000        
F   1
  1      0.5148330              1.0000000        
F   1
  1      0.2783490              1.0000000        
F   1
  1      0.1627010              1.0000000        
F   1
  1      0.0845540              1.0000000        
G   1
  1     16.6899000              1.0000000        
G   1
  1      6.5975900              1.0000000        
G   1
  1      3.2963100              1.0000000        
G   1
  1      1.9962800              1.0000000        
G   1
  1      1.0361200              1.0000000        
G   1
  1      0.5905930              1.0000000        
G   1
  1      0.3120720              1.0000000        
G   1
  1      0.1447340              1.0000000        
G   1
  1      0.0929420              1.0000000        
H   1
  1      9.0591700              1.0000000        
H   1
  1      4.8383700              1.0000000        
H   1
  1      2.1668800              1.0000000        
H   1
  1      1.1445900              1.0000000        
H   1
  1      0.6253810              1.0000000        
H   1
  1      0.2583160              1.0000000        
I   1
  1      7.1498700              1.0000000        
I   1
  1      3.7016600              1.0000000        
I   1
  1      1.8009700              1.0000000        
I   1
  1      1.1142000              1.0000000        
I   1
  1      0.4423240              1.0000000        
K   1
  1      4.6411100              1.0000000        
K   1
  1      2.5577300              1.0000000        
K   1
  1      1.3864500              1.0000000        
K   1
  1      0.7430420              1.0000000        
L   1
  1      2.7794500              1.0000000        
L   1
  1      1.4069300              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: V
data:
VANADIUM
S   1
  1    294.8300000              1.0000000        
S   1
  1    152.4960000              1.0000000        
S   1
  1     68.3160000              1.0000000        
S   1
  1     27.9552000              1.0000000        
S   1
  1     10.7223000              1.0000000        
S   1
  1      4.6113400              1.0000000        
S   1
  1      2.4806700              1.0000000        
S   1
  1      1.2982500              1.0000000        
S   1
  1      0.6571330              1.0000000        
S   1
  1      0.3741100              1.0000000        
S   1
  1      0.1849600              1.0000000        
S   1
  1      0.0961190              1.0000000        
S   1
  1      0.0587170              1.0000000        
P   1
  1    119.4120000              1.0000000        
P   1
  1     53.8088000              1.0000000        
P   1
  1     20.9444000              1.0000000        
P   1
  1      9.2701600              1.0000000        
P   1
  1      3.6502800              1.0000000        
P   1
  1      1.6550800              1.0000000        
P   1
  1      0.9771660              1.0000000        
P   1
  1      0.7021280              1.0000000        
P   1
  1      0.5098420              1.0000000        
P   1
  1      0.2220960              1.0000000        
P   1
  1      0.1154290              1.0000000        
P   1
  1      0.0629740              1.0000000        
D   1
  1     32.1511000              1.0000000        
D   1
  1     15.2075000              1.0000000        
D   1
  1      7.0264300              1.0000000        
D   1
  1      4.3947000              1.0000000        
D   1
  1      2.6847600              1.0000000        
D   1
  1      1.3694300              1.0000000        
D   1
  1      0.8044410              1.0000000        
D   1
  1      0.4383160              1.0000000        
D   1
  1      0.2103520              1.0000000        
D   1
  1      0.1286580              1.0000000        
D   1
  1      0.0667280              1.0000000        
F   1
  1     37.7233000              1.0000000        
F   1
  1     12.3598000              1.0000000        
F   1
  1      6.7345300              1.0000000        
F   1
  1      3.8828000              1.0000000        
F   1
  1      2.1931800              1.0000000        
F   1
  1      1.1142600              1.0000000        
F   1
  1      0.6509980              1.0000000        
F   1
  1      0.3111540              1.0000000        
F   1
  1      0.1613310              1.0000000        
F   1
  1      0.0860890              1.0000000        
G   1
  1     24.6580000              1.0000000        
G   1
  1      9.1963100              1.0000000        
G   1
  1      5.3777900              1.0000000        
G   1
  1      3.3529700              1.0000000        
G   1
  1      2.1661100              1.0000000        
G   1
  1      1.0992700              1.0000000        
G   1
  1      0.4705120              1.0000000        
G   1
  1      0.2879430              1.0000000        
G   1
  1      0.1356520              1.0000000        
H   1
  1     12.0383000              1.0000000        
H   1
  1      6.3089000              1.0000000        
H   1
  1      2.8028500              1.0000000        
H   1
  1      1.5443100              1.0000000        
H   1
  1      0.8416840              1.0000000        
H   1
  1      0.3494730              1.0000000        
I   1
  1      8.4503400              1.0000000        
I   1
  1      4.6613100              1.0000000        
I   1
  1      1.9140400              1.0000000        
I   1
  1      0.9502380              1.0000000        
I   1
  1      0.5583180              1.0000000        
K   1
  1      8.4126200              1.0000000        
K   1
  1      3.7763400              1.0000000        
K   1
  1      2.4141200              1.0000000        
K   1
  1      1.0633700              1.0000000        
L   1
  1      4.2322700              1.0000000        
L   1
  1      2.1388100              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Cr
data:
CHROMIUM
S   1
  1    345.7490000              1.0000000        
S   1
  1    173.4600000              1.0000000        
S   1
  1     76.3031000              1.0000000        
S   1
  1     31.9512000              1.0000000        
S   1
  1     11.9227000              1.0000000        
S   1
  1      5.4082900              1.0000000        
S   1
  1      3.2655400              1.0000000        
S   1
  1      1.7980400              1.0000000        
S   1
  1      0.7273280              1.0000000        
S   1
  1      0.4928070              1.0000000        
S   1
  1      0.2462630              1.0000000        
S   1
  1      0.1400430              1.0000000        
S   1
  1      0.0713240              1.0000000        
P   1
  1    142.4390000              1.0000000        
P   1
  1     59.9406000              1.0000000        
P   1
  1     23.6255000              1.0000000        
P   1
  1     10.3934000              1.0000000        
P   1
  1      4.3221600              1.0000000        
P   1
  1      1.8586600              1.0000000        
P   1
  1      1.1959800              1.0000000        
P   1
  1      0.8228320              1.0000000        
P   1
  1      0.5636810              1.0000000        
P   1
  1      0.2538130              1.0000000        
P   1
  1      0.1313080              1.0000000        
P   1
  1      0.0669510              1.0000000        
D   1
  1     32.7139000              1.0000000        
D   1
  1     15.8415000              1.0000000        
D   1
  1      7.8138700              1.0000000        
D   1
  1      4.9436800              1.0000000        
D   1
  1      2.7326200              1.0000000        
D   1
  1      1.7733400              1.0000000        
D   1
  1      0.8089420              1.0000000        
D   1
  1      0.5466710              1.0000000        
D   1
  1      0.2208630              1.0000000        
D   1
  1      0.1556800              1.0000000        
D   1
  1      0.0777730              1.0000000        
F   1
  1     43.8090000              1.0000000        
F   1
  1     13.9163000              1.0000000        
F   1
  1      7.2145000              1.0000000        
F   1
  1      4.1983200              1.0000000        
F   1
  1      2.5598500              1.0000000        
F   1
  1      1.1717100              1.0000000        
F   1
  1      0.7417190              1.0000000        
F   1
  1      0.3385600              1.0000000        
F   1
  1      0.1779650              1.0000000        
F   1
  1      0.0865690              1.0000000        
G   1
  1     32.3600000              1.0000000        
G   1
  1     12.3382000              1.0000000        
G   1
  1      6.7983000              1.0000000        
G   1
  1      4.3248200              1.0000000        
G   1
  1      1.9822700              1.0000000        
G   1
  1      1.1777800              1.0000000        
G   1
  1      0.5355170              1.0000000        
G   1
  1      0.2953820              1.0000000        
G   1
  1      0.1502290              1.0000000        
H   1
  1     15.3952000              1.0000000        
H   1
  1      8.0761000              1.0000000        
H   1
  1      3.4385100              1.0000000        
H   1
  1      1.9790700              1.0000000        
H   1
  1      1.0535800              1.0000000        
H   1
  1      0.4305510              1.0000000        
I   1
  1     10.1607000              1.0000000        
I   1
  1      5.6370800              1.0000000        
I   1
  1      2.5652000              1.0000000        
I   1
  1      1.6414200              1.0000000        
I   1
  1      0.7274100              1.0000000        
K   1
  1     10.6125000              1.0000000        
K   1
  1      4.5840100              1.0000000        
K   1
  1      2.6706500              1.0000000        
K   1
  1      1.3073900              1.0000000        
L   1
  1      5.4194300              1.0000000        
L   1
  1      2.8851100              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Mn
data:
MANGANESE
S   1
  1    382.4970000              1.0000000        
S   1
  1    195.3480000              1.0000000        
S   1
  1     83.2642000              1.0000000        
S   1
  1     34.9383000              1.0000000        
S   1
  1     12.9203000              1.0000000        
S   1
  1      6.0208100              1.0000000        
S   1
  1      3.3670000              1.0000000        
S   1
  1      1.8517000              1.0000000        
S   1
  1      0.7197120              1.0000000        
S   1
  1      0.5395300              1.0000000        
S   1
  1      0.2311770              1.0000000        
S   1
  1      0.1485010              1.0000000        
S   1
  1      0.0753130              1.0000000        
P   1
  1    150.3640000              1.0000000        
P   1
  1     64.9717000              1.0000000        
P   1
  1     24.9382000              1.0000000        
P   1
  1     10.9290000              1.0000000        
P   1
  1      5.1832500              1.0000000        
P   1
  1      2.1282400              1.0000000        
P   1
  1      1.3154600              1.0000000        
P   1
  1      0.8738670              1.0000000        
P   1
  1      0.5936140              1.0000000        
P   1
  1      0.2759810              1.0000000        
P   1
  1      0.1347950              1.0000000        
P   1
  1      0.0694290              1.0000000        
D   1
  1     33.7152000              1.0000000        
D   1
  1     17.1150000              1.0000000        
D   1
  1      8.9306600              1.0000000        
D   1
  1      5.1600000              1.0000000        
D   1
  1      2.8184000              1.0000000        
D   1
  1      1.8037500              1.0000000        
D   1
  1      0.7237970              1.0000000        
D   1
  1      0.5447030              1.0000000        
D   1
  1      0.2376180              1.0000000        
D   1
  1      0.1599580              1.0000000        
D   1
  1      0.0822370              1.0000000        
F   1
  1     52.2649000              1.0000000        
F   1
  1     16.1420000              1.0000000        
F   1
  1      9.0036000              1.0000000        
F   1
  1      4.4984200              1.0000000        
F   1
  1      2.8521400              1.0000000        
F   1
  1      1.3385400              1.0000000        
F   1
  1      0.8269030              1.0000000        
F   1
  1      0.3846820              1.0000000        
F   1
  1      0.1844180              1.0000000        
F   1
  1      0.0908160              1.0000000        
G   1
  1     40.7104000              1.0000000        
G   1
  1     15.1368000              1.0000000        
G   1
  1      7.1765900              1.0000000        
G   1
  1      4.3681800              1.0000000        
G   1
  1      2.5322000              1.0000000        
G   1
  1      1.2261700              1.0000000        
G   1
  1      0.6526750              1.0000000        
G   1
  1      0.3038220              1.0000000        
G   1
  1      0.1549830              1.0000000        
H   1
  1     17.8556000              1.0000000        
H   1
  1     10.1186000              1.0000000        
H   1
  1      4.7352500              1.0000000        
H   1
  1      2.9502800              1.0000000        
H   1
  1      1.3430600              1.0000000        
H   1
  1      0.5328350              1.0000000        
I   1
  1     12.3464000              1.0000000        
I   1
  1      6.6767900              1.0000000        
I   1
  1      3.0423500              1.0000000        
I   1
  1      1.8182300              1.0000000        
I   1
  1      0.8878140              1.0000000        
K   1
  1     11.3038000              1.0000000        
K   1
  1      5.1812900              1.0000000        
K   1
  1      3.0282500              1.0000000        
K   1
  1      1.5617300              1.0000000        
L   1
  1      6.1903400              1.0000000        
L   1
  1      3.4789600              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Fe
data:
IRON
S   1
  1    411.1890000              1.0000000        
S   1
  1    219.3440000              1.0000000        
S   1
  1     92.2630000              1.0000000        
S   1
  1     38.9379000              1.0000000        
S   1
  1     14.7748000              1.0000000        
S   1
  1      6.7810200              1.0000000        
S   1
  1      3.6440600              1.0000000        
S   1
  1      1.9916000              1.0000000        
S   1
  1      0.9062710              1.0000000        
S   1
  1      0.5038520              1.0000000        
S   1
  1      0.2307760              1.0000000        
S   1
  1      0.1158460              1.0000000        
S   1
  1      0.0784530              1.0000000        
P   1
  1    158.3620000              1.0000000        
P   1
  1     70.9705000              1.0000000        
P   1
  1     27.6364000              1.0000000        
P   1
  1     11.7256000              1.0000000        
P   1
  1      5.9769000              1.0000000        
P   1
  1      2.7397800              1.0000000        
P   1
  1      1.4854200              1.0000000        
P   1
  1      0.8991700              1.0000000        
P   1
  1      0.6146010              1.0000000        
P   1
  1      0.2896910              1.0000000        
P   1
  1      0.1302510              1.0000000        
P   1
  1      0.0703730              1.0000000        
D   1
  1     36.9160000              1.0000000        
D   1
  1     18.3114000              1.0000000        
D   1
  1      9.2354900              1.0000000        
D   1
  1      5.7967600              1.0000000        
D   1
  1      2.9828500              1.0000000        
D   1
  1      1.9826100              1.0000000        
D   1
  1      0.8107060              1.0000000        
D   1
  1      0.5026580              1.0000000        
D   1
  1      0.2408840              1.0000000        
D   1
  1      0.1231920              1.0000000        
D   1
  1      0.0569370              1.0000000        
F   1
  1     56.8614000              1.0000000        
F   1
  1     17.4576000              1.0000000        
F   1
  1      9.6044400              1.0000000        
F   1
  1      4.9815200              1.0000000        
F   1
  1      3.0770800              1.0000000        
F   1
  1      1.5438700              1.0000000        
F   1
  1      0.8826790              1.0000000        
F   1
  1      0.4397560              1.0000000        
F   1
  1      0.2150220              1.0000000        
F   1
  1      0.0875840              1.0000000        
G   1
  1     44.7336000              1.0000000        
G   1
  1     16.8902000              1.0000000        
G   1
  1      7.9774800              1.0000000        
G   1
  1      4.7210700              1.0000000        
G   1
  1      2.9566300              1.0000000        
G   1
  1      1.4439600              1.0000000        
G   1
  1      0.7932250              1.0000000        
G   1
  1      0.3591730              1.0000000        
G   1
  1      0.1873470              1.0000000        
H   1
  1     20.0636000              1.0000000        
H   1
  1     10.9289000              1.0000000        
H   1
  1      5.6673100              1.0000000        
H   1
  1      3.4618800              1.0000000        
H   1
  1      1.6017100              1.0000000        
H   1
  1      0.6319300              1.0000000        
I   1
  1     14.3505000              1.0000000        
I   1
  1      8.0563600              1.0000000        
I   1
  1      3.7834700              1.0000000        
I   1
  1      2.4641500              1.0000000        
I   1
  1      1.0992300              1.0000000        
K   1
  1     11.8214000              1.0000000        
K   1
  1      6.4062400              1.0000000        
K   1
  1      3.1970600              1.0000000        
K   1
  1      1.8816300              1.0000000        
L   1
  1      7.7814000              1.0000000        
L   1
  1      4.2495800              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Co
data:
COBALT
S   1
  1    432.1520000              1.0000000        
S   1
  1    225.9270000              1.0000000        
S   1
  1     99.2568000              1.0000000        
S   1
  1     44.1779000              1.0000000        
S   1
  1     15.2915000              1.0000000        
S   1
  1      7.1067700              1.0000000        
S   1
  1      3.7253800              1.0000000        
S   1
  1      2.0892300              1.0000000        
S   1
  1      1.0375200              1.0000000        
S   1
  1      0.5495140              1.0000000        
S   1
  1      0.2570860              1.0000000        
S   1
  1      0.1285150              1.0000000        
S   1
  1      0.0867490              1.0000000        
P   1
  1    164.3500000              1.0000000        
P   1
  1     74.9611000              1.0000000        
P   1
  1     30.5499000              1.0000000        
P   1
  1     12.8556000              1.0000000        
P   1
  1      6.8922000              1.0000000        
P   1
  1      3.2684800              1.0000000        
P   1
  1      1.6276200              1.0000000        
P   1
  1      1.0932500              1.0000000        
P   1
  1      0.6244240              1.0000000        
P   1
  1      0.3209090              1.0000000        
P   1
  1      0.1413560              1.0000000        
P   1
  1      0.0735480              1.0000000        
D   1
  1     42.1893000              1.0000000        
D   1
  1     20.1854000              1.0000000        
D   1
  1      9.9394300              1.0000000        
D   1
  1      6.1350100              1.0000000        
D   1
  1      3.2056900              1.0000000        
D   1
  1      2.0670700              1.0000000        
D   1
  1      0.9544640              1.0000000        
D   1
  1      0.5432800              1.0000000        
D   1
  1      0.2772830              1.0000000        
D   1
  1      0.1440420              1.0000000        
D   1
  1      0.0581040              1.0000000        
F   1
  1     66.2260000              1.0000000        
F   1
  1     19.0702000              1.0000000        
F   1
  1     11.0038000              1.0000000        
F   1
  1      5.5802400              1.0000000        
F   1
  1      3.4573500              1.0000000        
F   1
  1      1.7570400              1.0000000        
F   1
  1      0.9857360              1.0000000        
F   1
  1      0.5018100              1.0000000        
F   1
  1      0.2363370              1.0000000        
F   1
  1      0.1089680              1.0000000        
G   1
  1     47.4907000              1.0000000        
G   1
  1     18.4226000              1.0000000        
G   1
  1      8.9498000              1.0000000        
G   1
  1      4.9341300              1.0000000        
G   1
  1      3.4336100              1.0000000        
G   1
  1      1.6428600              1.0000000        
G   1
  1      0.9322760              1.0000000        
G   1
  1      0.3998840              1.0000000        
G   1
  1      0.2039920              1.0000000        
H   1
  1     22.0873000              1.0000000        
H   1
  1     11.4735000              1.0000000        
H   1
  1      6.1211300              1.0000000        
H   1
  1      3.4874800              1.0000000        
H   1
  1      1.8250600              1.0000000        
H   1
  1      0.7235970              1.0000000        
I   1
  1     15.8912000              1.0000000        
I   1
  1      9.1865300              1.0000000        
I   1
  1      4.3933000              1.0000000        
I   1
  1      2.8830600              1.0000000        
I   1
  1      1.2959900              1.0000000        
K   1
  1     12.6816000              1.0000000        
K   1
  1      7.1433900              1.0000000        
K   1
  1      3.2655400              1.0000000        
K   1
  1      2.0462700              1.0000000        
L   1
  1      9.1235000              1.0000000        
L   1
  1      4.9821500              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Ni
data:
NICKEL
S   1
  1    457.0840000              1.0000000        
S   1
  1    239.8970000              1.0000000        
S   1
  1    108.2470000              1.0000000        
S   1
  1     49.1719000              1.0000000        
S   1
  1     17.8895000              1.0000000        
S   1
  1      7.5043000              1.0000000        
S   1
  1      3.9649600              1.0000000        
S   1
  1      2.1186600              1.0000000        
S   1
  1      1.1123600              1.0000000        
S   1
  1      0.5665550              1.0000000        
S   1
  1      0.2763600              1.0000000        
S   1
  1      0.1505550              1.0000000        
S   1
  1      0.0904040              1.0000000        
P   1
  1    176.5170000              1.0000000        
P   1
  1     79.1721000              1.0000000        
P   1
  1     32.8068000              1.0000000        
P   1
  1     14.4264000              1.0000000        
P   1
  1      8.3333900              1.0000000        
P   1
  1      3.4821500              1.0000000        
P   1
  1      1.6832300              1.0000000        
P   1
  1      1.2487600              1.0000000        
P   1
  1      0.6681630              1.0000000        
P   1
  1      0.3154830              1.0000000        
P   1
  1      0.1433670              1.0000000        
P   1
  1      0.0744960              1.0000000        
D   1
  1     46.2583000              1.0000000        
D   1
  1     23.1481000              1.0000000        
D   1
  1     10.9409000              1.0000000        
D   1
  1      7.1479400              1.0000000        
D   1
  1      3.3997400              1.0000000        
D   1
  1      2.3684300              1.0000000        
D   1
  1      1.0880100              1.0000000        
D   1
  1      0.5936540              1.0000000        
D   1
  1      0.3020930              1.0000000        
D   1
  1      0.1601660              1.0000000        
D   1
  1      0.0616970              1.0000000        
F   1
  1     71.5258000              1.0000000        
F   1
  1     21.2206000              1.0000000        
F   1
  1     12.7264000              1.0000000        
F   1
  1      6.1960100              1.0000000        
F   1
  1      4.1926100              1.0000000        
F   1
  1      1.9658000              1.0000000        
F   1
  1      1.1181900              1.0000000        
F   1
  1      0.5628310              1.0000000        
F   1
  1      0.2830350              1.0000000        
F   1
  1      0.1310830              1.0000000        
G   1
  1     54.4630000              1.0000000        
G   1
  1     20.4926000              1.0000000        
G   1
  1      9.7906000              1.0000000        
G   1
  1      5.1728100              1.0000000        
G   1
  1      3.6255800              1.0000000        
G   1
  1      1.7112200              1.0000000        
G   1
  1      1.0577500              1.0000000        
G   1
  1      0.4613740              1.0000000        
G   1
  1      0.2379340              1.0000000        
H   1
  1     25.1598000              1.0000000        
H   1
  1     13.4545000              1.0000000        
H   1
  1      6.6873800              1.0000000        
H   1
  1      3.6524600              1.0000000        
H   1
  1      2.1000100              1.0000000        
H   1
  1      0.8585480              1.0000000        
I   1
  1     16.9962000              1.0000000        
I   1
  1      9.8992600              1.0000000        
I   1
  1      5.0896500              1.0000000        
I   1
  1      3.4040600              1.0000000        
I   1
  1      1.5656200              1.0000000        
K   1
  1     13.9590000              1.0000000        
K   1
  1      8.0774900              1.0000000        
K   1
  1      3.4781400              1.0000000        
K   1
  1      2.1695900              1.0000000        
L   1
  1     10.7906000              1.0000000        
L   1
  1      5.8820100              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Cu
data:
COPPER
S   1
  1    472.2810000              1.0000000        
S   1
  1    248.1180000              1.0000000        
S   1
  1    116.4960000              1.0000000        
S   1
  1     52.3941000              1.0000000        
S   1
  1     20.8846000              1.0000000        
S   1
  1      8.7302600              1.0000000        
S   1
  1      4.2917600              1.0000000        
S   1
  1      2.2133700              1.0000000        
S   1
  1      1.2870200              1.0000000        
S   1
  1      0.5878540              1.0000000        
S   1
  1      0.3356620              1.0000000        
S   1
  1      0.1663080              1.0000000        
S   1
  1      0.0939550              1.0000000        
P   1
  1    183.5390000              1.0000000        
P   1
  1     82.1483000              1.0000000        
P   1
  1     36.7200000              1.0000000        
P   1
  1     15.7580000              1.0000000        
P   1
  1      9.8052100              1.0000000        
P   1
  1      3.9165600              1.0000000        
P   1
  1      1.7510300              1.0000000        
P   1
  1      1.3812400              1.0000000        
P   1
  1      0.7155100              1.0000000        
P   1
  1      0.3365950              1.0000000        
P   1
  1      0.1504370              1.0000000        
P   1
  1      0.0771550              1.0000000        
D   1
  1     49.6498000              1.0000000        
D   1
  1     25.9773000              1.0000000        
D   1
  1     11.8487000              1.0000000        
D   1
  1      8.2504800              1.0000000        
D   1
  1      3.7146000              1.0000000        
D   1
  1      2.6450800              1.0000000        
D   1
  1      1.1800600              1.0000000        
D   1
  1      0.6411530              1.0000000        
D   1
  1      0.3231640              1.0000000        
D   1
  1      0.1619020              1.0000000        
D   1
  1      0.0617210              1.0000000        
F   1
  1     74.1325000              1.0000000        
F   1
  1     22.9342000              1.0000000        
F   1
  1     13.6253000              1.0000000        
F   1
  1      6.6924800              1.0000000        
F   1
  1      4.3901000              1.0000000        
F   1
  1      2.1695500              1.0000000        
F   1
  1      1.1436500              1.0000000        
F   1
  1      0.6267110              1.0000000        
F   1
  1      0.2964070              1.0000000        
F   1
  1      0.1453020              1.0000000        
G   1
  1     57.0703000              1.0000000        
G   1
  1     21.4792000              1.0000000        
G   1
  1     10.8470000              1.0000000        
G   1
  1      5.4039700              1.0000000        
G   1
  1      3.9526900              1.0000000        
G   1
  1      1.7669900              1.0000000        
G   1
  1      1.1017600              1.0000000        
G   1
  1      0.5223930              1.0000000        
G   1
  1      0.2422950              1.0000000        
H   1
  1     26.7010000              1.0000000        
H   1
  1     14.5002000              1.0000000        
H   1
  1      7.4667800              1.0000000        
H   1
  1      3.9377600              1.0000000        
H   1
  1      2.3280300              1.0000000        
H   1
  1      0.9419080              1.0000000        
I   1
  1     18.7476000              1.0000000        
I   1
  1     10.6236000              1.0000000        
I   1
  1      5.6905300              1.0000000        
I   1
  1      3.4880000              1.0000000        
I   1
  1      1.7430300              1.0000000        
K   1
  1     14.7371000              1.0000000        
K   1
  1      8.7099300              1.0000000        
K   1
  1      3.7086600              1.0000000        
K   1
  1      2.2288700              1.0000000        
L   1
  1     11.7993000              1.0000000        
L   1
  1      6.5989000              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Zn
data:
ZINC
S   1
  1    495.3420000              1.0000000        
S   1
  1    266.1960000              1.0000000        
S   1
  1    125.5760000              1.0000000        
S   1
  1     56.4411000              1.0000000        
S   1
  1     21.3276000              1.0000000        
S   1
  1      9.4360300              1.0000000        
S   1
  1      4.5403600              1.0000000        
S   1
  1      2.2146600              1.0000000        
S   1
  1      1.1239600              1.0000000        
S   1
  1      0.5526220              1.0000000        
S   1
  1      0.2746910              1.0000000        
S   1
  1      0.1426240              1.0000000        
S   1
  1      0.0792470              1.0000000        
P   1
  1    191.6730000              1.0000000        
P   1
  1     86.2505000              1.0000000        
P   1
  1     39.6372000              1.0000000        
P   1
  1     16.3146000              1.0000000        
P   1
  1     10.5730000              1.0000000        
P   1
  1      4.0878000              1.0000000        
P   1
  1      2.1136900              1.0000000        
P   1
  1      1.4062000              1.0000000        
P   1
  1      0.7610600              1.0000000        
P   1
  1      0.3319340              1.0000000        
P   1
  1      0.1653450              1.0000000        
P   1
  1      0.0835240              1.0000000        
D   1
  1     52.8541000              1.0000000        
D   1
  1     26.8722000              1.0000000        
D   1
  1     12.0337000              1.0000000        
D   1
  1      8.5666700              1.0000000        
D   1
  1      3.8380300              1.0000000        
D   1
  1      2.7923700              1.0000000        
D   1
  1      1.3244200              1.0000000        
D   1
  1      0.7058190              1.0000000        
D   1
  1      0.3925640              1.0000000        
D   1
  1      0.2010550              1.0000000        
D   1
  1      0.0651730              1.0000000        
F   1
  1     77.4909000              1.0000000        
F   1
  1     25.2613000              1.0000000        
F   1
  1     14.3196000              1.0000000        
F   1
  1      6.9338800              1.0000000        
F   1
  1      4.1395700              1.0000000        
F   1
  1      2.3100700              1.0000000        
F   1
  1      1.2554200              1.0000000        
F   1
  1      0.7282730              1.0000000        
F   1
  1      0.2980320              1.0000000        
F   1
  1      0.1548630              1.0000000        
G   1
  1     59.3076000              1.0000000        
G   1
  1     22.7846000              1.0000000        
G   1
  1     11.5287000              1.0000000        
G   1
  1      5.6287000              1.0000000        
G   1
  1      3.8478200              1.0000000        
G   1
  1      1.7835500              1.0000000        
G   1
  1      1.2002200              1.0000000        
G   1
  1      0.6002350              1.0000000        
G   1
  1      0.2518700              1.0000000        
H   1
  1     27.1088000              1.0000000        
H   1
  1     15.0903000              1.0000000        
H   1
  1      8.0012000              1.0000000        
H   1
  1      4.2747100              1.0000000        
H   1
  1      2.6022700              1.0000000        
H   1
  1      1.1176500              1.0000000        
I   1
  1     19.7157000              1.0000000        
I   1
  1     11.3479000              1.0000000        
I   1
  1      6.2861400              1.0000000        
I   1
  1      3.9062200              1.0000000        
I   1
  1      1.9630600              1.0000000        
K   1
  1     15.1143000              1.0000000        
K   1
  1      9.2949200              1.0000000        
K   1
  1      4.0489000              1.0000000        
K   1
  1      2.1191000              1.0000000        
L   1
  1     11.9970000              1.0000000        
L   1
  1      7.1986800              1.0000000        


name: cc-pV5Z-PP-new
description: N/A
elt: I
data:
IODINE
S   11
  1      4.297660E+04           1.300000E-05     
  2      6.439010E+03           9.700000E-05     
  3      1.455780E+03           4.660000E-04     
  4      4.053610E+02           1.441000E-03     
  5      1.169800E+02           2.674000E-03     
  6      2.963260E+01          -5.812100E-02     
  7      1.851000E+01           3.457590E-01     
  8      1.156200E+01          -3.622720E-01     
  9      6.595070E+00          -6.346740E-01     
 10      4.053400E+00           2.236670E-01     
 11      2.140900E+00           7.832730E-01     
S   11
  1      4.297660E+04          -6.000000E-06     
  2      6.439010E+03          -4.700000E-05     
  3      1.455780E+03          -2.230000E-04     
  4      4.053610E+02          -7.120000E-04     
  5      1.169800E+02          -1.234000E-03     
  6      2.963260E+01           2.412100E-02     
  7      1.851000E+01          -1.556420E-01     
  8      1.156200E+01           1.885390E-01     
  9      6.595070E+00           2.742270E-01     
 10      4.053400E+00          -1.247080E-01     
 11      2.140900E+00          -4.731900E-01     
S   1
  1      1.181640E+00           1.0000000        
S   1
  1      6.003720E-01           1.0000000        
S   1
  1      3.199650E-01           1.0000000        
S   1
  1      1.587690E-01           1.0000000        
S   1
  1      7.545100E-02           1.0000000        
P   8
  1      5.696430E+02           1.150000E-04     
  2      1.314960E+02           7.170000E-04     
  3      3.238430E+01          -2.027000E-03     
  4      2.022540E+01           5.343600E-02     
  5      1.123810E+01          -1.922640E-01     
  6      6.627940E+00          -9.521500E-02     
  7      3.647800E+00           3.658080E-01     
  8      1.988530E+00           5.364310E-01     
P   8
  1      5.696430E+02          -4.300000E-05     
  2      1.314960E+02          -2.600000E-04     
  3      3.238430E+01           3.440000E-04     
  4      2.022540E+01          -1.823100E-02     
  5      1.123810E+01           7.401400E-02     
  6      6.627940E+00           2.201600E-02     
  7      3.647800E+00          -1.478730E-01     
  8      1.988530E+00          -2.411660E-01     
P   1
  1      1.063670E+00           1.0000000        
P   1
  1      5.243030E-01           1.0000000        
P   1
  1      2.553820E-01           1.0000000        
P   1
  1      1.197550E-01           1.0000000        
P   1
  1      5.419900E-02           1.0000000        
D   9
  1      5.788080E+02           2.600000E-05     
  2      1.758530E+02           2.340000E-04     
  3      6.882920E+01           1.177000E-03     
  4      2.873540E+01           5.462000E-03     
  5      1.231660E+01          -2.753000E-02     
  6      7.611430E+00           2.097600E-02     
  7      4.704520E+00           1.768420E-01     
  8      2.794650E+00           3.194790E-01     
  9      1.616440E+00           3.387310E-01     
D   1
  1      9.142110E-01           1.0000000        
D   1
  1      5.047300E-01           1.0000000        
D   1
  1      2.762800E-01           1.0000000        
D   1
  1      1.392000E-01           1.0000000        
F   1
  1      6.739000E-01           1.0000000        
F   1
  1      3.631000E-01           1.0000000        
F   1
  1      1.956000E-01           1.0000000        
G   1
  1      6.721000E-01           1.0000000        
G   1
  1      3.226000E-01           1.0000000        
H   1
  1      5.908000E-01           1.0000000        


name: cc-pV5Z-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-PP AO basis set
elt: Y
data:
YTTRIUM
S   1
  1     16.8246470              1.0000000        
S   1
  1      8.7856731              1.0000000        
S   1
  1      4.7249525              1.0000000        
S   1
  1      2.7255664              1.0000000        
S   1
  1      1.8231290              1.0000000        
S   1
  1      1.0639575              1.0000000        
S   1
  1      0.5118757              1.0000000        
S   1
  1      0.3652750              1.0000000        
S   1
  1      0.1903348              1.0000000        
S   1
  1      0.0875117              1.0000000        
S   1
  1      0.0315628              1.0000000        
S   1
  1      0.0109290              1.0000000        
P   1
  1     14.9756877              1.0000000        
P   1
  1      7.9705861              1.0000000        
P   1
  1      4.9657345              1.0000000        
P   1
  1      3.9667431              1.0000000        
P   1
  1      1.9966164              1.0000000        
P   1
  1      1.0210275              1.0000000        
P   1
  1      0.7194088              1.0000000        
P   1
  1      0.4235329              1.0000000        
P   1
  1      0.2098860              1.0000000        
P   1
  1      0.1007703              1.0000000        
P   1
  1      0.0515760              1.0000000        
P   1
  1      0.0253330              1.0000000        
D   1
  1     14.9811942              1.0000000        
D   1
  1      8.9805925              1.0000000        
D   1
  1      6.9777687              1.0000000        
D   1
  1      3.9518622              1.0000000        
D   1
  1      1.9260146              1.0000000        
D   1
  1      1.1551412              1.0000000        
D   1
  1      0.7761544              1.0000000        
D   1
  1      0.4008655              1.0000000        
D   1
  1      0.2294726              1.0000000        
D   1
  1      0.1096148              1.0000000        
D   1
  1      0.0545136              1.0000000        
F   1
  1     14.9809958              1.0000000        
F   1
  1      8.9791387              1.0000000        
F   1
  1      5.8453814              1.0000000        
F   1
  1      3.8735889              1.0000000        
F   1
  1      1.9368777              1.0000000        
F   1
  1      1.1287867              1.0000000        
F   1
  1      0.6384183              1.0000000        
F   1
  1      0.4096543              1.0000000        
F   1
  1      0.2226974              1.0000000        
F   1
  1      0.1211245              1.0000000        
G   1
  1     14.9257719              1.0000000        
G   1
  1      7.4682796              1.0000000        
G   1
  1      4.2268033              1.0000000        
G   1
  1      2.3001489              1.0000000        
G   1
  1      1.2592749              1.0000000        
G   1
  1      0.8539231              1.0000000        
G   1
  1      0.2871435              1.0000000        
G   1
  1      0.4449688              1.0000000        
G   1
  1      0.1539083              1.0000000        
H   1
  1      6.5162733              1.0000000        
H   1
  1      2.3588547              1.0000000        
H   1
  1      1.3888341              1.0000000        
H   1
  1      0.7297314              1.0000000        
H   1
  1      0.3678854              1.0000000        
H   1
  1      0.1700393              1.0000000        
I   1
  1      5.7591723              1.0000000        
I   1
  1      2.4405641              1.0000000        
I   1
  1      1.1544699              1.0000000        
I   1
  1      0.5447664              1.0000000        
I   1
  1      0.2433879              1.0000000        
K   1
  1      1.3919117              1.0000000        
K   1
  1      0.7404980              1.0000000        
K   1
  1      0.3710899              1.0000000        
L   1
  1      8.0180671              1.0000000        
L   1
  1      0.6442392              1.0000000        


name: cc-pV5Z-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-PP AO basis set
elt: Zr
data:
ZIRCONIUM
S   1
  1     16.5202467              1.0000000        
S   1
  1      8.5077471              1.0000000        
S   1
  1      4.5961151              1.0000000        
S   1
  1      2.8022537              1.0000000        
S   1
  1      1.9975807              1.0000000        
S   1
  1      1.1777887              1.0000000        
S   1
  1      0.5624711              1.0000000        
S   1
  1      0.3868717              1.0000000        
S   1
  1      0.1789722              1.0000000        
S   1
  1      0.0717298              1.0000000        
S   1
  1      0.0285019              1.0000000        
S   1
  1      0.0104098              1.0000000        
P   1
  1     14.9953209              1.0000000        
P   1
  1      7.9935870              1.0000000        
P   1
  1      4.9918431              1.0000000        
P   1
  1      3.9958311              1.0000000        
P   1
  1      1.9968038              1.0000000        
P   1
  1      1.0777785              1.0000000        
P   1
  1      0.7476472              1.0000000        
P   1
  1      0.3896790              1.0000000        
P   1
  1      0.2000428              1.0000000        
P   1
  1      0.0999893              1.0000000        
P   1
  1      0.0505026              1.0000000        
P   1
  1      0.0250181              1.0000000        
D   1
  1     14.9902340              1.0000000        
D   1
  1      8.9889526              1.0000000        
D   1
  1      6.9902523              1.0000000        
D   1
  1      4.0033473              1.0000000        
D   1
  1      2.1361747              1.0000000        
D   1
  1      1.2925529              1.0000000        
D   1
  1      0.7192746              1.0000000        
D   1
  1      0.4846673              1.0000000        
D   1
  1      0.2179519              1.0000000        
D   1
  1      0.1007131              1.0000000        
D   1
  1      0.0497086              1.0000000        
F   1
  1     14.9935338              1.0000000        
F   1
  1      8.8513447              1.0000000        
F   1
  1      5.7509669              1.0000000        
F   1
  1      3.7429660              1.0000000        
F   1
  1      1.8149648              1.0000000        
F   1
  1      1.2611406              1.0000000        
F   1
  1      0.6599940              1.0000000        
F   1
  1      0.4093240              1.0000000        
F   1
  1      0.2221273              1.0000000        
F   1
  1      0.1113012              1.0000000        
G   1
  1     14.7050765              1.0000000        
G   1
  1      7.5004270              1.0000000        
G   1
  1      4.3098550              1.0000000        
G   1
  1      2.7613899              1.0000000        
G   1
  1      1.4915807              1.0000000        
G   1
  1      0.9020648              1.0000000        
G   1
  1      0.5356052              1.0000000        
G   1
  1      0.2656600              1.0000000        
G   1
  1      0.1339260              1.0000000        
H   1
  1      5.8558486              1.0000000        
H   1
  1      2.7142561              1.0000000        
H   1
  1      1.7092145              1.0000000        
H   1
  1      0.9292912              1.0000000        
H   1
  1      0.4979482              1.0000000        
H   1
  1      0.2363711              1.0000000        
I   1
  1      6.1709061              1.0000000        
I   1
  1      2.0483932              1.0000000        
I   1
  1      1.3219967              1.0000000        
I   1
  1      0.7099606              1.0000000        
I   1
  1      0.3180484              1.0000000        
K   1
  1      1.6393017              1.0000000        
K   1
  1      1.0363504              1.0000000        
K   1
  1      0.5007916              1.0000000        
L   1
  1      1.9606444              1.0000000        
L   1
  1      0.8693344              1.0000000        


name: cc-pV5Z-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-PP AO basis set
elt: Nb
data:
NIOBIUM
S   1
  1     15.9021692              1.0000000        
S   1
  1      7.8807731              1.0000000        
S   1
  1      4.1063121              1.0000000        
S   1
  1      2.5593881              1.0000000        
S   1
  1      1.9335173              1.0000000        
S   1
  1      1.1872332              1.0000000        
S   1
  1      0.5759201              1.0000000        
S   1
  1      0.3106810              1.0000000        
S   1
  1      0.1940202              1.0000000        
S   1
  1      0.0781989              1.0000000        
S   1
  1      0.0266893              1.0000000        
S   1
  1      0.0138511              1.0000000        
P   1
  1     14.9126752              1.0000000        
P   1
  1      7.8601164              1.0000000        
P   1
  1      4.8419349              1.0000000        
P   1
  1      3.8566369              1.0000000        
P   1
  1      1.9381863              1.0000000        
P   1
  1      1.1147954              1.0000000        
P   1
  1      0.6907572              1.0000000        
P   1
  1      0.3446816              1.0000000        
P   1
  1      0.1908822              1.0000000        
P   1
  1      0.1085169              1.0000000        
P   1
  1      0.0590184              1.0000000        
P   1
  1      0.0341956              1.0000000        
D   1
  1     14.8527436              1.0000000        
D   1
  1      8.7773211              1.0000000        
D   1
  1      6.7273635              1.0000000        
D   1
  1      3.7370615              1.0000000        
D   1
  1      2.0298952              1.0000000        
D   1
  1      1.4469350              1.0000000        
D   1
  1      0.6803389              1.0000000        
D   1
  1      0.4282998              1.0000000        
D   1
  1      0.2357785              1.0000000        
D   1
  1      0.1038391              1.0000000        
D   1
  1      0.0445449              1.0000000        
F   1
  1     14.9917175              1.0000000        
F   1
  1      7.9644796              1.0000000        
F   1
  1      4.9571629              1.0000000        
F   1
  1      2.7529997              1.0000000        
F   1
  1      1.6948338              1.0000000        
F   1
  1      0.9545132              1.0000000        
F   1
  1      0.5271678              1.0000000        
F   1
  1      0.2870632              1.0000000        
F   1
  1      0.1696153              1.0000000        
F   1
  1      0.0934847              1.0000000        
G   1
  1     14.1943315              1.0000000        
G   1
  1      6.7544014              1.0000000        
G   1
  1      3.9941110              1.0000000        
G   1
  1      1.9798952              1.0000000        
G   1
  1      1.1834690              1.0000000        
G   1
  1      0.6693574              1.0000000        
G   1
  1      0.3249440              1.0000000        
G   1
  1      0.2044465              1.0000000        
G   1
  1      0.1041787              1.0000000        
H   1
  1      4.4371967              1.0000000        
H   1
  1      2.6840058              1.0000000        
H   1
  1      1.7074981              1.0000000        
H   1
  1      1.0434753              1.0000000        
H   1
  1      0.5726411              1.0000000        
H   1
  1      0.2690866              1.0000000        
I   1
  1      6.3964781              1.0000000        
I   1
  1      2.3545091              1.0000000        
I   1
  1      1.4966066              1.0000000        
I   1
  1      0.8516918              1.0000000        
I   1
  1      0.3807440              1.0000000        
K   1
  1      1.9548640              1.0000000        
K   1
  1      1.1826479              1.0000000        
K   1
  1      0.6067039              1.0000000        
L   1
  1      2.2218125              1.0000000        
L   1
  1      1.1216793              1.0000000        


name: cc-pV5Z-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-PP AO basis set
elt: Mo
data:
MOLYBDENUM
S   1
  1     15.7785952              1.0000000        
S   1
  1      7.7141827              1.0000000        
S   1
  1      3.9660550              1.0000000        
S   1
  1      2.4588221              1.0000000        
S   1
  1      1.7362807              1.0000000        
S   1
  1      0.9146520              1.0000000        
S   1
  1      0.4310557              1.0000000        
S   1
  1      0.3003163              1.0000000        
S   1
  1      0.1620036              1.0000000        
S   1
  1      0.0814693              1.0000000        
S   1
  1      0.0338281              1.0000000        
S   1
  1      0.0111383              1.0000000        
P   1
  1     14.9536341              1.0000000        
P   1
  1      7.9293231              1.0000000        
P   1
  1      4.9119833              1.0000000        
P   1
  1      3.9185377              1.0000000        
P   1
  1      1.9482634              1.0000000        
P   1
  1      1.1500356              1.0000000        
P   1
  1      0.7486603              1.0000000        
P   1
  1      0.3867411              1.0000000        
P   1
  1      0.2160451              1.0000000        
P   1
  1      0.1120856              1.0000000        
P   1
  1      0.0546160              1.0000000        
P   1
  1      0.0262510              1.0000000        
D   1
  1     14.9871990              1.0000000        
D   1
  1      8.9723991              1.0000000        
D   1
  1      6.9581678              1.0000000        
D   1
  1      3.7098741              1.0000000        
D   1
  1      2.1153663              1.0000000        
D   1
  1      1.4284707              1.0000000        
D   1
  1      0.7915136              1.0000000        
D   1
  1      0.4130928              1.0000000        
D   1
  1      0.2580364              1.0000000        
D   1
  1      0.1399083              1.0000000        
D   1
  1      0.0724905              1.0000000        
F   1
  1     14.9868221              1.0000000        
F   1
  1      8.9837116              1.0000000        
F   1
  1      5.8814169              1.0000000        
F   1
  1      3.1354021              1.0000000        
F   1
  1      1.9839899              1.0000000        
F   1
  1      1.1629028              1.0000000        
F   1
  1      0.6433506              1.0000000        
F   1
  1      0.3713353              1.0000000        
F   1
  1      0.2050124              1.0000000        
F   1
  1      0.1067976              1.0000000        
G   1
  1     12.7415917              1.0000000        
G   1
  1      6.5284023              1.0000000        
G   1
  1      4.6171216              1.0000000        
G   1
  1      2.2552855              1.0000000        
G   1
  1      1.3370745              1.0000000        
G   1
  1      0.8101903              1.0000000        
G   1
  1      0.3802766              1.0000000        
G   1
  1      0.1959457              1.0000000        
G   1
  1      0.1161671              1.0000000        
H   1
  1      4.8924797              1.0000000        
H   1
  1      3.1860606              1.0000000        
H   1
  1      1.9650858              1.0000000        
H   1
  1      1.2705561              1.0000000        
H   1
  1      0.6827564              1.0000000        
H   1
  1      0.3276940              1.0000000        
I   1
  1      5.2699551              1.0000000        
I   1
  1      2.6201351              1.0000000        
I   1
  1      1.6120422              1.0000000        
I   1
  1      0.9837880              1.0000000        
I   1
  1      0.4523168              1.0000000        
K   1
  1      2.4252193              1.0000000        
K   1
  1      1.5615240              1.0000000        
K   1
  1      0.7517383              1.0000000        
L   1
  1      2.5381078              1.0000000        
L   1
  1      1.4266553              1.0000000        


name: cc-pV5Z-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-PP AO basis set
elt: Tc
data:
TECHNETIUM
S   1
  1     16.2033380              1.0000000        
S   1
  1      8.2470822              1.0000000        
S   1
  1      4.4809539              1.0000000        
S   1
  1      2.7944347              1.0000000        
S   1
  1      1.9914604              1.0000000        
S   1
  1      0.8350925              1.0000000        
S   1
  1      0.5357478              1.0000000        
S   1
  1      0.3153899              1.0000000        
S   1
  1      0.1256057              1.0000000        
S   1
  1      0.0552790              1.0000000        
S   1
  1      0.0260077              1.0000000        
S   1
  1      0.0101468              1.0000000        
P   1
  1     14.8710544              1.0000000        
P   1
  1      7.9590163              1.0000000        
P   1
  1      5.0264368              1.0000000        
P   1
  1      4.0448673              1.0000000        
P   1
  1      2.0409434              1.0000000        
P   1
  1      1.1867042              1.0000000        
P   1
  1      0.7982058              1.0000000        
P   1
  1      0.4208487              1.0000000        
P   1
  1      0.2070186              1.0000000        
P   1
  1      0.1013958              1.0000000        
P   1
  1      0.0502144              1.0000000        
P   1
  1      0.0250406              1.0000000        
D   1
  1     14.9857498              1.0000000        
D   1
  1      8.9891694              1.0000000        
D   1
  1      6.9970921              1.0000000        
D   1
  1      4.0139985              1.0000000        
D   1
  1      2.0101145              1.0000000        
D   1
  1      1.2832240              1.0000000        
D   1
  1      0.7380044              1.0000000        
D   1
  1      0.3987698              1.0000000        
D   1
  1      0.2058401              1.0000000        
D   1
  1      0.1065786              1.0000000        
D   1
  1      0.0522471              1.0000000        
F   1
  1     14.9551553              1.0000000        
F   1
  1      8.9346216              1.0000000        
F   1
  1      5.5254462              1.0000000        
F   1
  1      3.4029822              1.0000000        
F   1
  1      1.8587998              1.0000000        
F   1
  1      1.3181601              1.0000000        
F   1
  1      0.6878000              1.0000000        
F   1
  1      0.4059408              1.0000000        
F   1
  1      0.2290141              1.0000000        
F   1
  1      0.1187593              1.0000000        
G   1
  1     14.9723876              1.0000000        
G   1
  1      7.0309419              1.0000000        
G   1
  1      4.3051436              1.0000000        
G   1
  1      3.0417138              1.0000000        
G   1
  1      1.4463032              1.0000000        
G   1
  1      1.0245676              1.0000000        
G   1
  1      0.4526876              1.0000000        
G   1
  1      0.2404863              1.0000000        
G   1
  1      0.1368490              1.0000000        
H   1
  1      8.4674157              1.0000000        
H   1
  1      4.9085113              1.0000000        
H   1
  1      2.7951687              1.0000000        
H   1
  1      1.6436262              1.0000000        
H   1
  1      0.8640657              1.0000000        
H   1
  1      0.3976567              1.0000000        
I   1
  1      6.5357265              1.0000000        
I   1
  1      3.0991545              1.0000000        
I   1
  1      1.8764687              1.0000000        
I   1
  1      1.1892352              1.0000000        
I   1
  1      0.5491191              1.0000000        
K   1
  1      2.8374850              1.0000000        
K   1
  1      1.8672915              1.0000000        
K   1
  1      0.9091521              1.0000000        
L   1
  1      4.2666366              1.0000000        
L   1
  1      1.8371400              1.0000000        


name: cc-pV5Z-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-PP AO basis set
elt: Rh
data:
RHODIUM
S   1
  1     10.5695861              1.0000000        
S   1
  1      6.6782183              1.0000000        
S   1
  1      4.9028905              1.0000000        
S   1
  1      3.6336193              1.0000000        
S   1
  1      2.4968316              1.0000000        
S   1
  1      1.0911856              1.0000000        
S   1
  1      0.6934055              1.0000000        
S   1
  1      0.4013445              1.0000000        
S   1
  1      0.1598959              1.0000000        
S   1
  1      0.0621697              1.0000000        
S   1
  1      0.0274234              1.0000000        
S   1
  1      0.0103727              1.0000000        
P   1
  1     13.0217217              1.0000000        
P   1
  1      7.2838163              1.0000000        
P   1
  1      4.7862433              1.0000000        
P   1
  1      4.0205708              1.0000000        
P   1
  1      2.1971086              1.0000000        
P   1
  1      1.1112332              1.0000000        
P   1
  1      0.7971322              1.0000000        
P   1
  1      0.4366453              1.0000000        
P   1
  1      0.2117953              1.0000000        
P   1
  1      0.1024551              1.0000000        
P   1
  1      0.0504159              1.0000000        
P   1
  1      0.0250737              1.0000000        
D   1
  1     14.3039796              1.0000000        
D   1
  1      8.1878032              1.0000000        
D   1
  1      6.2659238              1.0000000        
D   1
  1      3.8349850              1.0000000        
D   1
  1      2.2235066              1.0000000        
D   1
  1      1.5382919              1.0000000        
D   1
  1      0.7806484              1.0000000        
D   1
  1      0.4816050              1.0000000        
D   1
  1      0.2145121              1.0000000        
D   1
  1      0.1024887              1.0000000        
D   1
  1      0.0504483              1.0000000        
F   1
  1     14.8612821              1.0000000        
F   1
  1      8.6486602              1.0000000        
F   1
  1      5.1205451              1.0000000        
F   1
  1      3.4692408              1.0000000        
F   1
  1      1.8604681              1.0000000        
F   1
  1      1.2677885              1.0000000        
F   1
  1      0.6913651              1.0000000        
F   1
  1      0.4175156              1.0000000        
F   1
  1      0.2177307              1.0000000        
F   1
  1      0.1080420              1.0000000        
G   1
  1     13.2895638              1.0000000        
G   1
  1      6.6110735              1.0000000        
G   1
  1      4.9270388              1.0000000        
G   1
  1      2.9720014              1.0000000        
G   1
  1      1.6834059              1.0000000        
G   1
  1      1.0052099              1.0000000        
G   1
  1      0.5636288              1.0000000        
G   1
  1      0.2764936              1.0000000        
G   1
  1      0.1177322              1.0000000        
H   1
  1      6.8145979              1.0000000        
H   1
  1      4.8154136              1.0000000        
H   1
  1      2.9267117              1.0000000        
H   1
  1      1.8744964              1.0000000        
H   1
  1      1.0955061              1.0000000        
H   1
  1      0.5206356              1.0000000        
I   1
  1      4.8227964              1.0000000        
I   1
  1      3.4349677              1.0000000        
I   1
  1      1.8651814              1.0000000        
I   1
  1      1.0782536              1.0000000        
I   1
  1      0.6655534              1.0000000        
K   1
  1      3.7557302              1.0000000        
K   1
  1      2.5646738              1.0000000        
K   1
  1      1.2616384              1.0000000        
L   1
  1      4.3382690              1.0000000        
L   1
  1      2.4216942              1.0000000        


name: cc-pV5Z-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-PP AO basis set
elt: Pd
data:
PALLADIUM
S   1
  1      9.8850208              1.0000000        
S   1
  1      6.6092895              1.0000000        
S   1
  1      5.2875256              1.0000000        
S   1
  1      3.8491864              1.0000000        
S   1
  1      2.2733725              1.0000000        
S   1
  1      0.9956818              1.0000000        
S   1
  1      0.7270049              1.0000000        
S   1
  1      0.4073313              1.0000000        
S   1
  1      0.1670160              1.0000000        
S   1
  1      0.0637433              1.0000000        
S   1
  1      0.0276434              1.0000000        
S   1
  1      0.0104125              1.0000000        
P   1
  1     12.3031511              1.0000000        
P   1
  1      7.4742559              1.0000000        
P   1
  1      4.7263117              1.0000000        
P   1
  1      4.0970204              1.0000000        
P   1
  1      2.3279014              1.0000000        
P   1
  1      1.1121851              1.0000000        
P   1
  1      0.7926736              1.0000000        
P   1
  1      0.4414394              1.0000000        
P   1
  1      0.2129847              1.0000000        
P   1
  1      0.1026750              1.0000000        
P   1
  1      0.0504951              1.0000000        
P   1
  1      0.0251029              1.0000000        
D   1
  1     14.3450623              1.0000000        
D   1
  1      8.1612933              1.0000000        
D   1
  1      6.1887286              1.0000000        
D   1
  1      3.6885940              1.0000000        
D   1
  1      2.1770503              1.0000000        
D   1
  1      1.5305385              1.0000000        
D   1
  1      0.7284757              1.0000000        
D   1
  1      0.4527352              1.0000000        
D   1
  1      0.2119930              1.0000000        
D   1
  1      0.1015889              1.0000000        
D   1
  1      0.0503261              1.0000000        
F   1
  1     13.6500182              1.0000000        
F   1
  1      8.5508289              1.0000000        
F   1
  1      5.7189775              1.0000000        
F   1
  1      3.5061561              1.0000000        
F   1
  1      1.9792029              1.0000000        
F   1
  1      1.3113204              1.0000000        
F   1
  1      0.7007768              1.0000000        
F   1
  1      0.4176579              1.0000000        
F   1
  1      0.2092022              1.0000000        
F   1
  1      0.1043280              1.0000000        
G   1
  1     13.8250856              1.0000000        
G   1
  1      7.0015541              1.0000000        
G   1
  1      4.7476420              1.0000000        
G   1
  1      3.1045781              1.0000000        
G   1
  1      1.6995878              1.0000000        
G   1
  1      0.9853777              1.0000000        
G   1
  1      0.5844430              1.0000000        
G   1
  1      0.2882085              1.0000000        
G   1
  1      0.1224493              1.0000000        
H   1
  1      7.6424679              1.0000000        
H   1
  1      4.7259597              1.0000000        
H   1
  1      2.9298957              1.0000000        
H   1
  1      1.7871675              1.0000000        
H   1
  1      1.1288351              1.0000000        
H   1
  1      0.5671812              1.0000000        
I   1
  1      5.0517988              1.0000000        
I   1
  1      3.6719648              1.0000000        
I   1
  1      2.0047654              1.0000000        
I   1
  1      1.0618891              1.0000000        
I   1
  1      0.6536366              1.0000000        
K   1
  1      4.2342479              1.0000000        
K   1
  1      2.8683621              1.0000000        
K   1
  1      1.4184156              1.0000000        
L   1
  1      4.6770252              1.0000000        
L   1
  1      2.7255316              1.0000000        


name: cc-pV5Z-PP
description: cc-pV5Z-PP for Hf - Pt
elt: Hf
data:
HAFNIUM
S   15
  1    127.7480000             -0.0002650        
  2     79.4716000              0.0018600        
  3     45.4455000             -0.0136810        
  4     28.3815000              0.0789220        
  5     17.7268000             -0.3294260        
  6     11.0709000              0.7341460        
  7      6.8945900             -0.4835410        
  8      3.5486400             -0.5526670        
  9      1.9669700             -0.0048260        
 10      1.1896700              0.4295130        
 11      0.7225180              0.5705330        
 12      0.4164450              0.3115260        
 13      0.2308050              0.0487760        
 14      0.1037990              0.0014650        
 15      0.0497170             -0.0014370        
S   15
  1    127.7480000              0.0000500        
  2     79.4716000             -0.0004020        
  3     45.4455000              0.0034560        
  4     28.3815000             -0.0219560        
  5     17.7268000              0.0967560        
  6     11.0709000             -0.2227620        
  7      6.8945900              0.1511500        
  8      3.5486400              0.1802400        
  9      1.9669700              0.0081550        
 10      1.1896700             -0.1681520        
 11      0.7225180             -0.2613930        
 12      0.4164450             -0.2841200        
 13      0.2308050             -0.0039800        
 14      0.1037990              0.4690960        
 15      0.0497170              0.5811820        
S   15
  1    127.7480000             -0.0002150        
  2     79.4716000              0.0013270        
  3     45.4455000             -0.0082810        
  4     28.3815000              0.0437050        
  5     17.7268000             -0.1784800        
  6     11.0709000              0.4054010        
  7      6.8945900             -0.2886660        
  8      3.5486400             -0.2809590        
  9      1.9669700             -0.1238970        
 10      1.1896700              0.5064930        
 11      0.7225180              0.4808970        
 12      0.4164450              0.9248080        
 13      0.2308050             -1.6613720        
 14      0.1037990             -1.1516350        
 15      0.0497170              1.2281220        
S   15
  1    127.7480000             -0.0002050        
  2     79.4716000              0.0006500        
  3     45.4455000              0.0023510        
  4     28.3815000             -0.0394250        
  5     17.7268000              0.2197680        
  6     11.0709000             -0.5440250        
  7      6.8945900              0.3558480        
  8      3.5486400              0.6157690        
  9      1.9669700             -0.0435280        
 10      1.1896700             -0.6285800        
 11      0.7225180             -2.6644980        
 12      0.4164450              2.6677750        
 13      0.2308050              2.2901390        
 14      0.1037990             -3.5999040        
 15      0.0497170              0.6097060        
S   15
  1    127.7480000             -0.0004360        
  2     79.4716000              0.0017770        
  3     45.4455000             -0.0015150        
  4     28.3815000             -0.0327300        
  5     17.7268000              0.2228950        
  6     11.0709000             -0.5723910        
  7      6.8945900              0.3439330        
  8      3.5486400              0.7814050        
  9      1.9669700              0.4626060        
 10      1.1896700             -2.7820660        
 11      0.7225180             -3.1216790        
 12      0.4164450             11.6688260        
 13      0.2308050             -9.7036820        
 14      0.1037990              1.9065390        
 15      0.0497170              2.4988180        
S   15
  1    127.7480000             -0.0065390        
  2     79.4716000              0.0330230        
  3     45.4455000             -0.1319560        
  4     28.3815000              0.3965380        
  5     17.7268000             -1.0136420        
  6     11.0709000              1.9458380        
  7      6.8945900             -1.7872130        
  8      3.5486400              0.2408740        
  9      1.9669700             -4.1101300        
 10      1.1896700             17.4671040        
 11      0.7225180            -23.3039300        
 12      0.4164450             11.9257810        
 13      0.2308050              1.7063660        
 14      0.1037990             -7.7578540        
 15      0.0497170              7.2322400        
S   1
  1      0.0237700              1.0000000        
P   12
  1     41.4467000             -0.0006080        
  2     25.8855000              0.0072100        
  3     16.1691000             -0.0505390        
  4     10.1016000              0.1824760        
  5      6.3107100             -0.2021880        
  6      3.8365300             -0.1667920        
  7      1.3993200              0.3020540        
  8      0.7676080              0.4675860        
  9      0.4115580              0.3223530        
 10      0.2111180              0.0902090        
 11      0.0981670              0.0082420        
 12      0.0453820              0.0010090        
P   12
  1     41.4467000              0.0001310        
  2     25.8855000             -0.0017860        
  3     16.1691000              0.0134610        
  4     10.1016000             -0.0503600        
  5      6.3107100              0.0574720        
  6      3.8365300              0.0470140        
  7      1.3993200             -0.0929890        
  8      0.7676080             -0.1678660        
  9      0.4115580             -0.1546010        
 10      0.2111180              0.0749170        
 11      0.0981670              0.4278670        
 12      0.0453820              0.4997790        
P   12
  1     41.4467000              0.0001550        
  2     25.8855000             -0.0024110        
  3     16.1691000              0.0190800        
  4     10.1016000             -0.0723590        
  5      6.3107100              0.0825170        
  6      3.8365300              0.0694090        
  7      1.3993200             -0.1384910        
  8      0.7676080             -0.2388510        
  9      0.4115580             -0.2696350        
 10      0.2111180              0.2559880        
 11      0.0981670              0.7089890        
 12      0.0453820              0.2477470        
P   12
  1     41.4467000              0.0003500        
  2     25.8855000             -0.0047590        
  3     16.1691000              0.0361480        
  4     10.1016000             -0.1366730        
  5      6.3107100              0.1591460        
  6      3.8365300              0.1281270        
  7      1.3993200             -0.2677180        
  8      0.7676080             -0.7965620        
  9      0.4115580              0.1238840        
 10      0.2111180              1.6212470        
 11      0.0981670             -0.5567550        
 12      0.0453820             -0.6691030        
P   12
  1     41.4467000              0.0007800        
  2     25.8855000             -0.0084450        
  3     16.1691000              0.0588600        
  4     10.1016000             -0.2212050        
  5      6.3107100              0.2683550        
  6      3.8365300              0.2077140        
  7      1.3993200             -0.7711390        
  8      0.7676080             -1.4253890        
  9      0.4115580              3.4737140        
 10      0.2111180             -1.5709620        
 11      0.0981670             -1.1457100        
 12      0.0453820              1.2510060        
P   12
  1     41.4467000              0.0161090        
  2     25.8855000             -0.0774960        
  3     16.1691000              0.1644930        
  4     10.1016000             -0.1561020        
  5      6.3107100              0.2459260        
  6      3.8365300             -0.9029180        
  7      1.3993200              3.4050860        
  8      0.7676080             -3.5255490        
  9      0.4115580             -0.6189970        
 10      0.2111180              3.9159700        
 11      0.0981670             -3.9242830        
 12      0.0453820              1.8289550        
P   1
  1      0.0206860              1.0000000        
D   10
  1     35.5394000              0.0000430        
  2     15.2305000             -0.0006500        
  3      7.7746700              0.0123910        
  4      4.3736500             -0.0563170        
  5      1.4161700              0.0928900        
  6      0.8379100              0.1799400        
  7      0.4656750              0.2783780        
  8      0.2397700              0.3177230        
  9      0.1177200              0.2618220        
 10      0.0557830              0.1262830        
D   10
  1     35.5394000             -0.0000150        
  2     15.2305000              0.0005190        
  3      7.7746700             -0.0136520        
  4      4.3736500              0.0657540        
  5      1.4161700             -0.1206020        
  6      0.8379100             -0.2424530        
  7      0.4656750             -0.3683650        
  8      0.2397700             -0.1005520        
  9      0.1177200              0.4226440        
 10      0.0557830              0.4761400        
D   10
  1     35.5394000             -0.0000920        
  2     15.2305000             -0.0000270        
  3      7.7746700              0.0172170        
  4      4.3736500             -0.0933910        
  5      1.4161700              0.2127460        
  6      0.8379100              0.4655750        
  7      0.4656750              0.2673850        
  8      0.2397700             -0.8332010        
  9      0.1177200             -0.4285520        
 10      0.0557830              0.6530410        
D   10
  1     35.5394000              0.0004280        
  2     15.2305000             -0.0016930        
  3      7.7746700             -0.0180860        
  4      4.3736500              0.1212750        
  5      1.4161700             -0.3064630        
  6      0.8379100             -1.0395480        
  7      0.4656750              1.1482350        
  8      0.2397700              0.8681360        
  9      0.1177200             -1.6557700        
 10      0.0557830              0.4445940        
D   10
  1     35.5394000              0.0002690        
  2     15.2305000             -0.0026550        
  3      7.7746700              0.0489690        
  4      4.3736500             -0.2528270        
  5      1.4161700              1.3918810        
  6      0.8379100             -0.1414450        
  7      0.4656750             -2.6895820        
  8      0.2397700              3.1243230        
  9      0.1177200             -1.3526590        
 10      0.0557830             -0.4206500        
D   1
  1      0.0251140              1.0000000        
F   1
  1      1.0807000              1.0000000        
F   1
  1      0.4600000              1.0000000        
F   1
  1      0.1958000              1.0000000        
F   1
  1      0.0834000              1.0000000        
G   1
  1      1.0998000              1.0000000        
G   1
  1      0.4175000              1.0000000        
G   1
  1      0.1585000              1.0000000        
H   1
  1      0.7694000              1.0000000        
H   1
  1      0.2781000              1.0000000        
I   1
  1      0.5042000              1.0000000        


name: cc-pV5Z-PP
description: cc-pV5Z-PP for Hf - Pt
elt: Ta
data:
TANTALUM
S   15
  1    127.8860000             -0.0002790        
  2     79.6219000              0.0020770        
  3     47.3560000             -0.0127990        
  4     28.9849000              0.0750180        
  5     18.1009000             -0.3238420        
  6     11.3049000              0.7427980        
  7      7.0610300             -0.4963610        
  8      3.7219500             -0.5605560        
  9      1.9676200             -0.0147580        
 10      1.2207300              0.5206740        
 11      0.7094640              0.5800160        
 12      0.4076670              0.2439380        
 13      0.2308530              0.0336160        
 14      0.1124470              0.0003250        
 15      0.0540990             -0.0021700        
S   15
  1    127.8860000              0.0000430        
  2     79.6219000             -0.0004060        
  3     47.3560000              0.0030990        
  4     28.9849000             -0.0209290        
  5     18.1009000              0.0970320        
  6     11.3049000             -0.2315270        
  7      7.0610300              0.1598630        
  8      3.7219500              0.1896500        
  9      1.9676200              0.0113860        
 10      1.2207300             -0.2125120        
 11      0.7094640             -0.3065440        
 12      0.4076670             -0.2409180        
 13      0.2308530              0.0388600        
 14      0.1124470              0.4628580        
 15      0.0540990              0.5752370        
S   15
  1    127.8860000              0.0001110        
  2     79.6219000             -0.0008820        
  3     47.3560000              0.0059160        
  4     28.9849000             -0.0375850        
  5     18.1009000              0.1716390        
  6     11.3049000             -0.4111500        
  7      7.0610300              0.2909600        
  8      3.7219500              0.3268680        
  9      1.9676200              0.0945570        
 10      1.2207300             -0.5424690        
 11      0.7094640             -0.7913220        
 12      0.4076670             -0.4190270        
 13      0.2308530              1.6532500        
 14      0.1124470              0.8989830        
 15      0.0540990             -1.1280310        
S   14
  1     79.6219000             -0.0004300        
  2     47.3560000              0.0057360        
  3     28.9849000             -0.0481540        
  4     18.1009000              0.2439050        
  5     11.3049000             -0.6085090        
  6      7.0610300              0.4282320        
  7      3.7219500              0.5955070        
  8      1.9676200              0.1293500        
  9      1.2207300             -1.4441160        
 10      0.7094640             -1.9042060        
 11      0.4076670              3.2780850        
 12      0.2308530              1.4056750        
 13      0.1124470             -3.3379110        
 14      0.0540990              0.4211850        
S   15
  1    127.8860000              0.0002870        
  2     79.6219000             -0.0019250        
  3     47.3560000              0.0108510        
  4     28.9849000             -0.0629920        
  5     18.1009000              0.2830470        
  6     11.3049000             -0.6835000        
  7      7.0610300              0.4757520        
  8      3.7219500              0.6263640        
  9      1.9676200              1.1666760        
 10      1.2207300             -5.1480010        
 11      0.7094640              1.1355430        
 12      0.4076670              8.3573620        
 13      0.2308530             -9.1380100        
 14      0.1124470              2.0396930        
 15      0.0540990              2.6709700        
S   15
  1    127.8860000             -0.0027560        
  2     79.6219000              0.0149860        
  3     47.3560000             -0.0565160        
  4     28.9849000              0.1974660        
  5     18.1009000             -0.6383540        
  6     11.3049000              1.3988440        
  7      7.0610300             -1.1057190        
  8      3.7219500             -1.1405960        
  9      1.9676200             -1.0047480        
 10      1.2207300             13.1447220        
 11      0.7094640            -22.4925640        
 12      0.4076670             15.8588450        
 13      0.2308530             -1.4127320        
 14      0.1124470             -6.8494450        
 15      0.0540990              6.6999900        
S   1
  1      0.0255890              1.0000000        
P   12
  1     43.0864000             -0.0004490        
  2     26.2162000              0.0063050        
  3     16.3747000             -0.0481970        
  4     10.2287000              0.1858860        
  5      6.3885600             -0.2230500        
  6      3.8820000             -0.1621140        
  7      1.5402200              0.2784190        
  8      0.8635440              0.4672790        
  9      0.4684760              0.3385310        
 10      0.2433510              0.1034880        
 11      0.1126670              0.0106060        
 12      0.0514670              0.0008630        
P   12
  1     43.0864000              0.0000830        
  2     26.2162000             -0.0015370        
  3     16.3747000              0.0131640        
  4     10.2287000             -0.0532870        
  5      6.3885600              0.0661500        
  6      3.8820000              0.0478650        
  7      1.5402200             -0.0900430        
  8      0.8635440             -0.1758890        
  9      0.4684760             -0.1625120        
 10      0.2433510              0.0661390        
 11      0.1126670              0.4193780        
 12      0.0514670              0.5076320        
P   12
  1     43.0864000              0.0000770        
  2     26.2162000             -0.0020600        
  3     16.3747000              0.0191860        
  4     10.2287000             -0.0793420        
  5      6.3885600              0.0985250        
  6      3.8820000              0.0742280        
  7      1.5402200             -0.1412360        
  8      0.8635440             -0.2634310        
  9      0.4684760             -0.2924470        
 10      0.2433510              0.2763780        
 11      0.1126670              0.7169410        
 12      0.0514670              0.2347510        
P   12
  1     43.0864000              0.0000670        
  2     26.2162000             -0.0032700        
  3     16.3747000              0.0334630        
  4     10.2287000             -0.1429680        
  5      6.3885600              0.1813390        
  6      3.8820000              0.1407050        
  7      1.5402200             -0.2905920        
  8      0.8635440             -0.8314340        
  9      0.4684760              0.1378480        
 10      0.2433510              1.6015330        
 11      0.1126670             -0.5297110        
 12      0.0514670             -0.6839160        
P   12
  1     43.0864000              0.0003680        
  2     26.2162000             -0.0066880        
  3     16.3747000              0.0591060        
  4     10.2287000             -0.2496690        
  5      6.3885600              0.3312620        
  6      3.8820000              0.2476020        
  7      1.5402200             -0.9737180        
  8      0.8635440             -1.4213200        
  9      0.4684760              3.7940630        
 10      0.2433510             -1.9375430        
 11      0.1126670             -0.8955520        
 12      0.0514670              1.1723800        
P   12
  1     43.0864000             -0.0160570        
  2     26.2162000              0.0835870        
  3     16.3747000             -0.1864780        
  4     10.2287000              0.1749990        
  5      6.3885600             -0.2492200        
  6      3.8820000              1.0920380        
  7      1.5402200             -4.3225400        
  8      0.8635440              5.0941140        
  9      0.4684760             -0.7633390        
 10      0.2433510             -3.1723950        
 11      0.1126670              3.7036060        
 12      0.0514670             -1.9021510        
P   1
  1      0.0230550              1.0000000        
D   10
  1     35.5553000              0.0000650        
  2     15.2541000             -0.0010070        
  3      8.0507000              0.0153940        
  4      4.4858200             -0.0687140        
  5      1.4699000              0.1230910        
  6      0.8349400              0.2263780        
  7      0.4639940              0.2926730        
  8      0.2489180              0.2921500        
  9      0.1289160              0.2162180        
 10      0.0644250              0.0968860        
D   10
  1     35.5553000             -0.0000160        
  2     15.2541000              0.0007520        
  3      8.0507000             -0.0166650        
  4      4.4858200              0.0802890        
  5      1.4699000             -0.1644500        
  6      0.8349400             -0.3216390        
  7      0.4639940             -0.3388870        
  8      0.2489180              0.0565710        
  9      0.1289160              0.4638630        
 10      0.0644250              0.4026440        
D   10
  1     35.5553000              0.0001760        
  2     15.2541000             -0.0002270        
  3      8.0507000             -0.0202980        
  4      4.4858200              0.1162780        
  5      1.4699000             -0.3271600        
  6      0.8349400             -0.5766580        
  7      0.4639940              0.0876950        
  8      0.2489180              0.9151310        
  9      0.1289160              0.1294610        
 10      0.0644250             -0.6372310        
D   10
  1     35.5553000              0.0002380        
  2     15.2541000             -0.0002990        
  3      8.0507000             -0.0280330        
  4      4.4858200              0.1647140        
  5      1.4699000             -0.6247180        
  6      0.8349400             -0.7857680        
  7      0.4639940              1.7880720        
  8      0.2489180             -0.0459510        
  9      0.1289160             -1.4392400        
 10      0.0644250              0.5965670        
D   10
  1     35.5553000             -0.0007060        
  2     15.2541000              0.0029160        
  3      8.0507000              0.0395360        
  4      4.4858200             -0.2900840        
  5      1.4699000              2.0927720        
  6      0.8349400             -1.9799750        
  7      0.4639940             -1.1050630        
  8      0.2489180              3.0756320        
  9      0.1289160             -2.0821770        
 10      0.0644250              0.0657740        
D   1
  1      0.0302690              1.0000000        
F   1
  1      1.2045000              1.0000000        
F   1
  1      0.5361000              1.0000000        
F   1
  1      0.2386000              1.0000000        
F   1
  1      0.1062000              1.0000000        
G   1
  1      1.3234000              1.0000000        
G   1
  1      0.5163000              1.0000000        
G   1
  1      0.2015000              1.0000000        
H   1
  1      0.9779000              1.0000000        
H   1
  1      0.3503000              1.0000000        
I   1
  1      0.6496000              1.0000000        


name: cc-pV5Z-PP
description: cc-pV5Z-PP for Hf - Pt
elt: W
data:
TUNGSTEN
S   15
  1    128.0210000             -0.0002130        
  2     79.7690000              0.0018130        
  3     48.5622000             -0.0116240        
  4     30.1989000              0.0676740        
  5     18.8517000             -0.2999560        
  6     11.7614000              0.7046350        
  7      7.3298200             -0.4663690        
  8      3.8767000             -0.5914920        
  9      1.9492700              0.0262780        
 10      1.2144400              0.5868220        
 11      0.7063900              0.5430650        
 12      0.4094330              0.2037330        
 13      0.2304240              0.0245590        
 14      0.1120740             -0.0009150        
 15      0.0545930             -0.0027140        
S   15
  1    128.0210000              0.0000210        
  2     79.7690000             -0.0003040        
  3     48.5622000              0.0027070        
  4     30.1989000             -0.0189610        
  5     18.8517000              0.0915990        
  6     11.7614000             -0.2249730        
  7      7.3298200              0.1546610        
  8      3.8767000              0.2055560        
  9      1.9492700             -0.0039980        
 10      1.2144400             -0.2574660        
 11      0.7063900             -0.3084040        
 12      0.4094330             -0.2150450        
 13      0.2304240              0.0978160        
 14      0.1120740              0.4934530        
 15      0.0545930              0.5309830        
S   15
  1    128.0210000              0.0000550        
  2     79.7690000             -0.0006130        
  3     48.5622000              0.0049100        
  4     30.1989000             -0.0332520        
  5     18.8517000              0.1602240        
  6     11.7614000             -0.3963830        
  7      7.3298200              0.2773410        
  8      3.8767000              0.3628200        
  9      1.9492700              0.0727200        
 10      1.2144400             -0.6834100        
 11      0.7063900             -0.8141440        
 12      0.4094330             -0.1123420        
 13      0.2304240              1.7087150        
 14      0.1120740              0.5925350        
 15      0.0545930             -1.0797410        
S   15
  1    128.0210000             -0.0000800        
  2     79.7690000             -0.0000040        
  3     48.5622000              0.0042400        
  4     30.1989000             -0.0425880        
  5     18.8517000              0.2317290        
  6     11.7614000             -0.6006620        
  7      7.3298200              0.4229970        
  8      3.8767000              0.6727400        
  9      1.9492700              0.0054660        
 10      1.2144400             -1.8784650        
 11      0.7063900             -1.2199100        
 12      0.4094330              3.6264850        
 13      0.2304240              0.4866040        
 14      0.1120740             -3.0611230        
 15      0.0545930              0.5984560        
S   15
  1    128.0210000             -0.0002200        
  2     79.7690000              0.0007930        
  3     48.5622000              0.0015110        
  4     30.1989000             -0.0366030        
  5     18.8517000              0.2256000        
  6     11.7614000             -0.5949330        
  7      7.3298200              0.3658040        
  8      3.8767000              0.8681320        
  9      1.9492700              0.7539980        
 10      1.2144400             -5.9039300        
 11      0.7063900              3.9582880        
 12      0.4094330              5.5054530        
 13      0.2304240             -8.3495450        
 14      0.1120740              2.6769820        
 15      0.0545930              2.1562470        
S   15
  1    128.0210000              0.0007620        
  2     79.7690000             -0.0035880        
  3     48.5622000              0.0057020        
  4     30.1989000              0.0367400        
  5     18.8517000             -0.3171300        
  6     11.7614000              0.9032690        
  7      7.3298200             -0.5068010        
  8      3.8767000             -2.1985630        
  9      1.9492700              2.3663650        
 10      1.2144400              8.8286120        
 11      0.7063900            -21.9615460        
 12      0.4094330             19.5076120        
 13      0.2304240             -5.6066650        
 14      0.1120740             -4.4225920        
 15      0.0545930              5.8539150        
S   1
  1      0.0262100              1.0000000        
P   12
  1     44.8241000             -0.0005630        
  2     27.9957000              0.0069070        
  3     17.4892000             -0.0501680        
  4     10.9261000              0.1877100        
  5      6.8251900             -0.2162930        
  6      4.1815300             -0.1695920        
  7      1.5635300              0.3171370        
  8      0.8689660              0.4788210        
  9      0.4668820              0.3119830        
 10      0.2376200              0.0805190        
 11      0.1124500              0.0067540        
 12      0.0520670              0.0009720        
P   12
  1     44.8241000              0.0001090        
  2     27.9957000             -0.0016630        
  3     17.4892000              0.0133690        
  4     10.9261000             -0.0523560        
  5      6.8251900              0.0624070        
  6      4.1815300              0.0487380        
  7      1.5635300             -0.1011590        
  8      0.8689660             -0.1802800        
  9      0.4668820             -0.1366360        
 10      0.2376200              0.0929390        
 11      0.1124500              0.4060920        
 12      0.0520670              0.4865210        
P   12
  1     44.8241000              0.0001430        
  2     27.9957000             -0.0025570        
  3     17.4892000              0.0216370        
  4     10.9261000             -0.0859840        
  5      6.8251900              0.1027430        
  6      4.1815300              0.0819860        
  7      1.5635300             -0.1723800        
  8      0.8689660             -0.3159660        
  9      0.4668820             -0.2428930        
 10      0.2376200              0.4141700        
 11      0.1124500              0.6618400        
 12      0.0520670              0.1647600        
P   12
  1     44.8241000              0.0002040        
  2     27.9957000             -0.0041800        
  3     17.4892000              0.0372120        
  4     10.9261000             -0.1517130        
  5      6.8251900              0.1848990        
  6      4.1815300              0.1538090        
  7      1.5635300             -0.3828860        
  8      0.8689660             -0.9138870        
  9      0.4668820              0.6158340        
 10      0.2376200              1.3591900        
 11      0.1124500             -0.7719430        
 12      0.0520670             -0.5298450        
P   12
  1     44.8241000             -0.0018840        
  2     27.9957000              0.0047740        
  3     17.4892000              0.0293600        
  4     10.9261000             -0.1962880        
  5      6.8251900              0.2458850        
  6      4.1815300              0.3544620        
  7      1.5635300             -1.4928090        
  8      0.8689660             -0.4962540        
  9      0.4668820              3.4838900        
 10      0.2376200             -2.5860700        
 11      0.1124500             -0.1732890        
 12      0.0520670              0.9394390        
P   12
  1     44.8241000             -0.0085310        
  2     27.9957000              0.0375330        
  3     17.4892000             -0.0444050        
  4     10.9261000             -0.1250940        
  5      6.8251900              0.1837830        
  6      4.1815300              0.7029870        
  7      1.5635300             -4.5650170        
  8      0.8689660              6.7760870        
  9      0.4668820             -3.4821490        
 10      0.2376200             -1.0709860        
 11      0.1124500              2.8960140        
 12      0.0520670             -1.7956980        
P   1
  1      0.0236130              1.0000000        
D   10
  1     35.6782000              0.0000810        
  2     15.4233000             -0.0023430        
  3      9.2438500              0.0200330        
  4      5.0371500             -0.0776750        
  5      1.5468100              0.1491040        
  6      0.8422000              0.2700130        
  7      0.4583880              0.3094120        
  8      0.2475420              0.2705130        
  9      0.1305440              0.1768770        
 10      0.0662290              0.0662320        
D   10
  1     35.6782000             -0.0000100        
  2     15.4233000              0.0020700        
  3      9.2438500             -0.0223950        
  4      5.0371500              0.0942650        
  5      1.5468100             -0.2158830        
  6      0.8422000             -0.4052730        
  7      0.4583880             -0.2654230        
  8      0.2475420              0.2303150        
  9      0.1305440              0.4908810        
 10      0.0662290              0.2989000        
D   10
  1     35.6782000             -0.0000750        
  2     15.4233000             -0.0022060        
  3      9.2438500              0.0308890        
  4      5.0371500             -0.1414110        
  5      1.5468100              0.4576300        
  6      0.8422000              0.6275750        
  7      0.4583880             -0.5604170        
  8      0.2475420             -0.8192870        
  9      0.1305440              0.2636160        
 10      0.0662290              0.5844690        
D   10
  1     35.6782000             -0.0000950        
  2     15.4233000             -0.0028040        
  3      9.2438500              0.0418880        
  4      5.0371500             -0.2028010        
  5      1.5468100              0.9977590        
  6      0.8422000              0.1418660        
  7      0.4583880             -2.0303660        
  8      0.2475420              1.2349000        
  9      0.1305440              0.7676510        
 10      0.0662290             -0.7799460        
D   10
  1     35.6782000              0.0039060        
  2     15.4233000             -0.0236200        
  3      9.2438500              0.0010010        
  4      5.0371500              0.2566630        
  5      1.5468100             -2.4481050        
  6      0.8422000              3.6625230        
  7      0.4583880             -1.4539920        
  8      0.2475420             -1.5880280        
  9      0.1305440              2.2358110        
 10      0.0662290             -0.7062180        
D   1
  1      0.0313960              1.0000000        
F   1
  1      1.3495000              1.0000000        
F   1
  1      0.6187000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.1300000              1.0000000        
G   1
  1      1.5406000              1.0000000        
G   1
  1      0.6162000              1.0000000        
G   1
  1      0.2465000              1.0000000        
H   1
  1      1.1714000              1.0000000        
H   1
  1      0.4222000              1.0000000        
I   1
  1      0.8048000              1.0000000        


name: cc-pV5Z-PP
description: cc-pV5Z-PP for Hf - Pt
elt: Re
data:
RHENIUM
S   15
  1    202.7120000             -0.0000180        
  2     83.1287000              0.0008080        
  3     51.6714000             -0.0070970        
  4     32.2470000              0.0479820        
  5     20.1306000             -0.2305260        
  6     12.5747000              0.5362550        
  7      7.3845200             -0.3065170        
  8      4.1728600             -0.6272000        
  9      2.6071100             -0.0086210        
 10      1.2876400              0.6405810        
 11      0.7176620              0.5579870        
 12      0.4005670              0.1652750        
 13      0.2323290              0.0172950        
 14      0.1127560              0.0025800        
 15      0.0551780              0.0002910        
S   14
  1     83.1287000             -0.0001630        
  2     51.6714000              0.0018440        
  3     32.2470000             -0.0144650        
  4     20.1306000              0.0746010        
  5     12.5747000             -0.1808000        
  6      7.3845200              0.1099330        
  7      4.1728600              0.2250530        
  8      2.6071100              0.0049640        
  9      1.2876400             -0.2913340        
 10      0.7176620             -0.3384660        
 11      0.4005670             -0.1805940        
 12      0.2323290              0.1402910        
 13      0.1127560              0.5017990        
 14      0.0551780              0.5030990        
S   15
  1    202.7120000              0.0000180        
  2     83.1287000             -0.0005500        
  3     51.6714000              0.0042800        
  4     32.2470000             -0.0276130        
  5     20.1306000              0.1340070        
  6     12.5747000             -0.3229860        
  7      7.3845200              0.2097760        
  8      4.1728600              0.3620910        
  9      2.6071100              0.0961150        
 10      1.2876400             -0.7498160        
 11      0.7176620             -0.8648990        
 12      0.4005670              0.1811020        
 13      0.2323290              1.6121400        
 14      0.1127560              0.4387040        
 15      0.0551780             -1.0489500        
S   15
  1    202.7120000             -0.0000310        
  2     83.1287000              0.0008940        
  3     51.6714000             -0.0067490        
  4     32.2470000              0.0434530        
  5     20.1306000             -0.2145210        
  6     12.5747000              0.5288540        
  7      7.3845200             -0.3532480        
  8      4.1728600             -0.6775470        
  9      2.6071100             -0.1518750        
 10      1.2876400              2.4519750        
 11      0.7176620              0.4384750        
 12      0.4005670             -4.0072560        
 13      0.2323290              0.6936150        
 14      0.1127560              2.7050750        
 15      0.0551780             -0.8795670        
S   15
  1    202.7120000              0.0002350        
  2     83.1287000             -0.0032670        
  3     51.6714000              0.0109550        
  4     32.2470000             -0.0003660        
  5     20.1306000             -0.1431730        
  6     12.5747000              0.4397380        
  7      7.3845200             -0.1194760        
  8      4.1728600             -1.3118760        
  9      2.6071100             -0.1557260        
 10      1.2876400              6.5286810        
 11      0.7176620             -7.6129680        
 12      0.4005670             -1.2325140        
 13      0.2323290              7.2714920        
 14      0.1127560             -4.1794340        
 15      0.0551780             -0.5759050        
S   15
  1    202.7120000              0.0034650        
  2     83.1287000             -0.0537890        
  3     51.6714000              0.2267930        
  4     32.2470000             -0.5545730        
  5     20.1306000              0.8903070        
  6     12.5747000             -1.0481350        
  7      7.3845200              2.4122880        
  8      4.1728600             -7.5736620        
  9      2.6071100              8.1469280        
 10      1.2876400              2.9438290        
 11      0.7176620            -17.3320220        
 12      0.4005670             23.0838870        
 13      0.2323290            -13.5879670        
 14      0.1127560              1.0859110        
 15      0.0551780              3.3164740        
S   1
  1      0.0266950              1.0000000        
P   12
  1     47.9533000             -0.0002760        
  2     29.9457000              0.0040490        
  3     18.7024000             -0.0333890        
  4     11.6818000              0.1349390        
  5      7.2963600             -0.1401110        
  6      4.5317300             -0.2024650        
  7      1.6000200              0.3485480        
  8      0.8859210              0.4802570        
  9      0.4730370              0.2920020        
 10      0.2358480              0.0674260        
 11      0.1111810              0.0045690        
 12      0.0515630              0.0010030        
P   12
  1     47.9533000              0.0000660        
  2     29.9457000             -0.0011030        
  3     18.7024000              0.0097100        
  4     11.6818000             -0.0407390        
  5      7.2963600              0.0446200        
  6      4.5317300              0.0607640        
  7      1.6000200             -0.1211460        
  8      0.8859210             -0.1957700        
  9      0.4730370             -0.1230670        
 10      0.2358480              0.1476650        
 11      0.1111810              0.4461360        
 12      0.0515630              0.4517640        
P   12
  1     47.9533000              0.0000970        
  2     29.9457000             -0.0017690        
  3     18.7024000              0.0159300        
  4     11.6818000             -0.0672890        
  5      7.2963600              0.0740170        
  6      4.5317300              0.1009150        
  7      1.6000200             -0.2052230        
  8      0.8859210             -0.3536700        
  9      0.4730370             -0.1740060        
 10      0.2358480              0.5158270        
 11      0.1111810              0.5958240        
 12      0.0515630              0.1163270        
P   12
  1     47.9533000             -0.0000210        
  2     29.9457000              0.0022630        
  3     18.7024000             -0.0256330        
  4     11.6818000              0.1152090        
  5      7.2963600             -0.1268210        
  6      4.5317300             -0.1981360        
  7      1.6000200              0.5068520        
  8      0.8859210              0.9103290        
  9      0.4730370             -1.0009770        
 10      0.2358480             -1.0597320        
 11      0.1111810              0.9144500        
 12      0.0515630              0.3787070        
P   12
  1     47.9533000              0.0044250        
  2     29.9457000             -0.0194640        
  3     18.7024000              0.0222630        
  4     11.6818000              0.0693960        
  5      7.2963600             -0.0499830        
  6      4.5317300             -0.5122240        
  7      1.6000200              2.0349300        
  8      0.8859210             -0.5892110        
  9      0.4730370             -2.7862130        
 10      0.2358480              2.8600090        
 11      0.1111810             -0.4498560        
 12      0.0515630             -0.6745750        
P   12
  1     47.9533000              0.0095020        
  2     29.9457000             -0.0541850        
  3     18.7024000              0.1976230        
  4     11.6818000             -0.5605200        
  5      7.2963600              0.7615590        
  6      4.5317300              0.2039630        
  7      1.6000200             -4.6023340        
  8      0.8859210              8.0439570        
  9      0.4730370             -5.8869540        
 10      0.2358480              1.2584620        
 11      0.1111810              1.5587300        
 12      0.0515630             -1.4244990        
P   1
  1      0.0235420              1.0000000        
D   10
  1     35.7309000              0.0000990        
  2     16.0515000             -0.0015020        
  3      9.9659100              0.0122100        
  4      5.0281700             -0.0671390        
  5      1.7427600              0.1216760        
  6      1.0452000              0.2158010        
  7      0.6077840              0.2894700        
  8      0.3294000              0.2946000        
  9      0.1679870              0.2175370        
 10      0.0816530              0.1022850        
D   10
  1     35.7309000             -0.0000910        
  2     16.0515000              0.0014570        
  3      9.9659100             -0.0130710        
  4      5.0281700              0.0758260        
  5      1.7427600             -0.1508580        
  6      1.0452000             -0.3139560        
  7      0.6077840             -0.3290430        
  8      0.3294000              0.0602180        
  9      0.1679870              0.4784460        
 10      0.0816530              0.4104690        
D   10
  1     35.7309000              0.0001730        
  2     16.0515000             -0.0003060        
  3      9.9659100             -0.0147100        
  4      5.0281700              0.1185220        
  5      1.7427600             -0.3719350        
  6      1.0452000             -0.5457170        
  7      0.6077840              0.0674260        
  8      0.3294000              0.8900820        
  9      0.1679870              0.1737840        
 10      0.0816530             -0.6452820        
D   10
  1     35.7309000              0.0006500        
  2     16.0515000             -0.0067020        
  3      9.9659100              0.0371030        
  4      5.0281700             -0.1942700        
  5      1.7427600              0.7473670        
  6      1.0452000              0.8063190        
  7      0.6077840             -1.9285380        
  8      0.3294000              0.1008470        
  9      0.1679870              1.3672990        
 10      0.0816530             -0.5654600        
D   10
  1     35.7309000             -0.0019430        
  2     16.0515000              0.0120540        
  3      9.9659100              0.0105860        
  4      5.0281700             -0.2881360        
  5      1.7427600              2.5644120        
  6      1.0452000             -2.7590000        
  7      0.6077840             -0.6513700        
  8      0.3294000              2.7968950        
  9      0.1679870             -1.8294110        
 10      0.0816530             -0.0374110        
D   1
  1      0.0372670              1.0000000        
F   1
  1      1.4757000              1.0000000        
F   1
  1      0.6895000              1.0000000        
F   1
  1      0.3222000              1.0000000        
F   1
  1      0.1505000              1.0000000        
G   1
  1      1.7301000              1.0000000        
G   1
  1      0.7095000              1.0000000        
G   1
  1      0.2909000              1.0000000        
H   1
  1      1.3434000              1.0000000        
H   1
  1      0.5023000              1.0000000        
I   1
  1      1.0694000              1.0000000        


name: cc-pV5Z-PP
description: cc-pV5Z-PP for Hf - Pt
elt: Os
data:
OSMIUM
S   15
  1    227.2160000             -0.0000080        
  2     88.9180000              0.0006500        
  3     55.3980000             -0.0057630        
  4     34.5047000              0.0395840        
  5     21.5498000             -0.1899940        
  6     13.3429000              0.4393550        
  7      7.2939800             -0.2162190        
  8      4.4707900             -0.6369810        
  9      2.5034400             -0.0856790        
 10      1.5041300              0.5520460        
 11      0.8808490              0.5880240        
 12      0.5112780              0.2614560        
 13      0.2785370              0.0386370        
 14      0.1317160              0.0025830        
 15      0.0626290              0.0009850        
S   15
  1    227.2160000             -0.0000010        
  2     88.9180000             -0.0001530        
  3     55.3980000              0.0016120        
  4     34.5047000             -0.0123980        
  5     21.5498000              0.0631760        
  6     13.3429000             -0.1520640        
  7      7.2939800              0.0829460        
  8      4.4707900              0.2314950        
  9      2.5034400              0.0334930        
 10      1.5041300             -0.2523020        
 11      0.8808490             -0.3237270        
 12      0.5112780             -0.2363270        
 13      0.2785370              0.0729300        
 14      0.1317160              0.4772580        
 15      0.0626290              0.5415620        
S   15
  1    227.2160000              0.0000110        
  2     88.9180000             -0.0004860        
  3     55.3980000              0.0038370        
  4     34.5047000             -0.0252950        
  5     21.5498000              0.1232880        
  6     13.3429000             -0.2967180        
  7      7.2939800              0.1764350        
  8      4.4707900              0.4257760        
  9      2.5034400              0.1812150        
 10      1.5041300             -0.7732490        
 11      0.8808490             -0.9496670        
 12      0.5112780             -0.0491560        
 13      0.2785370              1.7480150        
 14      0.1317160              0.4745020        
 15      0.0626290             -1.0206450        
S   15
  1    227.2160000              0.0000570        
  2     88.9180000             -0.0005270        
  3     55.3980000             -0.0002760        
  4     34.5047000              0.0237580        
  5     21.5498000             -0.1612420        
  6     13.3429000              0.4238590        
  7      7.2939800             -0.2128580        
  8      4.4707900             -0.8411380        
  9      2.5034400             -0.3547180        
 10      1.5041300              2.5012250        
 11      0.8808490              1.5206040        
 12      0.5112780             -4.7077430        
 13      0.2785370              0.5173180        
 14      0.1317160              2.8011500        
 15      0.0626290             -1.0530940        
S   15
  1    227.2160000              0.0003020        
  2     88.9180000             -0.0046580        
  3     55.3980000              0.0171120        
  4     34.5047000             -0.0161720        
  5     21.5498000             -0.1164320        
  6     13.3429000              0.4081330        
  7      7.2939800              0.1057120        
  8      4.4707900             -2.0385030        
  9      2.5034400             -0.1832490        
 10      1.5041300              8.8048900        
 11      0.8808490            -10.0151690        
 12      0.5112780             -0.2302100        
 13      0.2785370              7.0274320        
 14      0.1317160             -4.7555670        
 15      0.0626290              0.3846600        
S   15
  1    227.2160000              0.0022710        
  2     88.9180000             -0.0383040        
  3     55.3980000              0.1614460        
  4     34.5047000             -0.3854960        
  5     21.5498000              0.5500720        
  6     13.3429000             -0.5047640        
  7      7.2939800              2.4002110        
  8      4.4707900             -8.2280540        
  9      2.5034400             11.7973900        
 10      1.5041300             -0.0520600        
 11      0.8808490            -19.9171480        
 12      0.5112780             25.5954690        
 13      0.2785370            -15.0580250        
 14      0.1317160              3.5673590        
 15      0.0626290              1.5404740        
S   1
  1      0.0295780              1.0000000        
P   12
  1     50.5874000             -0.0001780        
  2     31.5906000              0.0031850        
  3     19.7305000             -0.0284180        
  4     12.3248000              0.1191540        
  5      7.6982400             -0.1170170        
  6      4.7632200             -0.2175890        
  7      1.6802200              0.3609010        
  8      0.9331860              0.4826620        
  9      0.4989040              0.2839670        
 10      0.2484490              0.0632460        
 11      0.1156230              0.0042670        
 12      0.0529260              0.0008460        
P   12
  1     50.5874000              0.0000520        
  2     31.5906000             -0.0009170        
  3     19.7305000              0.0083100        
  4     12.3248000             -0.0357720        
  5      7.6982400              0.0376310        
  6      4.7632200              0.0635160        
  7      1.6802200             -0.1247100        
  8      0.9331860             -0.1901510        
  9      0.4989040             -0.1125450        
 10      0.2484490              0.1468150        
 11      0.1156230              0.4354470        
 12      0.0529260              0.4550710        
P   12
  1     50.5874000              0.0000480        
  2     31.5906000             -0.0014300        
  3     19.7305000              0.0145560        
  4     12.3248000             -0.0644830        
  5      7.6982400              0.0678250        
  6      4.7632200              0.1188800        
  7      1.6802200             -0.2396480        
  8      0.9331860             -0.3999740        
  9      0.4989040             -0.1150490        
 10      0.2484490              0.5925270        
 11      0.1156230              0.5415260        
 12      0.0529260              0.0798220        
P   12
  1     50.5874000              0.0004710        
  2     31.5906000             -0.0005060        
  3     19.7305000             -0.0165620        
  4     12.3248000              0.0954490        
  5      7.6982400             -0.0949800        
  6      4.7632200             -0.2453950        
  7      1.6802200              0.6373810        
  8      0.9331860              0.8797360        
  9      0.4989040             -1.2780900        
 10      0.2484490             -0.7832380        
 11      0.1156230              0.9608010        
 12      0.0529260              0.2828430        
P   12
  1     50.5874000              0.0058520        
  2     31.5906000             -0.0273330        
  3     19.7305000              0.0473740        
  4     12.3248000              0.0133890        
  5      7.6982400              0.0414600        
  6      4.7632200             -0.6358230        
  7      1.6802200              2.5600610        
  8      0.9331860             -1.6019820        
  9      0.4989040             -2.0350280        
 10      0.2484490              2.8242020        
 11      0.1156230             -0.7670580        
 12      0.0529260             -0.5063300        
P   12
  1     50.5874000              0.0287000        
  2     31.5906000             -0.1526390        
  3     19.7305000              0.4666400        
  4     12.3248000             -1.0736960        
  5      7.6982400              1.4665880        
  6      4.7632200             -0.3475880        
  7      1.6802200             -4.4515830        
  8      0.9331860              8.6243800        
  9      0.4989040             -7.2754890        
 10      0.2484490              2.7515100        
 11      0.1156230              0.5647000        
 12      0.0529260             -1.0633800        
P   1
  1      0.0238640              1.0000000        
D   10
  1     34.7251000              0.0001770        
  2     18.4921000             -0.0014600        
  3     11.5470000              0.0090810        
  4      5.3023800             -0.0626140        
  5      1.8076600              0.1422720        
  6      1.0508200              0.2494720        
  7      0.5992150              0.2973920        
  8      0.3269350              0.2744110        
  9      0.1699930              0.1905300        
 10      0.0845740              0.0850110        
D   10
  1     34.7251000             -0.0002550        
  2     18.4921000              0.0018950        
  3     11.5470000             -0.0109550        
  4      5.3023800              0.0761900        
  5      1.8076600             -0.1919640        
  6      1.0508200             -0.4022390        
  7      0.5992150             -0.2705850        
  8      0.3269350              0.2026700        
  9      0.1699930              0.4974950        
 10      0.0845740              0.3210020        
D   10
  1     34.7251000             -0.0003770        
  2     18.4921000              0.0026750        
  3     11.5470000             -0.0165250        
  4      5.3023800              0.1264650        
  5      1.8076600             -0.4975880        
  6      1.0508200             -0.6159520        
  7      0.5992150              0.5117290        
  8      0.3269350              0.8300070        
  9      0.1699930             -0.1728380        
 10      0.0845740             -0.5995710        
D   10
  1     34.7251000              0.0030890        
  2     18.4921000             -0.0175070        
  3     11.5470000              0.0492840        
  4      5.3023800             -0.2305210        
  5      1.8076600              1.2697920        
  6      1.0508200             -0.0744860        
  7      0.5992150             -2.0270440        
  8      0.3269350              1.1913850        
  9      0.1699930              0.7435960        
 10      0.0845740             -0.6930140        
D   10
  1     34.7251000              0.0092970        
  2     18.4921000             -0.0443470        
  3     11.5470000              0.0482340        
  4      5.3023800              0.2227540        
  5      1.8076600             -3.0458800        
  6      1.0508200              4.8903840        
  7      0.5992150             -2.3993660        
  8      0.3269350             -1.0524210        
  9      0.1699930              1.8297370        
 10      0.0845740             -0.4714890        
D   1
  1      0.0394930              1.0000000        
F   1
  1      1.6402000              1.0000000        
F   1
  1      0.7838000              1.0000000        
F   1
  1      0.3746000              1.0000000        
F   1
  1      0.1790000              1.0000000        
G   1
  1      1.9370000              1.0000000        
G   1
  1      0.8085000              1.0000000        
G   1
  1      0.3375000              1.0000000        
H   1
  1      1.5067000              1.0000000        
H   1
  1      0.5777000              1.0000000        
I   1
  1      1.2206000              1.0000000        


name: cc-pV5Z-PP
description: cc-pV5Z-PP for Hf - Pt
elt: Ir
data:
IRIDIUM
S   15
  1    361.1680000              0.0000040        
  2     95.8674000              0.0004220        
  3     59.8527000             -0.0040300        
  4     36.8252000              0.0307260        
  5     23.0133000             -0.1493440        
  6     13.6810000              0.3885650        
  7      7.2456100             -0.2202300        
  8      4.5281600             -0.6578940        
  9      2.4987800             -0.0279080        
 10      1.5530900              0.5449680        
 11      0.9423020              0.5678570        
 12      0.5460880              0.2781940        
 13      0.2707930              0.0345870        
 14      0.1347530              0.0006840        
 15      0.0645530              0.0017070        
S   15
  1    361.1680000             -0.0000030        
  2     95.8674000             -0.0001010        
  3     59.8527000              0.0011370        
  4     36.8252000             -0.0097400        
  5     23.0133000              0.0502470        
  6     13.6810000             -0.1366010        
  7      7.2456100              0.0874040        
  8      4.5281600              0.2420290        
  9      2.4987800              0.0058910        
 10      1.5530900             -0.2514300        
 11      0.9423020             -0.3171260        
 12      0.5460880             -0.2305500        
 13      0.2707930              0.0921320        
 14      0.1347530              0.4742620        
 15      0.0645530              0.5251200        
S   15
  1    361.1680000             -0.0000120        
  2     95.8674000              0.0000220        
  3     59.8527000              0.0011840        
  4     36.8252000             -0.0162530        
  5     23.0133000              0.0943350        
  6     13.6810000             -0.2669410        
  7      7.2456100              0.1671060        
  8      4.5281600              0.5184990        
  9      2.4987800              0.0818770        
 10      1.5530900             -0.7655880        
 11      0.9423020             -1.1753020        
 12      0.5460880              0.4390200        
 13      0.2707930              1.6679210        
 14      0.1347530              0.1623000        
 15      0.0645530             -0.9114440        
S   15
  1    361.1680000             -0.0000430        
  2     95.8674000              0.0009120        
  3     59.8527000             -0.0024220        
  4     36.8252000             -0.0123750        
  5     23.0133000              0.1191320        
  6     13.6810000             -0.3734900        
  7      7.2456100              0.1842790        
  8      4.5281600              0.9847650        
  9      2.4987800              0.3903310        
 10      1.5530900             -3.3148990        
 11      0.9423020             -0.6367640        
 12      0.5460880              4.7062010        
 13      0.2707930             -1.2718210        
 14      0.1347530             -2.2196150        
 15      0.0645530              1.0516060        
S   15
  1    361.1680000              0.0001580        
  2     95.8674000             -0.0045610        
  3     59.8527000              0.0190690        
  4     36.8252000             -0.0278300        
  5     23.0133000             -0.0770850        
  6     13.6810000              0.3776980        
  7      7.2456100              0.2467920        
  8      4.5281600             -2.9518890        
  9      2.4987800              1.7915660        
 10      1.5530900              8.4440360        
 11      0.9423020            -12.7502280        
 12      0.5460880              3.6778990        
 13      0.2707930              4.6672140        
 14      0.1347530             -4.5177760        
 15      0.0645530              0.5860350        
S   15
  1    361.1680000              0.0008230        
  2     95.8674000             -0.0264250        
  3     59.8527000              0.1204600        
  4     36.8252000             -0.3013830        
  5     23.0133000              0.4065180        
  6     13.6810000             -0.3126660        
  7      7.2456100              2.5994090        
  8      4.5281600            -10.1706390        
  9      2.4987800             19.6716040        
 10      1.5530900            -12.5903850        
 11      0.9423020             -9.0398800        
 12      0.5460880             18.1973900        
 13      0.2707930            -13.0305380        
 14      0.1347530              5.0367020        
 15      0.0645530              0.6544030        
S   1
  1      0.0305960              1.0000000        
P   12
  1     53.1489000             -0.0001030        
  2     33.1807000              0.0025820        
  3     20.7203000             -0.0250280        
  4     12.9411000              0.1092320        
  5      8.0825100             -0.1054160        
  6      4.9702700             -0.2259200        
  7      1.7771000              0.3652150        
  8      0.9950100              0.4810560        
  9      0.5365460              0.2820320        
 10      0.2710670              0.0645840        
 11      0.1272520              0.0048890        
 12      0.0586070              0.0007820        
P   12
  1     53.1489000              0.0000390        
  2     33.1807000             -0.0008160        
  3     20.7203000              0.0077660        
  4     12.9411000             -0.0345780        
  5      8.0825100              0.0360390        
  6      4.9702700              0.0691030        
  7      1.7771000             -0.1335600        
  8      0.9950100             -0.1988110        
  9      0.5365460             -0.1141680        
 10      0.2710670              0.1535450        
 11      0.1272520              0.4405510        
 12      0.0586070              0.4502280        
P   12
  1     53.1489000             -0.0000300        
  2     33.1807000             -0.0010390        
  3     20.7203000              0.0137040        
  4     12.9411000             -0.0653110        
  5      8.0825100              0.0677430        
  6      4.9702700              0.1416070        
  7      1.7771000             -0.2919340        
  8      0.9950100             -0.4527000        
  9      0.5365460             -0.0364810        
 10      0.2710670              0.6228330        
 11      0.1272520              0.4918100        
 12      0.0586070              0.0711760        
P   12
  1     53.1489000             -0.0011260        
  2     33.1807000              0.0040110        
  3     20.7203000              0.0061050        
  4     12.9411000             -0.0757750        
  5      8.0825100              0.0665900        
  6      4.9702700              0.2985190        
  7      1.7771000             -0.8076210        
  8      0.9950100             -0.7711620        
  9      0.5365460              1.4513640        
 10      0.2710670              0.5601930        
 11      0.1272520             -0.9311020        
 12      0.0586070             -0.2665940        
P   12
  1     53.1489000              0.0046160        
  2     33.1807000             -0.0212600        
  3     20.7203000              0.0324680        
  4     12.9411000              0.0409210        
  5      8.0825100              0.0091310        
  6      4.9702700             -0.6754230        
  7      1.7771000              3.0768790        
  8      0.9950100             -2.6418560        
  9      0.5365460             -1.2075110        
 10      0.2710670              2.5945410        
 11      0.1272520             -0.8176030        
 12      0.0586070             -0.4631340        
P   12
  1     53.1489000              0.0465730        
  2     33.1807000             -0.2446060        
  3     20.7203000              0.7206110        
  4     12.9411000             -1.5722170        
  5      8.0825100              2.1856100        
  6      4.9702700             -0.9564670        
  7      1.7771000             -4.1001950        
  8      0.9950100              8.7850890        
  9      0.5365460             -8.0886650        
 10      0.2710670              3.5879200        
 11      0.1272520              0.1045200        
 12      0.0586070             -0.8912610        
P   1
  1      0.0264540              1.0000000        
D   10
  1     43.8130000              0.0001190        
  2     19.8991000             -0.0011270        
  3     12.4262000              0.0081710        
  4      5.6402700             -0.0616520        
  5      1.8794500              0.1618800        
  6      1.0692500              0.2756330        
  7      0.5995540              0.3042190        
  8      0.3259080              0.2590940        
  9      0.1707020              0.1672860        
 10      0.0861840              0.0688650        
D   10
  1     43.8130000             -0.0001920        
  2     19.8991000              0.0016040        
  3     12.4262000             -0.0098070        
  4      5.6402700              0.0722610        
  5      1.8794500             -0.2126390        
  6      1.0692500             -0.4143280        
  7      0.5995540             -0.2072930        
  8      0.3259080              0.2166400        
  9      0.1707020              0.4503280        
 10      0.0861840              0.3260470        
D   10
  1     43.8130000              0.0006010        
  2     19.8991000             -0.0044620        
  3     12.4262000              0.0187110        
  4      5.6402700             -0.1203430        
  5      1.8794500              0.5070940        
  6      1.0692500              0.5686510        
  7      0.5995540             -0.5572300        
  8      0.3259080             -0.7057520        
  9      0.1707020              0.0897640        
 10      0.0861840              0.5713880        
D   10
  1     43.8130000              0.0019920        
  2     19.8991000             -0.0144700        
  3     12.4262000              0.0443120        
  4      5.6402700             -0.2210940        
  5      1.8794500              1.3855020        
  6      1.0692500             -0.4492360        
  7      0.5995540             -1.6111680        
  8      0.3259080              1.0072380        
  9      0.1707020              0.7000400        
 10      0.0861840             -0.5103520        
D   10
  1     43.8130000              0.0066070        
  2     19.8991000             -0.0416800        
  3     12.4262000              0.0540540        
  4      5.6402700              0.1831770        
  5      1.8794500             -2.8487810        
  6      1.0692500              4.7681860        
  7      0.5995540             -2.6811700        
  8      0.3259080             -0.6021470        
  9      0.1707020              1.4415890        
 10      0.0861840             -0.1580950        
D   1
  1      0.0410370              1.0000000        
F   1
  1      1.8012000              1.0000000        
F   1
  1      0.8781000              1.0000000        
F   1
  1      0.4281000              1.0000000        
F   1
  1      0.2087000              1.0000000        
G   1
  1      2.1503000              1.0000000        
G   1
  1      0.9139000              1.0000000        
G   1
  1      0.3884000              1.0000000        
H   1
  1      1.6762000              1.0000000        
H   1
  1      0.6562000              1.0000000        
I   1
  1      1.3796000              1.0000000        


name: cc-pV5Z-PP
description: cc-pV5Z-PP for Hf - Pt
elt: Pt
data:
PLATINUM
S   15
  1    413.6000000              0.0000060        
  2    103.5350000              0.0004160        
  3     64.1243000             -0.0038720        
  4     39.8615000              0.0264020        
  5     24.7987000             -0.1193560        
  6     13.9302000              0.3575240        
  7      7.8013800             -0.1644950        
  8      4.8699100             -0.6967770        
  9      2.7428100             -0.0777230        
 10      1.7119200              0.5375150        
 11      1.0158000              0.6169060        
 12      0.5725730              0.2761470        
 13      0.2878640              0.0315070        
 14      0.1415920              0.0018730        
 15      0.0675100              0.0015970        
S   15
  1    413.6000000             -0.0000030        
  2    103.5350000             -0.0001160        
  3     64.1243000              0.0011680        
  4     39.8615000             -0.0085740        
  5     24.7987000              0.0407120        
  6     13.9302000             -0.1279210        
  7      7.8013800              0.0692260        
  8      4.8699100              0.2586680        
  9      2.7428100              0.0219490        
 10      1.7119200             -0.2466890        
 11      1.0158000             -0.3419970        
 12      0.5725730             -0.2239690        
 13      0.2878640              0.0985710        
 14      0.1415920              0.4687040        
 15      0.0675100              0.5216110        
S   15
  1    413.6000000             -0.0000090        
  2    103.5350000             -0.0001020        
  3     64.1243000              0.0016960        
  4     39.8615000             -0.0155390        
  5     24.7987000              0.0798540        
  6     13.9302000             -0.2597120        
  7      7.8013800              0.1412320        
  8      4.8699100              0.5472760        
  9      2.7428100              0.1708990        
 10      1.7119200             -0.8336090        
 11      1.0158000             -1.2372210        
 12      0.5725730              0.5347410        
 13      0.2878640              1.6196050        
 14      0.1415920              0.0999360        
 15      0.0675100             -0.8380750        
S   15
  1    413.6000000             -0.0000230        
  2    103.5350000              0.0001920        
  3     64.1243000              0.0006930        
  4     39.8615000             -0.0173180        
  5     24.7987000              0.1061720        
  6     13.9302000             -0.3657080        
  7      7.8013800              0.1730430        
  8      4.8699100              0.9047650        
  9      2.7428100              0.7788370        
 10      1.7119200             -3.6748070        
 11      1.0158000             -0.2814290        
 12      0.5725730              4.3832080        
 13      0.2878640             -1.3107940        
 14      0.1415920             -2.0136030        
 15      0.0675100              0.8160260        
S   15
  1    413.6000000              0.0001010        
  2    103.5350000             -0.0028110        
  3     64.1243000              0.0117530        
  4     39.8615000             -0.0121690        
  5     24.7987000             -0.0757860        
  6     13.9302000              0.3634740        
  7      7.8013800              0.2182630        
  8      4.8699100             -2.5719310        
  9      2.7428100              0.7049640        
 10      1.7119200              8.4353250        
 11      1.0158000            -10.7771740        
 12      0.5725730              2.0354810        
 13      0.2878640              4.8458390        
 14      0.1415920             -3.8200850        
 15      0.0675100             -0.1992670        
S   15
  1    413.6000000              0.0007230        
  2    103.5350000             -0.0245520        
  3     64.1243000              0.1165430        
  4     39.8615000             -0.2862430        
  5     24.7987000              0.3824860        
  6     13.9302000             -0.4129910        
  7      7.8013800              2.9730610        
  8      4.8699100            -10.5360960        
  9      2.7428100             17.8678350        
 10      1.7119200             -8.5137410        
 11      1.0158000            -10.8888750        
 12      0.5725730             16.9161650        
 13      0.2878640            -10.5173940        
 14      0.1415920              2.4231110        
 15      0.0675100              2.1083970        
S   1
  1      0.0318870              1.0000000        
P   12
  1    393.3780000              0.0000050        
  2     34.4003000              0.0019530        
  3     21.4843000             -0.0225700        
  4     13.4194000              0.1043340        
  5      8.3804900             -0.1002180        
  6      5.1899400             -0.2322400        
  7      1.8586300              0.3832730        
  8      1.0315300              0.4888420        
  9      0.5492050              0.2701700        
 10      0.2700570              0.0549560        
 11      0.1241700              0.0032310        
 12      0.0562650              0.0007140        
P   12
  1    393.3780000             -0.0000010        
  2     34.4003000             -0.0005970        
  3     21.4843000              0.0067220        
  4     13.4194000             -0.0315200        
  5      8.3804900              0.0334640        
  6      5.1899400              0.0654460        
  7      1.8586300             -0.1329850        
  8      1.0315300             -0.1837780        
  9      0.5492050             -0.0979100        
 10      0.2700570              0.1553100        
 11      0.1241700              0.4305860        
 12      0.0562650              0.4499480        
P   12
  1    393.3780000             -0.0000040        
  2     34.4003000             -0.0010070        
  3     21.4843000              0.0133030        
  4     13.4194000             -0.0659420        
  5      8.3804900              0.0680320        
  6      5.1899400              0.1546200        
  7      1.8586300             -0.3345030        
  8      1.0315300             -0.4867300        
  9      0.5492050              0.0680490        
 10      0.2700570              0.6768730        
 11      0.1241700              0.4130540        
 12      0.0562650              0.0407020        
P   12
  1    393.3780000             -0.0000200        
  2     34.4003000              0.0006900        
  3     21.4843000              0.0096580        
  4     13.4194000             -0.0763270        
  5      8.3804900              0.0588180        
  6      5.1899400              0.3278770        
  7      1.8586300             -0.9464050        
  8      1.0315300             -0.6305640        
  9      0.5492050              1.6323920        
 10      0.2700570              0.2341700        
 11      0.1241700             -0.9225510        
 12      0.0562650             -0.1668600        
P   12
  1    393.3780000              0.0000310        
  2     34.4003000             -0.0011490        
  3     21.4843000             -0.0147660        
  4     13.4194000              0.1225100        
  5      8.3804900             -0.0880640        
  6      5.1899400             -0.6398770        
  7      1.8586300              3.3651140        
  8      1.0315300             -3.4776510        
  9      0.5492050             -0.2409940        
 10      0.2700570              2.2262310        
 11      0.1241700             -1.0132520        
 12      0.0562650             -0.3037430        
P   12
  1    393.3780000             -0.0005760        
  2     34.4003000              0.1051820        
  3     21.4843000             -0.5513360        
  4     13.4194000              1.5580790        
  5      8.3804900             -2.4882440        
  6      5.1899400              1.3706840        
  7      1.8586300              3.5240310        
  8      1.0315300             -8.2203150        
  9      0.5492050              8.1974080        
 10      0.2700570             -4.3726250        
 11      0.1241700              0.7179430        
 12      0.0562650              0.5610450        
P   1
  1      0.0251200              1.0000000        
D   10
  1     58.1968000              0.0000860        
  2     20.2554000             -0.0006670        
  3     12.6079000              0.0076160        
  4      5.8790400             -0.0613110        
  5      1.9818600              0.1725670        
  6      1.1232200              0.2879770        
  7      0.6296090              0.3035360        
  8      0.3455230              0.2480300        
  9      0.1837110              0.1567080        
 10      0.0939850              0.0638530        
D   10
  1     58.1968000             -0.0001370        
  2     20.2554000              0.0010940        
  3     12.6079000             -0.0095830        
  4      5.8790400              0.0753300        
  5      1.9818600             -0.2469430        
  6      1.1232200             -0.4422110        
  7      0.6296090             -0.1577800        
  8      0.3455230              0.2625890        
  9      0.1837110              0.4399190        
 10      0.0939850              0.2968390        
D   10
  1     58.1968000              0.0004750        
  2     20.2554000             -0.0045800        
  3     12.6079000              0.0208790        
  4      5.8790400             -0.1273270        
  5      1.9818600              0.5802830        
  6      1.1232200              0.5251810        
  7      0.6296090             -0.7014920        
  8      0.3455230             -0.6187960        
  9      0.1837110              0.1625180        
 10      0.0939850              0.5585850        
D   10
  1     58.1968000              0.0008940        
  2     20.2554000             -0.0093280        
  3     12.6079000              0.0388740        
  4      5.8790400             -0.2284820        
  5      1.9818600              1.6233820        
  6      1.1232200             -0.9640830        
  7      0.6296090             -1.3247310        
  8      0.3455230              1.1506530        
  9      0.1837110              0.5492260        
 10      0.0939850             -0.5367150        
D   10
  1     58.1968000              0.0057080        
  2     20.2554000             -0.0592650        
  3     12.6079000              0.1047510        
  4      5.8790400              0.1049320        
  5      1.9818600             -2.8794460        
  6      1.1232200              5.3285780        
  7      0.6296090             -3.7713170        
  8      0.3455230              0.2708710        
  9      0.1837110              1.1748770        
 10      0.0939850             -0.1838840        
D   1
  1      0.0451010              1.0000000        
F   1
  1      1.9666000              1.0000000        
F   1
  1      0.9739000              1.0000000        
F   1
  1      0.4823000              1.0000000        
F   1
  1      0.2388000              1.0000000        
G   1
  1      2.3675000              1.0000000        
G   1
  1      1.0229000              1.0000000        
G   1
  1      0.4419000              1.0000000        
H   1
  1      1.8436000              1.0000000        
H   1
  1      0.7332000              1.0000000        
I   1
  1      1.5370000              1.0000000        


name: cc-pV5Z-PP-RI
elt: Cu
data:
COPPER
S   1
  1     35.485800000            1.0000000        
S   1
  1     19.636300000            1.0000000        
S   1
  1     11.819500000            1.0000000        
S   1
  1      7.1266600000           1.0000000        
S   1
  1      4.1964500000           1.0000000        
S   1
  1      2.2849800000           1.0000000        
S   1
  1      1.1826200000           1.0000000        
S   1
  1      0.62988300000          1.0000000        
S   1
  1      0.31917600000          1.0000000        
S   1
  1      0.15387800000          1.0000000        
S   1
  1      0.84613800000E-01            1.0000000        
S   1
  1      0.46707400000E-01            1.0000000        
P   1
  1     34.680200000            1.0000000        
P   1
  1     18.786200000            1.0000000        
P   1
  1     11.466000000            1.0000000        
P   1
  1      6.9360700000           1.0000000        
P   1
  1      3.6306700000           1.0000000        
P   1
  1      2.2483000000           1.0000000        
P   1
  1      1.2010600000           1.0000000        
P   1
  1      0.68421100000          1.0000000        
P   1
  1      0.39041200000          1.0000000        
P   1
  1      0.23137600000          1.0000000        
P   1
  1      0.12009800000          1.0000000        
P   1
  1      0.59732600000E-01            1.0000000        
D   1
  1     30.353500000            1.0000000        
D   1
  1     18.352400000            1.0000000        
D   1
  1     11.009900000            1.0000000        
D   1
  1      5.8912800000           1.0000000        
D   1
  1      3.2823300000           1.0000000        
D   1
  1      2.1406100000           1.0000000        
D   1
  1      1.1141400000           1.0000000        
D   1
  1      0.57048100000          1.0000000        
D   1
  1      0.32828400000          1.0000000        
D   1
  1      0.19177000000          1.0000000        
D   1
  1      0.11126200000          1.0000000        
F   1
  1     30.011600000            1.0000000        
F   1
  1     18.599800000            1.0000000        
F   1
  1     11.547800000            1.0000000        
F   1
  1      7.2714700000           1.0000000        
F   1
  1      4.0424500000           1.0000000        
F   1
  1      2.3793200000           1.0000000        
F   1
  1      1.2883700000           1.0000000        
F   1
  1      0.70009400000          1.0000000        
F   1
  1      0.34630400000          1.0000000        
F   1
  1      0.19779100000          1.0000000        
G   1
  1     42.224300000            1.0000000        
G   1
  1     17.878000000            1.0000000        
G   1
  1     11.928200000            1.0000000        
G   1
  1      6.6407000000           1.0000000        
G   1
  1      4.2400100000           1.0000000        
G   1
  1      2.2241700000           1.0000000        
G   1
  1      1.2140100000           1.0000000        
G   1
  1      0.53984700000          1.0000000        
G   1
  1      0.30477500000          1.0000000        
H   1
  1     21.616300000            1.0000000        
H   1
  1     11.709600000            1.0000000        
H   1
  1      6.7731700000           1.0000000        
H   1
  1      4.2973900000           1.0000000        
H   1
  1      2.2828100000           1.0000000        
H   1
  1      0.93873200000          1.0000000        
I   1
  1     17.147800000            1.0000000        
I   1
  1      9.3421100000           1.0000000        
I   1
  1      5.6973100000           1.0000000        
I   1
  1      3.4147300000           1.0000000        
I   1
  1      1.7184500000           1.0000000        
K   1
  1     12.813400000            1.0000000        
K   1
  1      6.9875100000           1.0000000        
K   1
  1      3.1796700000           1.0000000        
L   1
  1      9.4557400000           1.0000000        
L   1
  1      6.1802900000           1.0000000        


name: cc-pV5Z-PP-RI
elt: Zn
data:
ZINC
S   1
  1     41.367700000            1.0000000        
S   1
  1     23.303200000            1.0000000        
S   1
  1     14.057400000            1.0000000        
S   1
  1      8.1348900000           1.0000000        
S   1
  1      4.6126500000           1.0000000        
S   1
  1      2.5659400000           1.0000000        
S   1
  1      1.3908100000           1.0000000        
S   1
  1      0.76734900000          1.0000000        
S   1
  1      0.41301700000          1.0000000        
S   1
  1      0.21334500000          1.0000000        
S   1
  1      0.11801400000          1.0000000        
S   1
  1      0.61662700000E-01            1.0000000        
P   1
  1     37.647900000            1.0000000        
P   1
  1     20.282700000            1.0000000        
P   1
  1     12.672200000            1.0000000        
P   1
  1      7.8922500000           1.0000000        
P   1
  1      4.3444600000           1.0000000        
P   1
  1      2.7920900000           1.0000000        
P   1
  1      1.5244100000           1.0000000        
P   1
  1      0.84109300000          1.0000000        
P   1
  1      0.45395900000          1.0000000        
P   1
  1      0.25802500000          1.0000000        
P   1
  1      0.13431700000          1.0000000        
P   1
  1      0.69370700000E-01            1.0000000        
D   1
  1     35.053500000            1.0000000        
D   1
  1     21.463700000            1.0000000        
D   1
  1     12.419300000            1.0000000        
D   1
  1      6.7172100000           1.0000000        
D   1
  1      4.0221900000           1.0000000        
D   1
  1      2.4965600000           1.0000000        
D   1
  1      1.3141400000           1.0000000        
D   1
  1      0.71468200000          1.0000000        
D   1
  1      0.40760700000          1.0000000        
D   1
  1      0.22929200000          1.0000000        
D   1
  1      0.13074500000          1.0000000        
F   1
  1     35.530500000            1.0000000        
F   1
  1     22.046400000            1.0000000        
F   1
  1     13.260300000            1.0000000        
F   1
  1      8.2442900000           1.0000000        
F   1
  1      4.7634800000           1.0000000        
F   1
  1      2.6583800000           1.0000000        
F   1
  1      1.5533900000           1.0000000        
F   1
  1      0.77802100000          1.0000000        
F   1
  1      0.42723300000          1.0000000        
F   1
  1      0.22349900000          1.0000000        
G   1
  1     47.998700000            1.0000000        
G   1
  1     20.923400000            1.0000000        
G   1
  1     13.851400000            1.0000000        
G   1
  1      7.7958600000           1.0000000        
G   1
  1      5.0208800000           1.0000000        
G   1
  1      2.6459900000           1.0000000        
G   1
  1      1.4915600000           1.0000000        
G   1
  1      0.69908600000          1.0000000        
G   1
  1      0.33133500000          1.0000000        
H   1
  1     24.406400000            1.0000000        
H   1
  1     13.201700000            1.0000000        
H   1
  1      7.8152200000           1.0000000        
H   1
  1      4.9222900000           1.0000000        
H   1
  1      2.6590400000           1.0000000        
H   1
  1      1.1347300000           1.0000000        
I   1
  1     19.466600000            1.0000000        
I   1
  1     10.547600000            1.0000000        
I   1
  1      6.5743700000           1.0000000        
I   1
  1      3.9181500000           1.0000000        
I   1
  1      2.0718400000           1.0000000        
K   1
  1     13.984300000            1.0000000        
K   1
  1      8.1081200000           1.0000000        
K   1
  1      3.7330900000           1.0000000        
L   1
  1     10.402900000            1.0000000        
L   1
  1      7.1843300000           1.0000000        


name: cc-pV5Z-PP-RI
elt: Ag
data:
SILVER
S   1
  1     14.969600000            1.0000000        
S   1
  1      8.8755800000           1.0000000        
S   1
  1      6.8563200000           1.0000000        
S   1
  1      4.9602500000           1.0000000        
S   1
  1      2.8258200000           1.0000000        
S   1
  1      1.5636100000           1.0000000        
S   1
  1      0.97615200000          1.0000000        
S   1
  1      0.56675900000          1.0000000        
S   1
  1      0.29640500000          1.0000000        
S   1
  1      0.16208200000          1.0000000        
S   1
  1      0.68560300000E-01            1.0000000        
S   1
  1      0.29514600000E-01            1.0000000        
P   1
  1     11.420400000            1.0000000        
P   1
  1      6.8617100000           1.0000000        
P   1
  1      5.0699200000           1.0000000        
P   1
  1      3.8387100000           1.0000000        
P   1
  1      2.1854600000           1.0000000        
P   1
  1      1.2256700000           1.0000000        
P   1
  1      0.68065800000          1.0000000        
P   1
  1      0.36959500000          1.0000000        
P   1
  1      0.20115800000          1.0000000        
P   1
  1      0.11746600000          1.0000000        
P   1
  1      0.60216400000E-01            1.0000000        
P   1
  1      0.29799700000E-01            1.0000000        
D   1
  1     11.597400000            1.0000000        
D   1
  1      8.4415700000           1.0000000        
D   1
  1      6.4042400000           1.0000000        
D   1
  1      3.5539200000           1.0000000        
D   1
  1      2.0113400000           1.0000000        
D   1
  1      1.4233900000           1.0000000        
D   1
  1      0.75471800000          1.0000000        
D   1
  1      0.39958400000          1.0000000        
D   1
  1      0.23685100000          1.0000000        
D   1
  1      0.12451900000          1.0000000        
D   1
  1      0.63631700000E-01            1.0000000        
F   1
  1     11.555900000            1.0000000        
F   1
  1      8.2431400000           1.0000000        
F   1
  1      6.2457600000           1.0000000        
F   1
  1      3.6501100000           1.0000000        
F   1
  1      2.1055200000           1.0000000        
F   1
  1      1.2783800000           1.0000000        
F   1
  1      0.68690200000          1.0000000        
F   1
  1      0.38820600000          1.0000000        
F   1
  1      0.17815800000          1.0000000        
F   1
  1      0.93364500000E-01            1.0000000        
G   1
  1     12.214700000            1.0000000        
G   1
  1      7.2615300000           1.0000000        
G   1
  1      5.0078100000           1.0000000        
G   1
  1      2.9889700000           1.0000000        
G   1
  1      1.9480100000           1.0000000        
G   1
  1      1.0215500000           1.0000000        
G   1
  1      0.68875800000          1.0000000        
G   1
  1      0.32535200000          1.0000000        
G   1
  1      0.15036700000          1.0000000        
H   1
  1      8.3269900000           1.0000000        
H   1
  1      5.2376700000           1.0000000        
H   1
  1      3.2896400000           1.0000000        
H   1
  1      1.9672400000           1.0000000        
H   1
  1      1.2195200000           1.0000000        
H   1
  1      0.66947100000          1.0000000        
I   1
  1      5.5443500000           1.0000000        
I   1
  1      4.2525500000           1.0000000        
I   1
  1      2.3341000000           1.0000000        
I   1
  1      1.4260000000           1.0000000        
I   1
  1      0.83366900000          1.0000000        
K   1
  1      4.6906100000           1.0000000        
K   1
  1      3.2949300000           1.0000000        
K   1
  1      1.7710700000           1.0000000        
L   1
  1      4.9150000000           1.0000000        
L   1
  1      3.0158300000           1.0000000        


name: cc-pV5Z-PP-RI
elt: Cd
data:
CADMIUM
S   1
  1     16.842500000            1.0000000        
S   1
  1      9.9860300000           1.0000000        
S   1
  1      7.7141300000           1.0000000        
S   1
  1      5.5808400000           1.0000000        
S   1
  1      3.1793700000           1.0000000        
S   1
  1      1.7592400000           1.0000000        
S   1
  1      1.0982800000           1.0000000        
S   1
  1      0.63766700000          1.0000000        
S   1
  1      0.33348900000          1.0000000        
S   1
  1      0.15181700000          1.0000000        
S   1
  1      0.68803100000E-01            1.0000000        
S   1
  1      0.31500700000E-01            1.0000000        
P   1
  1     13.142300000            1.0000000        
P   1
  1      7.5998100000           1.0000000        
P   1
  1      5.6214800000           1.0000000        
P   1
  1      4.3060100000           1.0000000        
P   1
  1      2.4822500000           1.0000000        
P   1
  1      1.3901200000           1.0000000        
P   1
  1      0.80530000000          1.0000000        
P   1
  1      0.45111500000          1.0000000        
P   1
  1      0.24276300000          1.0000000        
P   1
  1      0.13965900000          1.0000000        
P   1
  1      0.71572700000E-01            1.0000000        
P   1
  1      0.35317700000E-01            1.0000000        
D   1
  1     13.048300000            1.0000000        
D   1
  1      9.4977200000           1.0000000        
D   1
  1      7.2054900000           1.0000000        
D   1
  1      3.9985600000           1.0000000        
D   1
  1      2.2629800000           1.0000000        
D   1
  1      1.6014700000           1.0000000        
D   1
  1      0.84914300000          1.0000000        
D   1
  1      0.44957700000          1.0000000        
D   1
  1      0.26648300000          1.0000000        
D   1
  1      0.14009800000          1.0000000        
D   1
  1      0.69146600000E-01            1.0000000        
F   1
  1     13.541200000            1.0000000        
F   1
  1      9.4760600000           1.0000000        
F   1
  1      7.1684000000           1.0000000        
F   1
  1      4.1289900000           1.0000000        
F   1
  1      2.4465200000           1.0000000        
F   1
  1      1.4555600000           1.0000000        
F   1
  1      0.81325400000          1.0000000        
F   1
  1      0.50580200000          1.0000000        
F   1
  1      0.21399000000          1.0000000        
F   1
  1      0.11187800000          1.0000000        
G   1
  1     14.763600000            1.0000000        
G   1
  1      8.7032700000           1.0000000        
G   1
  1      5.7950000000           1.0000000        
G   1
  1      3.5206900000           1.0000000        
G   1
  1      2.2817500000           1.0000000        
G   1
  1      1.2592000000           1.0000000        
G   1
  1      0.84401200000          1.0000000        
G   1
  1      0.39591500000          1.0000000        
G   1
  1      0.17455300000          1.0000000        
H   1
  1      9.4047200000           1.0000000        
H   1
  1      5.8471500000           1.0000000        
H   1
  1      3.7430300000           1.0000000        
H   1
  1      2.3423700000           1.0000000        
H   1
  1      1.4314800000           1.0000000        
H   1
  1      0.79461700000          1.0000000        
I   1
  1      6.0915300000           1.0000000        
I   1
  1      4.8277500000           1.0000000        
I   1
  1      2.6661300000           1.0000000        
I   1
  1      1.6780700000           1.0000000        
I   1
  1      1.0201600000           1.0000000        
K   1
  1      5.2841900000           1.0000000        
K   1
  1      3.7077700000           1.0000000        
K   1
  1      1.8764000000           1.0000000        
L   1
  1      5.7514400000           1.0000000        
L   1
  1      3.4944500000           1.0000000        


name: cc-pV5Z-PP-RI
elt: Au
data:
GOLD
S   1
  1     14.902400000            1.0000000        
S   1
  1      8.7269700000           1.0000000        
S   1
  1      5.9490500000           1.0000000        
S   1
  1      4.0657600000           1.0000000        
S   1
  1      2.4736000000           1.0000000        
S   1
  1      1.3890300000           1.0000000        
S   1
  1      0.83365400000          1.0000000        
S   1
  1      0.49221800000          1.0000000        
S   1
  1      0.23154600000          1.0000000        
S   1
  1      0.91251700000E-01            1.0000000        
S   1
  1      0.45247000000E-01            1.0000000        
S   1
  1      0.23972400000E-01            1.0000000        
P   1
  1      9.9717700000           1.0000000        
P   1
  1      5.9400700000           1.0000000        
P   1
  1      4.4928700000           1.0000000        
P   1
  1      3.4729500000           1.0000000        
P   1
  1      1.9716800000           1.0000000        
P   1
  1      1.1254800000           1.0000000        
P   1
  1      0.67768600000          1.0000000        
P   1
  1      0.40270000000          1.0000000        
P   1
  1      0.21917600000          1.0000000        
P   1
  1      0.12281100000          1.0000000        
P   1
  1      0.61323200000E-01            1.0000000        
P   1
  1      0.29966600000E-01            1.0000000        
D   1
  1     11.380100000            1.0000000        
D   1
  1      6.7801000000           1.0000000        
D   1
  1      4.6906200000           1.0000000        
D   1
  1      3.0888200000           1.0000000        
D   1
  1      1.6738000000           1.0000000        
D   1
  1      1.1389200000           1.0000000        
D   1
  1      0.60606300000          1.0000000        
D   1
  1      0.36132400000          1.0000000        
D   1
  1      0.19743000000          1.0000000        
D   1
  1      0.10527200000          1.0000000        
D   1
  1      0.57104400000E-01            1.0000000        
F   1
  1     13.129900000            1.0000000        
F   1
  1      7.6112200000           1.0000000        
F   1
  1      4.5519900000           1.0000000        
F   1
  1      3.1437600000           1.0000000        
F   1
  1      1.8873300000           1.0000000        
F   1
  1      1.2365000000           1.0000000        
F   1
  1      0.70440200000          1.0000000        
F   1
  1      0.41950400000          1.0000000        
F   1
  1      0.20321800000          1.0000000        
F   1
  1      0.10318600000          1.0000000        
G   1
  1     12.376100000            1.0000000        
G   1
  1      7.3372000000           1.0000000        
G   1
  1      5.0568800000           1.0000000        
G   1
  1      3.1633900000           1.0000000        
G   1
  1      2.0080900000           1.0000000        
G   1
  1      1.2436200000           1.0000000        
G   1
  1      0.68412600000          1.0000000        
G   1
  1      0.36851300000          1.0000000        
G   1
  1      0.15304400000          1.0000000        
H   1
  1      7.6784400000           1.0000000        
H   1
  1      4.5969900000           1.0000000        
H   1
  1      2.8675900000           1.0000000        
H   1
  1      1.8580500000           1.0000000        
H   1
  1      0.97767500000          1.0000000        
H   1
  1      0.49278100000          1.0000000        
I   1
  1      4.6580600000           1.0000000        
I   1
  1      3.2437500000           1.0000000        
I   1
  1      1.7793200000           1.0000000        
I   1
  1      0.85126900000          1.0000000        
K   1
  1      4.6445000000           1.0000000        
K   1
  1      2.8292800000           1.0000000        
K   1
  1      1.2905100000           1.0000000        
L   1
  1      4.6638300000           1.0000000        
L   1
  1      2.3989800000           1.0000000        


name: cc-pV5Z-PP-RI
elt: Hg
data:
MERCURY
S   1
  1     16.791600000            1.0000000        
S   1
  1      9.7447100000           1.0000000        
S   1
  1      6.6215300000           1.0000000        
S   1
  1      4.5812000000           1.0000000        
S   1
  1      2.5648100000           1.0000000        
S   1
  1      1.4280000000           1.0000000        
S   1
  1      0.87703200000          1.0000000        
S   1
  1      0.55527400000          1.0000000        
S   1
  1      0.33639800000          1.0000000        
S   1
  1      0.14323800000          1.0000000        
S   1
  1      0.62484800000E-01            1.0000000        
S   1
  1      0.30312200000E-01            1.0000000        
P   1
  1     10.470200000            1.0000000        
P   1
  1      6.5300100000           1.0000000        
P   1
  1      5.1097800000           1.0000000        
P   1
  1      4.0589600000           1.0000000        
P   1
  1      2.3646400000           1.0000000        
P   1
  1      1.3597600000           1.0000000        
P   1
  1      0.78628500000          1.0000000        
P   1
  1      0.44665100000          1.0000000        
P   1
  1      0.24594700000          1.0000000        
P   1
  1      0.14198300000          1.0000000        
P   1
  1      0.72371100000E-01            1.0000000        
P   1
  1      0.35402800000E-01            1.0000000        
D   1
  1     12.728900000            1.0000000        
D   1
  1      7.6856400000           1.0000000        
D   1
  1      5.3772400000           1.0000000        
D   1
  1      3.5744900000           1.0000000        
D   1
  1      1.9969400000           1.0000000        
D   1
  1      1.3756000000           1.0000000        
D   1
  1      0.73674600000          1.0000000        
D   1
  1      0.44611300000          1.0000000        
D   1
  1      0.23937500000          1.0000000        
D   1
  1      0.14137300000          1.0000000        
D   1
  1      0.69928500000E-01            1.0000000        
F   1
  1     15.089000000            1.0000000        
F   1
  1      8.8231100000           1.0000000        
F   1
  1      5.3303900000           1.0000000        
F   1
  1      3.6524800000           1.0000000        
F   1
  1      2.1188900000           1.0000000        
F   1
  1      1.3656300000           1.0000000        
F   1
  1      0.77932200000          1.0000000        
F   1
  1      0.46857700000          1.0000000        
F   1
  1      0.23941700000          1.0000000        
F   1
  1      0.11999500000          1.0000000        
G   1
  1     14.046500000            1.0000000        
G   1
  1      8.3252100000           1.0000000        
G   1
  1      5.7557100000           1.0000000        
G   1
  1      3.5406100000           1.0000000        
G   1
  1      2.1282700000           1.0000000        
G   1
  1      1.2743200000           1.0000000        
G   1
  1      0.71106200000          1.0000000        
G   1
  1      0.43232100000          1.0000000        
G   1
  1      0.18139700000          1.0000000        
H   1
  1      8.1026000000           1.0000000        
H   1
  1      4.9669800000           1.0000000        
H   1
  1      3.1877800000           1.0000000        
H   1
  1      2.0966200000           1.0000000        
H   1
  1      1.1109200000           1.0000000        
H   1
  1      0.57876400000          1.0000000        
I   1
  1      4.9232600000           1.0000000        
I   1
  1      3.5687400000           1.0000000        
I   1
  1      2.0087700000           1.0000000        
I   1
  1      0.97710600000          1.0000000        
K   1
  1      4.8495900000           1.0000000        
K   1
  1      3.0669800000           1.0000000        
K   1
  1      1.4309200000           1.0000000        
L   1
  1      5.0477600000           1.0000000        
L   1
  1      2.6260800000           1.0000000        


name: cc-pV5Z-NR
description: 5Z4P All-electron non-relativistic Valence Quintuple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   27
  1      1.19495E+08            6.485949E-08     
  2      2.14992E+07            4.284789E-07     
  3      4.80703E+06            2.485007E-06     
  4      1.28440E+06            1.1422E-05       
  5 3965950.0000000             4.44696E-05      
  6 1375750.0000000             0.0001513206     
  7  52366.8000000              0.0004641311     
  8  21454.9000000              0.001311834      
  9   9316.0600000              0.003474539      
 10   4235.4000000              0.008703081      
 11   1997.4400000              0.02066048       
 12    970.4300000              0.04605121       
 13    483.2710000              0.09414403       
 14    245.8060000              0.1684787        
 15    127.3600000              0.2427557        
 16     67.0788000              0.2400019        
 17     35.8371000              0.1296899        
 18     19.3713000              0.05179276       
 19     10.5571000              0.08932598       
 20      5.7724900              0.1143741        
 21      3.1454000              0.05378437       
 22      1.6924900              0.007075763      
 23      0.8886490              0.0004599282     
 24      0.4710930             -4.575677E-05     
 25      0.2492860              1.697886E-05     
 26      0.0999880             -4.762361E-06     
 27      0.0463690              1.15018E-05      
S   27
  1      1.19495E+08           -3.759394E-08     
  2      2.14992E+07           -2.483745E-07     
  3      4.80703E+06           -1.440342E-06     
  4      1.28440E+06           -6.621203E-06     
  5 3965950.0000000            -2.577627E-05     
  6 1375750.0000000            -8.773842E-05     
  7  52366.8000000             -0.0002691491     
  8  21454.9000000             -0.0007615431     
  9   9316.0600000             -0.002020037      
 10   4235.4000000             -0.005080893      
 11   1997.4400000             -0.01215118       
 12    970.4300000             -0.02752281       
 13    483.2710000             -0.0579725        
 14    245.8060000             -0.1101259        
 15    127.3600000             -0.1781088        
 16     67.0788000             -0.2198344        
 17     35.8371000             -0.1529949        
 18     19.3713000              0.05678122       
 19     10.5571000              0.3530772        
 20      5.7724900              0.4663403        
 21      3.1454000              0.2199163        
 22      1.6924900              0.0288919        
 23      0.8886490              0.0007763282     
 24      0.4710930             -0.0008474216     
 25      0.2492860             -0.0001233881     
 26      0.0999880             -1.245485E-05     
 27      0.0463690              3.90627E-05      
S   27
  1      1.19495E+08            7.277775E-09     
  2      2.14992E+07            4.808602E-08     
  3      4.80703E+06            2.788306E-07     
  4      1.28440E+06            1.281931E-06     
  5 3965950.0000000             4.990129E-06     
  6 1375750.0000000             1.699051E-05     
  7  52366.8000000              5.2127E-05       
  8  21454.9000000              0.0001476347     
  9   9316.0600000              0.0003921373     
 10   4235.4000000              0.0009900468     
 11   1997.4400000              0.002383475      
 12    970.4300000              0.005475682      
 13    483.2710000              0.01183105       
 14    245.8060000              0.02357475       
 15    127.3600000              0.04140241       
 16     67.0788000              0.05818726       
 17     35.8371000              0.0459613        
 18     19.3713000             -0.02847061       
 19     10.5571000             -0.1817584        
 20      5.7724900             -0.3512111        
 21      3.1454000             -0.2324215        
 22      1.6924900              0.2277188        
 23      0.8886490              0.5757256        
 24      0.4710930              0.4062223        
 25      0.2492860              0.08525293       
 26      0.0999880              0.003975498      
 27      0.0463690              0.001954373      
S   27
  1      1.19495E+08           -1.751768E-09     
  2      2.14992E+07           -1.157503E-08     
  3      4.80703E+06           -6.711375E-08     
  4      1.28440E+06           -3.085845E-07     
  5 3965950.0000000            -1.201088E-06     
  6 1375750.0000000            -4.090037E-06     
  7  52366.8000000             -1.254629E-05     
  8  21454.9000000             -3.554102E-05     
  9   9316.0600000             -9.43816E-05      
 10   4235.4000000             -0.0002383648     
 11   1997.4400000             -0.0005737202     
 12    970.4300000             -0.001318746      
 13    483.2710000             -0.002849209      
 14    245.8060000             -0.005684235      
 15    127.3600000             -0.009991445      
 16     67.0788000             -0.01409713       
 17     35.8371000             -0.01116554       
 18     19.3713000              0.006912254      
 19     10.5571000              0.04558164       
 20      5.7724900              0.09219903       
 21      3.1454000              0.06237781       
 22      1.6924900             -0.07194592       
 23      0.8886490             -0.1917054        
 24      0.4710930             -0.2379872        
 25      0.2492860             -0.1129999        
 26      0.0999880              0.3424078        
 27      0.0463690              0.6263064        
S   27
  1      1.19495E+08            3.023751E-09     
  2      2.14992E+07            2.009343E-08     
  3      4.80703E+06            1.156659E-07     
  4      1.28440E+06            5.364214E-07     
  5 3965950.0000000             2.066097E-06     
  6 1375750.0000000             7.126727E-06     
  7  52366.8000000              2.151877E-05     
  8  21454.9000000              6.213603E-05     
  9   9316.0600000              0.0001612839     
 10   4235.4000000              0.0004183292     
 11   1997.4400000              0.0009766017     
 12    970.4300000              0.002324551      
 13    483.2710000              0.004827024      
 14    245.8060000              0.01009998       
 15    127.3600000              0.01673441       
 16     67.0788000              0.02581961       
 17     35.8371000              0.01659005       
 18     19.3713000             -0.005993844      
 19     10.5571000             -0.0926521        
 20      5.7724900             -0.1475540        
 21      3.1454000             -0.1531648        
 22      1.6924900              0.2278575        
 23      0.8886490              0.3441065        
 24      0.4710930              0.7482063        
 25      0.2492860             -0.7586006        
 26      0.0999880             -1.4928450        
 27      0.0463690              0.7089234        
S   27
  1      1.19495E+08           -4.699340E-09     
  2      2.14992E+07           -3.121033E-08     
  3      4.80703E+06           -1.797873E-07     
  4      1.28440E+06           -8.330969E-07     
  5 3965950.0000000            -3.212062E-06     
  6 1375750.0000000            -1.106577E-05     
  7  52366.8000000             -3.346404E-05     
  8  21454.9000000             -9.645132E-05     
  9   9316.0600000             -0.0002509128     
 10   4235.4000000             -0.0006492071     
 11   1997.4400000             -0.00152021       
 12    970.4300000             -0.003607668      
 13    483.2710000             -0.007524161      
 14    245.8060000             -0.01568944       
 15    127.3600000             -0.02620054       
 16     67.0788000             -0.04021946       
 17     35.8371000             -0.0266263        
 18     19.3713000              0.0103293        
 19     10.5571000              0.1480576        
 20      5.7724900              0.2660165        
 21      3.1454000              0.2494336        
 22      1.6924900             -0.5406974        
 23      0.8886490             -1.0455560        
 24      0.4710930             -0.1827419        
 25      0.2492860              2.7494060        
 26      0.0999880             -1.3299880        
 27      0.0463690             -1.6513890        
S   27
  1      1.19495E+08           -5.382706E-09     
  2      2.14992E+07           -3.464964E-08     
  3      4.80703E+06           -2.077081E-07     
  4      1.28440E+06           -9.176214E-07     
  5 3965950.0000000            -3.749175E-06     
  6 1375750.0000000            -1.202459E-05     
  7  52366.8000000             -3.967943E-05     
  8  21454.9000000             -0.000102818      
  9   9316.0600000             -0.0003033647     
 10   4235.4000000             -0.0006770787     
 11   1997.4400000             -0.001876278      
 12    970.4300000             -0.003671941      
 13    483.2710000             -0.009536033      
 14    245.8060000             -0.01530677       
 15    127.3600000             -0.03545668       
 16     67.0788000             -0.03294163       
 17     35.8371000             -0.05839314       
 18     19.3713000              0.06538662       
 19     10.5571000              0.06318978       
 20      5.7724900              0.5906996        
 21      3.1454000             -0.1332877        
 22      1.6924900             -0.3017064        
 23      0.8886490             -2.9699010        
 24      0.4710930              4.8140880        
 25      0.2492860             -0.8352144        
 26      0.0999880             -4.4018360        
 27      0.0463690              5.7299890        
S   27
  1      1.19495E+08            8.181715E-09     
  2      2.14992E+07            5.531212E-08     
  3      4.80703E+06            3.110133E-07     
  4      1.28440E+06            1.484627E-06     
  5 3965950.0000000             5.51788E-06      
  6 1375750.0000000             1.987947E-05     
  7  52366.8000000              5.688854E-05     
  8  21454.9000000              0.0001752133     
  9   9316.0600000              0.0004210802     
 10   4235.4000000              0.001193679      
 11   1997.4400000              0.002520603      
 12    970.4300000              0.006726648      
 13    483.2710000              0.01230813       
 14    245.8060000              0.03008461       
 15    127.3600000              0.0414379        
 16     67.0788000              0.08479558       
 17     35.8371000              0.02415501       
 18     19.3713000              0.02824664       
 19     10.5571000             -0.4174669        
 20      5.7724900             -0.5850258        
 21      3.1454000             -0.4454488        
 22      1.6924900              4.1273360        
 23      0.8886490             -2.3051760        
 24      0.4710930             -5.7106890        
 25      0.2492860              9.5485720        
 26      0.0999880             -8.5637150        
 27      0.0463690              6.1856110        
S   1
  1      0.0216060              1.0000000        
P   19
  1  55070.5000000              0.0000020        
  2  13741.7000000              0.0000210        
  3   4365.4000000              0.0001300        
  4   1642.2600000              0.0006120        
  5    694.0660000              0.0023970        
  6    317.7420000              0.0080730        
  7    153.8990000              0.0237260        
  8     77.7665000              0.0606200        
  9     40.6736000              0.1298550        
 10     21.9061000              0.2210980        
 11     12.0795000              0.2932320        
 12      6.7534900              0.2767500        
 13      3.7632100              0.1477940        
 14      2.0497300              0.0320240        
 15      1.0864500              0.0002890        
 16      0.5640870             -0.0014670        
 17      0.2810200             -0.0007670        
 18      0.1215440             -0.0000580        
 19      0.0534590             -0.0000110        
P   19
  1  55070.5000000             -0.0000010        
  2  13741.7000000             -0.0000070        
  3   4365.4000000             -0.0000420        
  4   1642.2600000             -0.0002010        
  5    694.0660000             -0.0007890        
  6    317.7420000             -0.0026690        
  7    153.8990000             -0.0079220        
  8     77.7665000             -0.0205980        
  9     40.6736000             -0.0453750        
 10     21.9061000             -0.0796320        
 11     12.0795000             -0.1106180        
 12      6.7534900             -0.1082040        
 13      3.7632100             -0.0009200        
 14      2.0497300              0.2175660        
 15      1.0864500              0.3921900        
 16      0.5640870              0.3639770        
 17      0.2810200              0.1499530        
 18      0.1215440              0.0151470        
 19      0.0534590              0.0005690        
P   18
  1  13741.7000000              0.0000020        
  2   4365.4000000              0.0000100        
  3   1642.2600000              0.0000490        
  4    694.0660000              0.0001930        
  5    317.7420000              0.0006490        
  6    153.8990000              0.0019420        
  7     77.7665000              0.0050220        
  8     40.6736000              0.0111750        
  9     21.9061000              0.0194730        
 10     12.0795000              0.0276470        
 11      6.7534900              0.0264660        
 12      3.7632100             -0.0014600        
 13      2.0497300             -0.0649950        
 14      1.0864500             -0.1156050        
 15      0.5640870             -0.1382000        
 16      0.2810200              0.0072810        
 17      0.1215440              0.3621410        
 18      0.0534590              0.5420120        
P   18
  1  13741.7000000              0.0000020        
  2   4365.4000000              0.0000120        
  3   1642.2600000              0.0000590        
  4    694.0660000              0.0002320        
  5    317.7420000              0.0007880        
  6    153.8990000              0.0023300        
  7     77.7665000              0.0060940        
  8     40.6736000              0.0133760        
  9     21.9061000              0.0237010        
 10     12.0795000              0.0327890        
 11      6.7534900              0.0329090        
 12      3.7632100             -0.0022310        
 13      2.0497300             -0.0736110        
 14      1.0864500             -0.1369540        
 15      0.5640870             -0.1677060        
 16      0.2810200             -0.0526860        
 17      0.1215440              0.5744330        
 18      0.0534590              0.5236500        
P   18
  1  13741.7000000              0.0000040        
  2   4365.4000000              0.0000270        
  3   1642.2600000              0.0001150        
  4    694.0660000              0.0004920        
  5    317.7420000              0.0015270        
  6    153.8990000              0.0049360        
  7     77.7665000              0.0117470        
  8     40.6736000              0.0286030        
  9     21.9061000              0.0443600        
 10     12.0795000              0.0761920        
 11      6.7534900              0.0576060        
 12      3.7632100              0.0239870        
 13      2.0497300             -0.2155680        
 14      1.0864500             -0.3753780        
 15      0.5640870             -0.4369340        
 16      0.2810200              1.2224720        
 17      0.1215440              0.4294290        
 18      0.0534590             -0.9345890        
P   18
  1  13741.7000000             -0.0000060        
  2   4365.4000000             -0.0000240        
  3   1642.2600000             -0.0001730        
  4    694.0660000             -0.0004550        
  5    317.7420000             -0.0022750        
  6    153.8990000             -0.0045430        
  7     77.7665000             -0.0177420        
  8     40.6736000             -0.0242710        
  9     21.9061000             -0.0756110        
 10     12.0795000             -0.0448790        
 11      6.7534900             -0.1899630        
 12      3.7632100              0.1273510        
 13      2.0497300              0.1161170        
 14      1.0864500              1.3486980        
 15      0.5640870             -1.5123110        
 16      0.2810200             -0.9436110        
 17      0.1215440              2.3074500        
 18      0.0534590             -1.2172370        
P   19
  1  55070.5000000             -0.0000010        
  2  13741.7000000             -0.0000070        
  3   4365.4000000             -0.0000430        
  4   1642.2600000             -0.0002170        
  5    694.0660000             -0.0008070        
  6    317.7420000             -0.0028870        
  7    153.8990000             -0.0081610        
  8     77.7665000             -0.0227130        
  9     40.6736000             -0.0473960        
 10     21.9061000             -0.0896800        
 11     12.0795000             -0.1077940        
 12      6.7534900             -0.1913740        
 13      3.7632100              0.0367240        
 14      2.0497300              1.2010160        
 15      1.0864500              0.3399550        
 16      0.5640870             -3.8022890        
 17      0.2810200              4.4488760        
 18      0.1215440             -2.5130960        
 19      0.0534590              0.4021440        
P   1
  1      0.0232150              1.0000000        
D   11
  1    205.6060000              0.0002380        
  2     61.0227000              0.0021670        
  3     23.3630000              0.0108490        
  4      9.9634600              0.0358810        
  5      4.4894500              0.0934910        
  6      2.1179500              0.1810760        
  7      1.0120180              0.2575930        
  8      0.4810450              0.2918550        
  9      0.2264880              0.2690060        
 10      0.1050570              0.1881740        
 11      0.0476820              0.0732430        
D   11
  1    205.6060000             -0.0002430        
  2     61.0227000             -0.0022140        
  3     23.3630000             -0.0111070        
  4      9.9634600             -0.0369700        
  5      4.4894500             -0.0978150        
  6      2.1179500             -0.1845670        
  7      1.0120180             -0.2472790        
  8      0.4810450             -0.2053770        
  9      0.2264880              0.1036720        
 10      0.1050570              0.4618980        
 11      0.0476820              0.3834000        
D   11
  1    205.6060000             -0.0003220        
  2     61.0227000             -0.0028760        
  3     23.3630000             -0.0148180        
  4      9.9634600             -0.0484380        
  5      4.4894500             -0.1307580        
  6      2.1179500             -0.2428420        
  7      1.0120180             -0.2844310        
  8      0.4810450              0.1037260        
  9      0.2264880              0.7430280        
 10      0.1050570              0.0953370        
 11      0.0476820             -0.6651170        
D   11
  1    205.6060000             -0.0004530        
  2     61.0227000             -0.0037960        
  3     23.3630000             -0.0207730        
  4      9.9634600             -0.0654460        
  5      4.4894500             -0.1943420        
  6      2.1179500             -0.3147140        
  7      1.0120180             -0.2516280        
  8      0.4810450              1.0853150        
  9      0.2264880             -0.0129180        
 10      0.1050570             -1.2437830        
 11      0.0476820              0.7723990        
D   11
  1    205.6060000             -0.0005240        
  2     61.0227000             -0.0067930        
  3     23.3630000             -0.0263190        
  4      9.9634600             -0.1219320        
  5      4.4894500             -0.2498200        
  6      2.1179500             -0.6181690        
  7      1.0120180              0.9989180        
  8      0.4810450              0.5962450        
  9      0.2264880             -2.1382430        
 10      0.1050570              1.9730820        
 11      0.0476820             -0.6527370        
D   1
  1      0.0206600              1.0000000        
F   1
  1      2.3400000              1.0000000        
F   1
  1      0.7657000              1.0000000        
F   1
  1      0.2505000              1.0000000        
F   1
  1      0.0820000              1.0000000        
G   1
  1      1.7272000              1.0000000        
G   1
  1      0.5445000              1.0000000        
G   1
  1      0.1717000              1.0000000        
H   1
  1      1.1592000              1.0000000        
H   1
  1      0.3308000              1.0000000        
I   1
  1      0.5720000              1.0000000        


name: cc-pV5Z-NR
description: 5Z4P All-electron non-relativistic Valence Quintuple Zeta + Polarization
elt: Zn
data:
ZINC
S   27
  1      1.87413E+08            1.009014E-07     
  2      3.35127E+07            6.704747E-07     
  3      7.50475E+06            3.863166E-06     
  4      2.01787E+06            1.756108E-05     
  5 628578.0000000              6.747146E-05     
  6 220163.0000000              0.0002265652     
  7  84595.2000000              0.0006864596     
  8  34955.5000000              0.001919556      
  9  15290.3000000              0.005035036      
 10   6994.9300000              0.01249183       
 11   3316.5900000              0.02931174       
 12   1619.2400000              0.06427367       
 13    810.3430000              0.1280292        
 14    414.3930000              0.2196143        
 15    216.0580000              0.2943285        
 16    114.6350000              0.2592639        
 17     61.7623000              0.1154133        
 18     33.6924000              0.01748179       
 19     18.5315000              0.00123447       
 20     10.2144000              1.030887E-05     
 21      5.5942800              5.407386E-05     
 22      3.0096800             -9.020925E-05     
 23      1.5668400              1.229205E-05     
 24      0.7814370             -1.291299E-05     
 25      0.2581180              5.053007E-06     
 26      0.1385560             -4.083295E-06     
 27      0.0661710              1.77407E-06      
S   27
  1      1.87413E+08           -3.115741E-08     
  2      3.35127E+07           -2.070312E-07     
  3      7.50475E+06           -1.192935E-06     
  4      2.01787E+06           -5.422776E-06     
  5 628578.0000000             -2.083826E-05     
  6 220163.0000000             -6.998988E-05     
  7  84595.2000000             -0.0002122319     
  8  34955.5000000             -0.0005944122     
  9  15290.3000000             -0.001565121      
 10   6994.9300000             -0.003912825      
 11   3316.5900000             -0.009329174      
 12   1619.2400000             -0.02109918       
 13    810.3430000             -0.04460857       
 14    414.3930000             -0.08543854       
 15    216.0580000             -0.1398518        
 16    114.6350000             -0.1674907        
 17     61.7623000             -0.07864897       
 18     33.6924000              0.1871467        
 19     18.5315000              0.4773740        
 20     10.2144000              0.3974608        
 21      5.5942800              0.1119124        
 22      3.0096800              0.01021018       
 23      1.5668400              0.001535466      
 24      0.7814370              0.0003513273     
 25      0.2581180              8.700326E-06     
 26      0.1385560              8.085928E-06     
 27      0.0661710             -4.465779E-06     
S   27
  1      1.87413E+08            1.176468E-08     
  2      3.35127E+07            7.81863E-08      
  3      7.50475E+06            4.504171E-07     
  4      2.01787E+06            2.048043E-06     
  5 628578.0000000              7.867565E-06     
  6 220163.0000000              2.643679E-05     
  7  84595.2000000              8.013127E-05     
  8  34955.5000000              0.0002246143     
  9  15290.3000000              0.0005912514     
 10   6994.9300000              0.00148082       
 11   3316.5900000              0.003533956      
 12   1619.2400000              0.00803224       
 13    810.3430000              0.01708455       
 14    414.3930000              0.03323558       
 15    216.0580000              0.05573178       
 16    114.6350000              0.07004526       
 17     61.7623000              0.03460894       
 18     33.6924000             -0.09417457       
 19     18.5315000             -0.3185785        
 20     10.2144000             -0.3740136        
 21      5.5942800             -0.007223424      
 22      3.0096800              0.4699051        
 23      1.5668400              0.5650018        
 24      0.7814370              0.2128446        
 25      0.2581180              0.01020773       
 26      0.1385560             -0.003216647      
 27      0.0661710              0.0009813901     
S   27
  1      1.87413E+08           -2.356493E-09     
  2      3.35127E+07           -1.565939E-08     
  3      7.50475E+06           -9.022205E-08     
  4      2.01787E+06           -4.101783E-07     
  5 628578.0000000             -1.575992E-06     
  6 220163.0000000             -5.294514E-06     
  7  84595.2000000             -1.605261E-05     
  8  34955.5000000             -4.498259E-05     
  9  15290.3000000             -0.0001184624     
 10   6994.9300000             -0.0002965895     
 11   3316.5900000             -0.0007083659     
 12   1619.2400000             -0.001609791      
 13    810.3430000             -0.003429679      
 14    414.3930000             -0.00667783       
 15    216.0580000             -0.01124816       
 16    114.6350000             -0.01419067       
 17     61.7623000             -0.007119783      
 18     33.6924000              0.01964233       
 19     18.5315000              0.06866033       
 20     10.2144000              0.08451691       
 21      5.5942800             -0.002558593      
 22      3.0096800             -0.1246873        
 23      1.5668400             -0.1981732        
 24      0.7814370             -0.1626983        
 25      0.2581180              0.1212677        
 26      0.1385560              0.4147624        
 27      0.0661710              0.4840872        
S   27
  1      1.87413E+08            6.708866E-09     
  2      3.35127E+07            4.41662E-08      
  3      7.50475E+06            2.575365E-07     
  4      2.01787E+06            1.154012E-06     
  5 628578.0000000              4.513571E-06     
  6 220163.0000000              1.483194E-05     
  7  84595.2000000              4.621034E-05     
  8  34955.5000000              0.0001252604     
  9  15290.3000000              0.0003431994     
 10   6994.9300000              0.000820361      
 11   3316.5900000              0.002066898      
 12   1619.2400000              0.004419789      
 13    810.3430000              0.01011367       
 14    414.3930000              0.01809426       
 15    216.0580000              0.03416662       
 16    114.6350000              0.03593265       
 17     61.7623000              0.03074112       
 18     33.6924000             -0.07752629       
 19     18.5315000             -0.1679194        
 20     10.2144000             -0.3562499        
 21      5.5942800              0.1776982        
 22      3.0096800              0.4749129        
 23      1.5668400              0.8521909        
 24      0.7814370             -0.7724873        
 25      0.2581180             -1.4319140        
 26      0.1385560              0.4991946        
 27      0.0661710              0.5499585        
S   27
  1      1.87413E+08           -9.317884E-09     
  2      3.35127E+07           -6.155607E-08     
  3      7.50475E+06           -3.573416E-07     
  4      2.01787E+06           -1.609881E-06     
  5 628578.0000000             -6.255093E-06     
  6 220163.0000000             -2.072444E-05     
  7  84595.2000000             -6.392044E-05     
  8  34955.5000000             -0.0001754269     
  9  15290.3000000             -0.0004736661     
 10   6994.9300000             -0.001152085      
 11   3316.5900000             -0.002846504      
 12   1619.2400000             -0.006230027      
 13    810.3430000             -0.01389848       
 14    414.3930000             -0.02572496       
 15    216.0580000             -0.04674972       
 16    114.6350000             -0.05304136       
 17     61.7623000             -0.03846676       
 18     33.6924000              0.09700309       
 19     18.5315000              0.2750132        
 20     10.2144000              0.6149135        
 21      5.5942800             -0.4648242        
 22      3.0096800             -1.4688170        
 23      1.5668400             -0.06123386       
 24      0.7814370              2.5333260        
 25      0.2581180             -1.4838310        
 26      0.1385560             -0.9440243        
 27      0.0661710              0.9934343        
S   27
  1      1.87413E+08            1.206066E-08     
  2      3.35127E+07            8.110169E-08     
  3      7.50475E+06            4.60205E-07      
  4      2.01787E+06            2.130959E-06     
  5 628578.0000000              8.004527E-06     
  6 220163.0000000              2.765382E-05     
  7  84595.2000000              8.09931E-05      
  8  34955.5000000              0.000236727      
  9  15290.3000000              0.0005928609     
 10   6994.9300000              0.001574959      
 11   3316.5900000              0.003517111      
 12   1619.2400000              0.008651605      
 13    810.3430000              0.01689628       
 14    414.3930000              0.03686833       
 15    216.0580000              0.05445003       
 16    114.6350000              0.08690671       
 17     61.7623000              0.01740443       
 18     33.6924000             -0.05212573       
 19     18.5315000             -0.5511726        
 20     10.2144000             -1.1543500        
 21      5.5942800              2.1468370        
 22      3.0096800              2.4632420        
 23      1.5668400             -6.0927930        
 24      0.7814370              3.2604830        
 25      0.2581180              2.0784120        
 26      0.1385560             -4.0424470        
 27      0.0661710              1.7426680        
S   27
  1      1.87413E+08            1.288013E-08     
  2      3.35127E+07            7.963494E-08     
  3      7.50475E+06            5.028311E-07     
  4      2.01787E+06            2.04487E-06      
  5 628578.0000000              8.997462E-06     
  6 220163.0000000              2.548089E-05     
  7  84595.2000000              9.502563E-05     
  8  34955.5000000              0.000205759      
  9  15290.3000000              0.000732222      
 10   6994.9300000              0.001279062      
 11   3316.5900000              0.004583798      
 12   1619.2400000              0.006488435      
 13    810.3430000              0.02369604       
 14    414.3930000              0.02360841       
 15    216.0580000              0.09186954       
 16    114.6350000              0.01584593       
 17     61.7623000              0.1832209        
 18     33.6924000             -0.3620858        
 19     18.5315000             -0.2562035        
 20     10.2144000             -2.6784160        
 21      5.5942800              8.3186980        
 22      3.0096800             -7.7549970        
 23      1.5668400              0.5798922        
 24      0.7814370              4.4806790        
 25      0.2581180             -7.9856680        
 26      0.1385560              7.9331330        
 27      0.0661710             -2.6833390        
S   1
  1      0.0309860              1.0000000        
P   19
  1 110349.0000000              0.0000030        
  2  26971.3000000              0.0000250        
  3   8560.0700000              0.0001540        
  4   3248.8000000              0.0007110        
  5   1389.4100000              0.0027260        
  6    643.0430000              0.0090780        
  7    314.0050000              0.0266470        
  8    159.4890000              0.0683490        
  9     83.6662000              0.1462290        
 10     45.1574000              0.2463660        
 11     24.9630000              0.3093570        
 12     14.0043000              0.2518340        
 13      7.8326700              0.1075770        
 14      4.2841000              0.0186230        
 15      2.2890100              0.0018400        
 16      1.1943600              0.0005260        
 17      0.5942580              0.0001340        
 18      0.2269140              0.0000180        
 19      0.0901790             -0.0000030        
P   19
  1 110349.0000000             -0.0000010        
  2  26971.3000000             -0.0000090        
  3   8560.0700000             -0.0000570        
  4   3248.8000000             -0.0002660        
  5   1389.4100000             -0.0010230        
  6    643.0430000             -0.0034260        
  7    314.0050000             -0.0101780        
  8    159.4890000             -0.0266840        
  9     83.6662000             -0.0590440        
 10     45.1574000             -0.1036450        
 11     24.9630000             -0.1371860        
 12     14.0043000             -0.0980300        
 13      7.8326700              0.0782840        
 14      4.2841000              0.3068960        
 15      2.2890100              0.4020910        
 16      1.1943600              0.2839960        
 17      0.5942580              0.0869280        
 18      0.2269140              0.0058540        
 19      0.0901790             -0.0000370        
P   18
  1  26971.3000000              0.0000020        
  2   8560.0700000              0.0000110        
  3   3248.8000000              0.0000490        
  4   1389.4100000              0.0001900        
  5    643.0430000              0.0006280        
  6    314.0050000              0.0018980        
  7    159.4890000              0.0049050        
  8     83.6662000              0.0110910        
  9     45.1574000              0.0191100        
 10     24.9630000              0.0264040        
 11     14.0043000              0.0170480        
 12      7.8326700             -0.0167770        
 13      4.2841000             -0.0722810        
 14      2.2890100             -0.0888340        
 15      1.1943600             -0.0855010        
 16      0.5942580              0.0514770        
 17      0.2269140              0.3482630        
 18      0.0901790              0.5207130        
P   18
  1  26971.3000000              0.0000030        
  2   8560.0700000              0.0000190        
  3   3248.8000000              0.0000840        
  4   1389.4100000              0.0003350        
  5    643.0430000              0.0010780        
  6    314.0050000              0.0033420        
  7    159.4890000              0.0084110        
  8     83.6662000              0.0195690        
  9     45.1574000              0.0325670        
 10     24.9630000              0.0477820        
 11     14.0043000              0.0279570        
 12      7.8326700             -0.0245300        
 13      4.2841000             -0.1464900        
 14      2.2890100             -0.1492570        
 15      1.1943600             -0.1363180        
 16      0.5942580              0.1989520        
 17      0.2269140              0.6520570        
 18      0.0901790              0.3101190        
P   19
  1 110349.0000000             -0.0000010        
  2  26971.3000000             -0.0000070        
  3   8560.0700000             -0.0000440        
  4   3248.8000000             -0.0001870        
  5   1389.4100000             -0.0007860        
  6    643.0430000             -0.0024190        
  7    314.0050000             -0.0078320        
  8    159.4890000             -0.0188920        
  9     83.6662000             -0.0460950        
 10     45.1574000             -0.0721870        
 11     24.9630000             -0.1187060        
 12     14.0043000             -0.0688450        
 13      7.8326700              0.0612550        
 14      4.2841000              0.5482940        
 15      2.2890100              0.2972820        
 16      1.1943600             -0.2716010        
 17      0.5942580             -1.0379400        
 18      0.2269140              0.2883290        
 19      0.0901790              0.5829240        
P   19
  1 110349.0000000              0.0000010        
  2  26971.3000000              0.0000090        
  3   8560.0700000              0.0000470        
  4   3248.8000000              0.0002580        
  5   1389.4100000              0.0008400        
  6    643.0430000              0.0033290        
  7    314.0050000              0.0084050        
  8    159.4890000              0.0262100        
  9     83.6662000              0.0483260        
 10     45.1574000              0.1064260        
 11     24.9630000              0.1112430        
 12     14.0043000              0.2196340        
 13      7.8326700             -0.3785060        
 14      4.2841000             -0.8342830        
 15      2.2890100              0.0346510        
 16      1.1943600              1.9667590        
 17      0.5942580             -1.2248450        
 18      0.2269140             -0.7377320        
 19      0.0901790              0.9916440        
P   19
  1 110349.0000000              0.0000010        
  2  26971.3000000              0.0000110        
  3   8560.0700000              0.0000750        
  4   3248.8000000              0.0003070        
  5   1389.4100000              0.0013430        
  6    643.0430000              0.0039790        
  7    314.0050000              0.0135080        
  8    159.4890000              0.0315180        
  9     83.6662000              0.0812240        
 10     45.1574000              0.1177440        
 11     24.9630000              0.2545370        
 12     14.0043000              0.2804660        
 13      7.8326700             -1.3817560        
 14      4.2841000             -0.5845020        
 15      2.2890100              2.8319550        
 16      1.1943600             -1.4030820        
 17      0.5942580             -1.0866400        
 18      0.2269140              1.8537790        
 19      0.0901790             -1.1119850        
P   1
  1      0.0357180              1.0000000        
D   11
  1    854.1223000              0.0001100        
  2    257.9496000              0.0010600        
  3    100.2319000              0.0061270        
  4     44.1762100              0.0242270        
  5     20.7847600              0.0705680        
  6     10.2275600              0.1554220        
  7      5.1512410              0.2464650        
  8      2.5908470              0.2908540        
  9      1.2858010              0.2696230        
 10      0.6253440              0.1932020        
 11      0.2939430              0.0928240        
D   11
  1    854.1223000              0.0001540        
  2    257.9496000              0.0014840        
  3    100.2319000              0.0086150        
  4     44.1762100              0.0343280        
  5     20.7847600              0.1026560        
  6     10.2275600              0.2346230        
  7      5.1512410              0.3308580        
  8      2.5908470              0.1664140        
  9      1.2858010             -0.2191500        
 10      0.6253440             -0.4171790        
 11      0.2939430             -0.2879880        
D   11
  1    854.1223000              0.0001680        
  2    257.9496000              0.0016860        
  3    100.2319000              0.0095520        
  4     44.1762100              0.0391690        
  5     20.7847600              0.1185400        
  6     10.2275600              0.3060170        
  7      5.1512410              0.2800330        
  8      2.5908470             -0.3570440        
  9      1.2858010             -0.5566930        
 10      0.6253440             -0.0034070        
 11      0.2939430              0.5550480        
D   11
  1    854.1223000              0.0002020        
  2    257.9496000              0.0022920        
  3    100.2319000              0.0119480        
  4     44.1762100              0.0534890        
  5     20.7847600              0.1599570        
  6     10.2275600              0.4633290        
  7      5.1512410              0.0018920        
  8      2.5908470             -0.9592480        
  9      1.2858010              0.1085530        
 10      0.6253440              0.9818850        
 11      0.2939430             -0.3019870        
D   11
  1    854.1223000             -0.0003210        
  2    257.9496000             -0.0028130        
  3    100.2319000             -0.0180280        
  4     44.1762100             -0.0679850        
  5     20.7847600             -0.2814680        
  6     10.2275600             -0.6396470        
  7      5.1512410              1.0829690        
  8      2.5908470              0.4414690        
  9      1.2858010             -1.6892300        
 10      0.6253440              0.9011120        
 11      0.2939430              0.6121440        
D   1
  1      0.1289970              1.0000000        
F   1
  1     12.1669000              1.0000000        
F   1
  1      4.3915000              1.0000000        
F   1
  1      1.5850000              1.0000000        
F   1
  1      0.5721000              1.0000000        
G   1
  1      9.6299000              1.0000000        
G   1
  1      3.3924000              1.0000000        
G   1
  1      1.1951000              1.0000000        
H   1
  1      7.4738000              1.0000000        
H   1
  1      2.4250000              1.0000000        
I   1
  1      5.5487000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: H
data:
HYDROGEN
S   4
  1    402.0000000              0.0002836        
  2     60.2400000              0.0021692        
  3     13.7300000              0.0112082        
  4      3.9050000              0.0448854        
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      4.5160000              1.0000000        
P   1
  1      1.7120000              1.0000000        
P   1
  1      0.6490000              1.0000000        
P   1
  1      0.2460000              1.0000000        
D   1
  1      2.9500000              1.0000000        
D   1
  1      1.2060000              1.0000000        
D   1
  1      0.4930000              1.0000000        
F   1
  1      2.5060000              1.0000000        
F   1
  1      0.8750000              1.0000000        
G   1
  1      2.3580000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: He
data:
HELIUM
S   4
  1   1145.0000000              0.0003739        
  2    171.7000000              0.0027855        
  3     39.0700000              0.0142748        
  4     11.0400000              0.0555936        
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        
P   1
  1     10.1530000              1.0000000        
P   1
  1      3.6270000              1.0000000        
P   1
  1      1.2960000              1.0000000        
P   1
  1      0.4630000              1.0000000        
D   1
  1      7.6660000              1.0000000        
D   1
  1      2.6470000              1.0000000        
D   1
  1      0.9140000              1.0000000        
F   1
  1      5.4110000              1.0000000        
F   1
  1      1.7070000              1.0000000        
G   1
  1      3.4300000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Li
data:
LITHIUM
S   10
  1  29493.0000000              0.0000308        
  2   4417.1010000              0.0001585        
  3   1005.2230000              0.0007631        
  4    284.7009000              0.0031385        
  5     92.8654300              0.0111780        
  6     33.5117900              0.0347254        
  7     13.0418000              0.0922281        
  8      5.3575360              0.1996078        
  9      2.2793380              0.3288176        
 10      0.9939900              0.3459155        
S   10
  1  29493.0000000             -0.0000048        
  2   4417.1010000             -0.0000248        
  3   1005.2230000             -0.0001191        
  4    284.7009000             -0.0004923        
  5     92.8654300             -0.0017532        
  6     33.5117900             -0.0055299        
  7     13.0418000             -0.0149394        
  8      5.3575360             -0.0342193        
  9      2.2793380             -0.0621550        
 10      0.9939900             -0.0959173        
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        
P   3
  1     11.2500000              0.0013145        
  2      2.5000000              0.0099188        
  3      0.6500000              0.0375383        
P   1
  1      0.2500000              1.0000000        
P   1
  1      0.1000000              1.0000000        
P   1
  1      0.0390000              1.0000000        
P   1
  1      0.0170000              1.0000000        
D   1
  1      0.5500000              1.0000000        
D   1
  1      0.2900000              1.0000000        
D   1
  1      0.1400000              1.0000000        
D   1
  1      0.0610000              1.0000000        
F   1
  1      0.3500000              1.0000000        
F   1
  1      0.2200000              1.0000000        
F   1
  1      0.1100000              1.0000000        
G   1
  1      0.3200000              1.0000000        
G   1
  1      0.1600000              1.0000000        
H   1
  1      0.3200000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Be
data:
BERYLLIUM
S   10
  1  54620.0000000              0.0000368        
  2   8180.0000000              0.0001689        
  3   1862.0000000              0.0007659        
  4    527.3000000              0.0030956        
  5    172.0000000              0.0109871        
  6     62.1000000              0.0341375        
  7     24.2100000              0.0913020        
  8      9.9930000              0.1993370        
  9      4.3050000              0.3293238        
 10      1.9210000              0.3403756        
S   10
  1  54620.0000000             -0.0000067        
  2   8180.0000000             -0.0000309        
  3   1862.0000000             -0.0001392        
  4    527.3000000             -0.0005685        
  5    172.0000000             -0.0020037        
  6     62.1000000             -0.0063922        
  7     24.2100000             -0.0172438        
  8      9.9930000             -0.0408891        
  9      4.3050000             -0.0742441        
 10      1.9210000             -0.1192494        
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        
P   4
  1     43.7500000              0.0006379        
  2     10.3300000              0.0048129        
  3      3.2260000              0.0205437        
  4      1.1270000              0.0677937        
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        
D   1
  1      1.6350000              1.0000000        
D   1
  1      0.7410000              1.0000000        
D   1
  1      0.3350000              1.0000000        
D   1
  1      0.1519000              1.0000000        
F   1
  1      0.6860000              1.0000000        
F   1
  1      0.4010000              1.0000000        
F   1
  1      0.2350000              1.0000000        
G   1
  1      0.6030000              1.0000000        
G   1
  1      0.3240000              1.0000000        
H   1
  1      0.5100000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: B
data:
BORON
S   10
  1  68260.0000000              0.0000537        
  2  10230.0000000              0.0002368        
  3   2328.0000000              0.0010435        
  4    660.4000000              0.0041536        
  5    216.2000000              0.0145345        
  6     78.6000000              0.0440738        
  7     30.9800000              0.1132317        
  8     12.9600000              0.2339126        
  9      5.6590000              0.3538666        
 10      2.5560000              0.3013336        
S   10
  1  68260.0000000             -0.0000108        
  2  10230.0000000             -0.0000479        
  3   2328.0000000             -0.0002105        
  4    660.4000000             -0.0008445        
  5    216.2000000             -0.0029525        
  6     78.6000000             -0.0091801        
  7     30.9800000             -0.0241582        
  8     12.9600000             -0.0548104        
  9      5.6590000             -0.0969649        
 10      2.5560000             -0.1374497        
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        
P   4
  1     66.4400000              0.0008470        
  2     15.7100000              0.0064213        
  3      4.9360000              0.0280951        
  4      1.7700000              0.0921533        
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        
D   1
  1      2.0100000              1.0000000        
D   1
  1      0.7960000              1.0000000        
D   1
  1      0.3160000              1.0000000        
D   1
  1      0.1250000              1.0000000        
F   1
  1      1.2150000              1.0000000        
F   1
  1      0.5250000              1.0000000        
F   1
  1      0.2270000              1.0000000        
G   1
  1      1.1240000              1.0000000        
G   1
  1      0.4610000              1.0000000        
H   1
  1      0.8340000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: C
data:
CARBON
S   10
  1  96770.0000000              0.0000632        
  2  14500.0000000              0.0002632        
  3   3300.0000000              0.0011075        
  4    935.8000000              0.0043269        
  5    306.2000000              0.0150594        
  6    111.3000000              0.0455571        
  7     43.9000000              0.1167649        
  8     18.4000000              0.2403782        
  9      8.0540000              0.3586480        
 10      3.6370000              0.2936178        
S   10
  1  96770.0000000             -0.0000135        
  2  14500.0000000             -0.0000562        
  3   3300.0000000             -0.0002360        
  4    935.8000000             -0.0009284        
  5    306.2000000             -0.0032339        
  6    111.3000000             -0.0100282        
  7     43.9000000             -0.0264616        
  8     18.4000000             -0.0600921        
  9      8.0540000             -0.1068653        
 10      3.6370000             -0.1440792        
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        
P   4
  1    101.8000000              0.0009056        
  2     24.0400000              0.0069992        
  3      7.5710000              0.0317022        
  4      2.7320000              0.1040291        
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        
D   1
  1      3.1340000              1.0000000        
D   1
  1      1.2330000              1.0000000        
D   1
  1      0.4850000              1.0000000        
D   1
  1      0.1910000              1.0000000        
F   1
  1      2.0060000              1.0000000        
F   1
  1      0.8380000              1.0000000        
F   1
  1      0.3500000              1.0000000        
G   1
  1      1.7530000              1.0000000        
G   1
  1      0.6780000              1.0000000        
H   1
  1      1.2590000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: N
data:
NITROGEN
S   10
  1 129200.0000000              0.0000735        
  2  19350.0000000              0.0002922        
  3   4404.0000000              0.0011810        
  4   1248.0000000              0.0045238        
  5    408.0000000              0.0156583        
  6    148.2000000              0.0472237        
  7     58.5000000              0.1204792        
  8     24.5900000              0.2458705        
  9     10.8100000              0.3611534        
 10      4.8820000              0.2868296        
S   10
  1 129200.0000000             -0.0000162        
  2  19350.0000000             -0.0000645        
  3   4404.0000000             -0.0002605        
  4   1248.0000000             -0.0010041        
  5    408.0000000             -0.0034840        
  6    148.2000000             -0.0107657        
  7     58.5000000             -0.0284074        
  8     24.5900000             -0.0641548        
  9     10.8100000             -0.1139907        
 10      4.8820000             -0.1468330        
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        
P   4
  1    147.0000000              0.0009130        
  2     34.7600000              0.0071180        
  3     11.0000000              0.0328740        
  4      3.9950000              0.1082582        
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        
D   1
  1      4.6470000              1.0000000        
D   1
  1      1.8130000              1.0000000        
D   1
  1      0.7070000              1.0000000        
D   1
  1      0.2760000              1.0000000        
F   1
  1      2.9420000              1.0000000        
F   1
  1      1.2040000              1.0000000        
F   1
  1      0.4930000              1.0000000        
G   1
  1      2.5110000              1.0000000        
G   1
  1      0.9420000              1.0000000        
H   1
  1      1.7680000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: O
data:
OXYGEN
S   10
  1 164200.0000000              0.0000847        
  2  24590.0000000              0.0003254        
  3   5592.0000000              0.0012721        
  4   1582.0000000              0.0047875        
  5    516.1000000              0.0164789        
  6    187.2000000              0.0495613        
  7     73.9300000              0.1253375        
  8     31.2200000              0.2519061        
  9     13.8100000              0.3620957        
 10      6.2560000              0.2784501        
S   10
  1 164200.0000000             -0.0000192        
  2  24590.0000000             -0.0000740        
  3   5592.0000000             -0.0002892        
  4   1582.0000000             -0.0010942        
  5    516.1000000             -0.0037817        
  6    187.2000000             -0.0116510        
  7     73.9300000             -0.0306158        
  8     31.2200000             -0.0683335        
  9     13.8100000             -0.1204494        
 10      6.2560000             -0.1479838        
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        
P   4
  1    195.5000000              0.0009467        
  2     46.1600000              0.0074404        
  3     14.5800000              0.0350458        
  4      5.2960000              0.1155141        
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        
D   1
  1      5.8790000              1.0000000        
D   1
  1      2.3070000              1.0000000        
D   1
  1      0.9050000              1.0000000        
D   1
  1      0.3550000              1.0000000        
F   1
  1      4.0160000              1.0000000        
F   1
  1      1.5540000              1.0000000        
F   1
  1      0.6010000              1.0000000        
G   1
  1      3.3500000              1.0000000        
G   1
  1      1.1890000              1.0000000        
H   1
  1      2.3190000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: F
data:
FLUORINE
S   10
  1 211400.0000000              0.0000930        
  2  31660.0000000              0.0003455        
  3   7202.0000000              0.0013010        
  4   2040.0000000              0.0047689        
  5    666.4000000              0.0162341        
  6    242.0000000              0.0487165        
  7     95.5300000              0.1238528        
  8     40.2300000              0.2518163        
  9     17.7200000              0.3641114        
 10      8.0050000              0.2789899        
S   10
  1 211400.0000000             -0.0000216        
  2  31660.0000000             -0.0000802        
  3   7202.0000000             -0.0003019        
  4   2040.0000000             -0.0011126        
  5    666.4000000             -0.0038036        
  6    242.0000000             -0.0116901        
  7     95.5300000             -0.0309010        
  8     40.2300000             -0.0698228        
  9     17.7200000             -0.1241027        
 10      8.0050000             -0.1498326        
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        
P   4
  1    241.9000000              0.0010403        
  2     57.1700000              0.0081268        
  3     18.1300000              0.0381727        
  4      6.6240000              0.1238970        
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        
D   1
  1      7.7600000              1.0000000        
D   1
  1      3.0320000              1.0000000        
D   1
  1      1.1850000              1.0000000        
D   1
  1      0.4630000              1.0000000        
F   1
  1      5.3980000              1.0000000        
F   1
  1      2.0780000              1.0000000        
F   1
  1      0.8000000              1.0000000        
G   1
  1      4.3380000              1.0000000        
G   1
  1      1.5130000              1.0000000        
H   1
  1      2.9950000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ne
data:
NEON
S   10
  1 262700.0000000              0.0001022        
  2  39350.0000000              0.0003692        
  3   8955.0000000              0.0013479        
  4   2538.0000000              0.0048167        
  5    829.9000000              0.0162272        
  6    301.5000000              0.0485086        
  7    119.0000000              0.1237207        
  8     50.0000000              0.2528620        
  9     21.9800000              0.3657906        
 10      9.8910000              0.2786426        
S   10
  1 262700.0000000             -0.0000241        
  2  39350.0000000             -0.0000870        
  3   8955.0000000             -0.0003177        
  4   2538.0000000             -0.0011407        
  5    829.9000000             -0.0038624        
  6    301.5000000             -0.0118165        
  7    119.0000000             -0.0313900        
  8     50.0000000             -0.0712957        
  9     21.9800000             -0.1274079        
 10      9.8910000             -0.1507104        
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        
P   4
  1    299.1000000              0.0010879        
  2     70.7300000              0.0084708        
  3     22.4800000              0.0398612        
  4      8.2460000              0.1282151        
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        
D   1
  1      9.8370000              1.0000000        
D   1
  1      3.8440000              1.0000000        
D   1
  1      1.5020000              1.0000000        
D   1
  1      0.5870000              1.0000000        
F   1
  1      7.0900000              1.0000000        
F   1
  1      2.7380000              1.0000000        
F   1
  1      1.0570000              1.0000000        
G   1
  1      5.4600000              1.0000000        
G   1
  1      1.8800000              1.0000000        
H   1
  1      3.7760000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Na
data:
SODIUM
S   15
  1 1224000.0000000             0.0000384        
  2 183200.0000000              0.0001214        
  3  41700.0000000              0.0003735        
  4  11810.0000000              0.0011226        
  5   3853.0000000              0.0034243        
  6   1391.0000000              0.0102715        
  7    542.5000000              0.0289918        
  8    224.9000000              0.0741036        
  9     97.9300000              0.1636649        
 10     44.3100000              0.2887998        
 11     20.6500000              0.3459070        
 12      9.7290000              0.2058713        
 13      4.2280000              0.0325950        
 14      1.9690000             -0.0006392        
 15      0.8890000              0.0014474        
S   15
  1 1224000.0000000            -0.0000094        
  2 183200.0000000             -0.0000297        
  3  41700.0000000             -0.0000916        
  4  11810.0000000             -0.0002753        
  5   3853.0000000             -0.0008427        
  6   1391.0000000             -0.0025382        
  7    542.5000000             -0.0072706        
  8    224.9000000             -0.0190949        
  9     97.9300000             -0.0450056        
 10     44.3100000             -0.0901063        
 11     20.6500000             -0.1429400        
 12      9.7290000             -0.1232733        
 13      4.2280000              0.1016495        
 14      1.9690000              0.4178921        
 15      0.8890000              0.4740231        
S   15
  1 1224000.0000000             0.0000014        
  2 183200.0000000              0.0000045        
  3  41700.0000000              0.0000138        
  4  11810.0000000              0.0000414        
  5   3853.0000000              0.0001269        
  6   1391.0000000              0.0003813        
  7    542.5000000              0.0010962        
  8    224.9000000              0.0028743        
  9     97.9300000              0.0068266        
 10     44.3100000              0.0137060        
 11     20.6500000              0.0222733        
 12      9.7290000              0.0194615        
 13      4.2280000             -0.0171479        
 14      1.9690000             -0.0774282        
 15      0.8890000             -0.1139147        
S   1
  1      0.3964000              1.0000000        
S   1
  1      0.0699300              1.0000000        
S   1
  1      0.0328900              1.0000000        
S   1
  1      0.0161200              1.0000000        
P   8
  1    413.4000000              0.0009678        
  2     97.9800000              0.0075358        
  3     31.3700000              0.0359650        
  4     11.6200000              0.1187550        
  5      4.6710000              0.2614638        
  6      1.9180000              0.3782233        
  7      0.7775000              0.3344927        
  8      0.3013000              0.1267953        
P   8
  1    413.4000000             -0.0000961        
  2     97.9800000             -0.0007513        
  3     31.3700000             -0.0035957        
  4     11.6200000             -0.0120397        
  5      4.6710000             -0.0267252        
  6      1.9180000             -0.0392593        
  7      0.7775000             -0.0375978        
  8      0.3013000             -0.0433062        
P   1
  1      0.2275000              1.0000000        
P   1
  1      0.0752700              1.0000000        
P   1
  1      0.0312600              1.0000000        
P   1
  1      0.0134200              1.0000000        
D   1
  1      0.2734000              1.0000000        
D   1
  1      0.1538000              1.0000000        
D   1
  1      0.0865000              1.0000000        
D   1
  1      0.0487000              1.0000000        
F   1
  1      0.4000000              1.0000000        
F   1
  1      0.1912000              1.0000000        
F   1
  1      0.1036000              1.0000000        
G   1
  1      0.4250000              1.0000000        
G   1
  1      0.1722000              1.0000000        
H   1
  1      0.2000000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Mg
data:
MAGNESIUM
S   16
  1 2968000.0000000             0.0000243        
  2 444300.0000000              0.0000735        
  3 101100.0000000              0.0002116        
  4  28640.0000000              0.0005811        
  5   9343.0000000              0.0016179        
  6   3373.0000000              0.0045591        
  7   1316.0000000              0.0126719        
  8    545.8000000              0.0333255        
  9    238.1000000              0.0799656        
 10    108.2000000              0.1674148        
 11     50.8000000              0.2829195        
 12     24.4800000              0.3308149        
 13     11.9300000              0.2021286        
 14      5.5430000              0.0380060        
 15      2.6750000              0.0003102        
 16      1.2630000              0.0013785        
S   16
  1 2968000.0000000            -0.0000062        
  2 444300.0000000             -0.0000186        
  3 101100.0000000             -0.0000537        
  4  28640.0000000             -0.0001475        
  5   9343.0000000             -0.0004112        
  6   3373.0000000             -0.0011629        
  7   1316.0000000             -0.0032514        
  8    545.8000000             -0.0086888        
  9    238.1000000             -0.0215021        
 10    108.2000000             -0.0481534        
 11     50.8000000             -0.0928013        
 12     24.4800000             -0.1424998        
 13     11.9300000             -0.1249855        
 14      5.5430000              0.0735193        
 15      2.6750000              0.3841734        
 16      1.2630000              0.4890944        
S   16
  1 2968000.0000000             0.0000012        
  2 444300.0000000              0.0000036        
  3 101100.0000000              0.0000103        
  4  28640.0000000              0.0000284        
  5   9343.0000000              0.0000793        
  6   3373.0000000              0.0002238        
  7   1316.0000000              0.0006283        
  8    545.8000000              0.0016728        
  9    238.1000000              0.0041728        
 10    108.2000000              0.0093189        
 11     50.8000000              0.0183032        
 12     24.4800000              0.0282619        
 13     11.9300000              0.0262983        
 14      5.5430000             -0.0177707        
 15      2.6750000             -0.0887568        
 16      1.2630000             -0.1643819        
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        
P   10
  1   1441.0000000              0.0001832        
  2    341.4000000              0.0013930        
  3    110.7000000              0.0073620        
  4     41.9700000              0.0287478        
  5     17.4900000              0.0868321        
  6      7.7530000              0.1951182        
  7      3.5340000              0.3119784        
  8      1.6140000              0.3482324        
  9      0.7299000              0.2187540        
 10      0.3029000              0.0435835        
P   10
  1   1441.0000000              0.0000289        
  2    341.4000000              0.0002204        
  3    110.7000000              0.0011644        
  4     41.9700000              0.0045851        
  5     17.4900000              0.0139642        
  6      7.7530000              0.0320203        
  7      3.5340000              0.0514466        
  8      1.6140000              0.0610676        
  9      0.7299000              0.0442817        
 10      0.3029000             -0.0518464        
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        
D   1
  1      0.1100000              1.0000000        
D   1
  1      0.2420000              1.0000000        
D   1
  1      0.5320000              1.0000000        
D   1
  1      1.1710000              1.0000000        
F   1
  1      0.1550000              1.0000000        
F   1
  1      0.2640000              1.0000000        
F   1
  1      0.4480000              1.0000000        
G   1
  1      0.2400000              1.0000000        
G   1
  1      0.4440000              1.0000000        
H   1
  1      0.3750000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   16
  1 3269000.0000000             0.0000279        
  2 489400.0000000              0.0000839        
  3 111400.0000000              0.0002399        
  4  31560.0000000              0.0006513        
  5  10320.0000000              0.0017858        
  6   3731.0000000              0.0049799        
  7   1456.0000000              0.0137300        
  8    604.1000000              0.0359019        
  9    263.5000000              0.0855782        
 10    119.8000000              0.1768599        
 11     56.3200000              0.2920412        
 12     27.1900000              0.3268686        
 13     13.2600000              0.1856290        
 14      6.0520000              0.0307664        
 15      2.9810000             -0.0005007        
 16      1.4760000              0.0014759        
S   16
  1 3269000.0000000            -0.0000073        
  2 489400.0000000             -0.0000219        
  3 111400.0000000             -0.0000626        
  4  31560.0000000             -0.0001702        
  5  10320.0000000             -0.0004672        
  6   3731.0000000             -0.0013087        
  7   1456.0000000             -0.0036284        
  8    604.1000000             -0.0096625        
  9    263.5000000             -0.0237777        
 10    119.8000000             -0.0529214        
 11     56.3200000             -0.1003964        
 12     27.1900000             -0.1504104        
 13     13.2600000             -0.1174918        
 14      6.0520000              0.1105978        
 15      2.9810000              0.4121342        
 16      1.4760000              0.4557585        
S   16
  1 3269000.0000000             0.0000017        
  2 489400.0000000              0.0000051        
  3 111400.0000000              0.0000145        
  4  31560.0000000              0.0000393        
  5  10320.0000000              0.0001080        
  6   3731.0000000              0.0003019        
  7   1456.0000000              0.0008402        
  8    604.1000000              0.0022314        
  9    263.5000000              0.0055325        
 10    119.8000000              0.0123043        
 11     56.3200000              0.0238004        
 12     27.1900000              0.0360536        
 13     13.2600000              0.0299391        
 14      6.0520000             -0.0317138        
 15      2.9810000             -0.1194780        
 16      1.4760000             -0.2115977        
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        
P   8
  1   1461.0000000              0.0002520        
  2    346.2000000              0.0019027        
  3    112.2000000              0.0099353        
  4     42.5100000              0.0381437        
  5     17.7200000              0.1112827        
  6      7.8520000              0.2344609        
  7      3.5710000              0.3450972        
  8      1.6370000              0.3310962        
P   8
  1   1461.0000000             -0.0000450        
  2    346.2000000             -0.0003450        
  3    112.2000000             -0.0017778        
  4     42.5100000             -0.0070014        
  5     17.7200000             -0.0203367        
  6      7.8520000             -0.0448542        
  7      3.5710000             -0.0642344        
  8      1.6370000             -0.0751187        
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        
D   1
  1      1.3170000              1.0000000        
D   1
  1      0.5260000              1.0000000        
D   1
  1      0.2100000              1.0000000        
D   1
  1      0.0840000              1.0000000        
F   1
  1      0.1300000              1.0000000        
F   1
  1      0.2580000              1.0000000        
F   1
  1      0.5130000              1.0000000        
G   1
  1      0.2520000              1.0000000        
G   1
  1      0.5430000              1.0000000        
H   1
  1      0.4460000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Si
data:
SILICON
S   16
  1 3948000.0000000             0.0000294        
  2 591100.0000000              0.0000878        
  3 134500.0000000              0.0002479        
  4  38120.0000000              0.0006613        
  5  12460.0000000              0.0017789        
  6   4504.0000000              0.0048649        
  7   1758.0000000              0.0132602        
  8    729.1000000              0.0345542        
  9    318.0000000              0.0824097        
 10    144.6000000              0.1714365        
 11     67.9700000              0.2869010        
 12     32.8200000              0.3288159        
 13     16.0300000              0.1950359        
 14      7.3960000              0.0350821        
 15      3.6610000             -0.0005172        
 16      1.8230000              0.0015899        
S   16
  1 3948000.0000000            -0.0000079        
  2 591100.0000000             -0.0000235        
  3 134500.0000000             -0.0000663        
  4  38120.0000000             -0.0001771        
  5  12460.0000000             -0.0004769        
  6   4504.0000000             -0.0013099        
  7   1758.0000000             -0.0035911        
  8    729.1000000             -0.0095231        
  9    318.0000000             -0.0234390        
 10    144.6000000             -0.0523952        
 11     67.9700000             -0.1004608        
 12     32.8200000             -0.1526095        
 13     16.0300000             -0.1256202        
 14      7.3960000              0.0976938        
 15      3.6610000              0.4153542        
 16      1.8230000              0.4661065        
S   16
  1 3948000.0000000             0.0000020        
  2 591100.0000000              0.0000060        
  3 134500.0000000              0.0000170        
  4  38120.0000000              0.0000454        
  5  12460.0000000              0.0001223        
  6   4504.0000000              0.0003354        
  7   1758.0000000              0.0009227        
  8    729.1000000              0.0024408        
  9    318.0000000              0.0060521        
 10    144.6000000              0.0135275        
 11     67.9700000              0.0264494        
 12     32.8200000              0.0407085        
 13     16.0300000              0.0356346        
 14      7.3960000             -0.0314431        
 15      3.6610000             -0.1365920        
 16      1.8230000             -0.2505096        
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        
P   8
  1   1780.0000000              0.0002517        
  2    421.8000000              0.0018584        
  3    136.7000000              0.0097210        
  4     51.8100000              0.0376181        
  5     21.6000000              0.1112485        
  6      9.5630000              0.2381666        
  7      4.3500000              0.3535235        
  8      2.0060000              0.3283908        
P   8
  1   1780.0000000             -0.0000535        
  2    421.8000000             -0.0004003        
  3    136.7000000             -0.0020734        
  4     51.8100000             -0.0082098        
  5     21.6000000             -0.0243246        
  6      9.5630000             -0.0543990        
  7      4.3500000             -0.0798067        
  8      2.0060000             -0.0886955        
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        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.3210000              1.0000000        
D   1
  1      0.8170000              1.0000000        
D   1
  1      2.0820000              1.0000000        
F   1
  1      0.1690000              1.0000000        
F   1
  1      0.3410000              1.0000000        
F   1
  1      0.6880000              1.0000000        
G   1
  1      0.3200000              1.0000000        
G   1
  1      0.7050000              1.0000000        
H   1
  1      0.5830000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: P
data:
PHOSPHOROUS
S   16
  1 4666000.0000000             0.0000312        
  2 698600.0000000              0.0000923        
  3 159000.0000000              0.0002580        
  4  45040.0000000              0.0006791        
  5  14720.0000000              0.0017930        
  6   5323.0000000              0.0048227        
  7   2076.0000000              0.0130048        
  8    861.1000000              0.0336699        
  9    375.7000000              0.0803050        
 10    170.8000000              0.1678076        
 11     80.2900000              0.2831302        
 12     38.7700000              0.3302241        
 13     18.9300000              0.2015027        
 14      8.7960000              0.0378599        
 15      4.3580000             -0.0003728        
 16      2.1740000              0.0015656        
S   16
  1 4666000.0000000            -0.0000085        
  2 698600.0000000             -0.0000252        
  3 159000.0000000             -0.0000704        
  4  45040.0000000             -0.0001857        
  5  14720.0000000             -0.0004908        
  6   5323.0000000             -0.0013258        
  7   2076.0000000             -0.0035962        
  8    861.1000000             -0.0094717        
  9    375.7000000             -0.0233063        
 10    170.8000000             -0.0522688        
 11     80.2900000             -0.1008524        
 12     38.7700000             -0.1549401        
 13     18.9300000             -0.1316378        
 14      8.7960000              0.0913914        
 15      4.3580000              0.4241997        
 16      2.1740000              0.4725749        
S   16
  1 4666000.0000000             0.0000023        
  2 698600.0000000              0.0000069        
  3 159000.0000000              0.0000194        
  4  45040.0000000              0.0000510        
  5  14720.0000000              0.0001350        
  6   5323.0000000              0.0003641        
  7   2076.0000000              0.0009907        
  8    861.1000000              0.0026049        
  9    375.7000000              0.0064524        
 10    170.8000000              0.0144890        
 11     80.2900000              0.0284834        
 12     38.7700000              0.0444807        
 13     18.9300000              0.0400713        
 14      8.7960000             -0.0315077        
 15      4.3580000             -0.1538392        
 16      2.1740000             -0.2825682        
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        
P   8
  1   2010.0000000              0.0002769        
  2    476.3000000              0.0020083        
  3    154.4000000              0.0104679        
  4     58.5100000              0.0404643        
  5     24.4000000              0.1191580        
  6     10.8000000              0.2520962        
  7      4.9130000              0.3663328        
  8      2.2690000              0.3156039        
P   8
  1   2010.0000000             -0.0000657        
  2    476.3000000             -0.0004800        
  3    154.4000000             -0.0024937        
  4     58.5100000             -0.0098133        
  5     24.4000000             -0.0292374        
  6     10.8000000             -0.0642077        
  7      4.9130000             -0.0943888        
  8      2.2690000             -0.0931728        
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        
D   1
  1      0.1660000              1.0000000        
D   1
  1      0.4180000              1.0000000        
D   1
  1      1.0540000              1.0000000        
D   1
  1      2.6560000              1.0000000        
F   1
  1      0.2190000              1.0000000        
F   1
  1      0.4500000              1.0000000        
F   1
  1      0.9230000              1.0000000        
G   1
  1      0.4120000              1.0000000        
G   1
  1      0.9030000              1.0000000        
H   1
  1      0.7450000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: S
data:
SULFUR
S   16
  1 5481000.0000000             0.0000328        
  2 820600.0000000              0.0000965        
  3 186700.0000000              0.0002674        
  4  52880.0000000              0.0006950        
  5  17250.0000000              0.0018131        
  6   6226.0000000              0.0047933        
  7   2429.0000000              0.0127678        
  8   1007.0000000              0.0328808        
  9    439.5000000              0.0783067        
 10    199.8000000              0.1642724        
 11     93.9200000              0.2795005        
 12     45.3400000              0.3312368        
 13     22.1500000              0.2076745        
 14     10.3400000              0.0410331        
 15      5.1190000             -0.0004359        
 16      2.5530000              0.0016591        
S   16
  1 5481000.0000000             0.0000091        
  2 820600.0000000              0.0000268        
  3 186700.0000000              0.0000743        
  4  52880.0000000              0.0001934        
  5  17250.0000000              0.0005053        
  6   6226.0000000              0.0013415        
  7   2429.0000000              0.0035955        
  8   1007.0000000              0.0094142        
  9    439.5000000              0.0231295        
 10    199.8000000              0.0519920        
 11     93.9200000              0.1010187        
 12     45.3400000              0.1566751        
 13     22.1500000              0.1372632        
 14     10.3400000             -0.0851826        
 15      5.1190000             -0.4328270        
 16      2.5530000             -0.4788203        
S   16
  1 5481000.0000000             0.0000026        
  2 820600.0000000              0.0000078        
  3 186700.0000000              0.0000216        
  4  52880.0000000              0.0000562        
  5  17250.0000000              0.0001468        
  6   6226.0000000              0.0003895        
  7   2429.0000000              0.0010464        
  8   1007.0000000              0.0027373        
  9    439.5000000              0.0067651        
 10    199.8000000              0.0152463        
 11     93.9200000              0.0301488        
 12     45.3400000              0.0476773        
 13     22.1500000              0.0441522        
 14     10.3400000             -0.0309087        
 15      5.1190000             -0.1702444        
 16      2.5530000             -0.3108554        
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        
P   8
  1   2200.0000000              0.0003132        
  2    521.4000000              0.0022396        
  3    169.0000000              0.0115966        
  4     64.0500000              0.0446575        
  5     26.7200000              0.1298826        
  6     11.8300000              0.2693947        
  7      5.3780000              0.3782728        
  8      2.4820000              0.2960663        
P   8
  1   2200.0000000             -0.0000798        
  2    521.4000000             -0.0005721        
  3    169.0000000             -0.0029722        
  4     64.0500000             -0.0115936        
  5     26.7200000             -0.0344637        
  6     11.8300000             -0.0736276        
  7      5.3780000             -0.1076276        
  8      2.4820000             -0.0875231        
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        
D   1
  1      0.2050000              1.0000000        
D   1
  1      0.5120000              1.0000000        
D   1
  1      1.2810000              1.0000000        
D   1
  1      3.2030000              1.0000000        
F   1
  1      0.2550000              1.0000000        
F   1
  1      0.5290000              1.0000000        
F   1
  1      1.0960000              1.0000000        
G   1
  1      0.4630000              1.0000000        
G   1
  1      1.0710000              1.0000000        
H   1
  1      0.8720000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   16
  1 6410000.0000000             0.0000344        
  2 959600.0000000              0.0001004        
  3 218300.0000000              0.0002758        
  4  61810.0000000              0.0007092        
  5  20140.0000000              0.0018228        
  6   7264.0000000              0.0047490        
  7   2832.0000000              0.0124754        
  8   1175.0000000              0.0319127        
  9    512.6000000              0.0760258        
 10    233.0000000              0.1600746        
 11    109.5000000              0.2750428        
 12     52.8600000              0.3319792        
 13     25.8400000              0.2150829        
 14     12.1700000              0.0450308        
 15      6.0300000             -0.0001290        
 16      3.0120000              0.0016129        
S   16
  1 6410000.0000000            -0.0000097        
  2 959600.0000000             -0.0000283        
  3 218300.0000000             -0.0000779        
  4  61810.0000000             -0.0002005        
  5  20140.0000000             -0.0005160        
  6   7264.0000000             -0.0013499        
  7   2832.0000000             -0.0035689        
  8   1175.0000000             -0.0092771        
  9    512.6000000             -0.0227920        
 10    233.0000000             -0.0513296        
 11    109.5000000             -0.1004798        
 12     52.8600000             -0.1575614        
 13     25.8400000             -0.1432679        
 14     12.1700000              0.0740429        
 15      6.0300000              0.4328062        
 16      3.0120000              0.4874777        
S   16
  1 6410000.0000000             0.0000029        
  2 959600.0000000              0.0000086        
  3 218300.0000000              0.0000236        
  4  61810.0000000              0.0000607        
  5  20140.0000000              0.0001563        
  6   7264.0000000              0.0004086        
  7   2832.0000000              0.0010824        
  8   1175.0000000              0.0028124        
  9    512.6000000              0.0069469        
 10    233.0000000              0.0156984        
 11    109.5000000              0.0312539        
 12     52.8600000              0.0500635        
 13     25.8400000              0.0480366        
 14     12.1700000             -0.0279913        
 15      6.0300000             -0.1801663        
 16      3.0120000             -0.3319244        
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        
P   8
  1   2548.0000000              0.0003197        
  2    603.7000000              0.0022378        
  3    195.6000000              0.0115699        
  4     74.1500000              0.0446694        
  5     30.9400000              0.1308426        
  6     13.6900000              0.2733518        
  7      6.2290000              0.3832825        
  8      2.8780000              0.2909994        
P   8
  1   2548.0000000             -0.0000862        
  2    603.7000000             -0.0006038        
  3    195.6000000             -0.0031420        
  4     74.1500000             -0.0122572        
  5     30.9400000             -0.0368764        
  6     13.6900000             -0.0791535        
  7      6.2290000             -0.1172352        
  8      2.8780000             -0.0854777        
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        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.6180000              1.0000000        
D   1
  1      1.5290000              1.0000000        
D   1
  1      3.7810000              1.0000000        
F   1
  1      0.3200000              1.0000000        
F   1
  1      0.6560000              1.0000000        
F   1
  1      1.3450000              1.0000000        
G   1
  1      0.5560000              1.0000000        
G   1
  1      1.3020000              1.0000000        
H   1
  1      1.0530000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ar
data:
ARGON
S   16
  1 7401000.0000000             0.0000360        
  2 1108000.0000000             0.0001046        
  3 252100.0000000              0.0002853        
  4  71380.0000000              0.0007256        
  5  23260.0000000              0.0018396        
  6   8390.0000000              0.0047194        
  7   3271.0000000              0.0122482        
  8   1357.0000000              0.0311083        
  9    592.0000000              0.0740261        
 10    269.1000000              0.1562167        
 11    126.5000000              0.2708379        
 12     61.0300000              0.3325872        
 13     29.8600000              0.2214785        
 14     14.1700000              0.0491493        
 15      7.0220000              0.0000677        
 16      3.5110000              0.0016544        
S   16
  1 7401000.0000000            -0.0000103        
  2 1108000.0000000            -0.0000299        
  3 252100.0000000             -0.0000817        
  4  71380.0000000             -0.0002079        
  5  23260.0000000             -0.0005280        
  6   8390.0000000             -0.0013600        
  7   3271.0000000             -0.0035529        
  8   1357.0000000             -0.0091649        
  9    592.0000000             -0.0224864        
 10    269.1000000             -0.0506666        
 11    126.5000000             -0.0998693        
 12     61.0300000             -0.1582705        
 13     29.8600000             -0.1483667        
 14     14.1700000              0.0637359        
 15      7.0220000              0.4323161        
 16      3.5110000              0.4952230        
S   16
  1 7401000.0000000             0.0000032        
  2 1108000.0000000             0.0000094        
  3 252100.0000000              0.0000255        
  4  71380.0000000              0.0000650        
  5  23260.0000000              0.0001652        
  6   8390.0000000              0.0004252        
  7   3271.0000000              0.0011131        
  8   1357.0000000              0.0028708        
  9    592.0000000              0.0070796        
 10    269.1000000              0.0160150        
 11    126.5000000              0.0320914        
 12     61.0300000              0.0520162        
 13     29.8600000              0.0514072        
 14     14.1700000             -0.0249043        
 15      7.0220000             -0.1882269        
 16      3.5110000             -0.3495120        
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        
P   8
  1   2927.0000000              0.0003263        
  2    693.5000000              0.0022342        
  3    224.7000000              0.0115079        
  4     85.1700000              0.0446341        
  5     35.5300000              0.1313537        
  6     15.7300000              0.2762330        
  7      7.1650000              0.3871630        
  8      3.3220000              0.2863653        
P   8
  1   2927.0000000             -0.0000913        
  2    693.5000000             -0.0006247        
  3    224.7000000             -0.0032451        
  4     85.1700000             -0.0127016        
  5     35.5300000             -0.0385234        
  6     15.7300000             -0.0831900        
  7      7.1650000             -0.1243699        
  8      3.3220000             -0.0824996        
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        
D   1
  1      0.3090000              1.0000000        
D   1
  1      0.7700000              1.0000000        
D   1
  1      1.9170000              1.0000000        
D   1
  1      4.7760000              1.0000000        
F   1
  1      0.4080000              1.0000000        
F   1
  1      0.8250000              1.0000000        
F   1
  1      1.6680000              1.0000000        
G   1
  1      0.6650000              1.0000000        
G   1
  1      1.5620000              1.0000000        
H   1
  1      1.2640000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   27
  1      1.19495E+08            5.919535E-06     
  2      2.14992E+07            1.431359E-05     
  3      4.80703E+06            4.104556E-05     
  4      1.28440E+06            9.797419E-05     
  5 396595.0000000              0.0002223775     
  6 137575.0000000              0.0004796213     
  7  52366.8000000              0.001020521      
  8  21454.9000000              0.002175114      
  9   9316.0600000              0.004713698      
 10   4235.4000000              0.01036927       
 11   1997.4400000              0.02281143       
 12    970.4300000              0.04868009       
 13    483.2710000              0.09694442       
 14    245.8060000              0.1706005        
 15    127.3600000              0.2430080        
 16     67.0788000              0.2384914        
 17     35.8371000              0.1288846        
 18     19.3713000              0.05207441       
 19     10.5571000              0.08763543       
 20      5.7724900              0.1099903        
 21      3.1454000              0.05080978       
 22      1.6924900              0.006520852      
 23      0.8886490              0.0003956125     
 24      0.4710930             -6.181459E-05     
 25      0.2492860              1.254106E-05     
 26      0.0999880             -4.361028E-06     
 27      0.0463690              1.0567E-05       
S   27
  1      1.19495E+08           -3.393072E-06     
  2      2.14992E+07           -8.205121E-06     
  3      4.80703E+06           -2.353144E-05     
  4      1.28440E+06           -5.618118E-05     
  5 396595.0000000             -0.0001275595     
  6 137575.0000000             -0.0002752891     
  7  52366.8000000             -0.0005862466     
  8  21454.9000000             -0.001251553      
  9   9316.0600000             -0.002718589      
 10   4235.4000000             -0.006008769      
 11   1997.4400000             -0.01332407       
 12    970.4300000             -0.02890036       
 13    483.2710000             -0.05930942       
 14    245.8060000             -0.1107930        
 15    127.3600000             -0.1770984        
 16     67.0788000             -0.2162084        
 17     35.8371000             -0.1469435        
 18     19.3713000              0.0639645        
 19     10.5571000              0.3580420        
 20      5.7724900              0.4634064        
 21      3.1454000              0.2146780        
 22      1.6924900              0.02748374       
 23      0.8886490              0.0005229658     
 24      0.4710930             -0.0009373147     
 25      0.2492860             -0.0001398211     
 26      0.0999880             -1.123025E-05     
 27      0.0463690              3.671184E-05     
S   27
  1      1.19495E+08            6.682412E-07     
  2      2.14992E+07            1.616043E-06     
  3      4.80703E+06            4.635062E-06     
  4      1.28440E+06            1.106844E-05     
  5 396595.0000000              2.513795E-05     
  6 137575.0000000              5.42814E-05      
  7  52366.8000000              0.0001156787     
  8  21454.9000000              0.0002473236     
  9   9316.0600000              0.0005382997     
 10   4235.4000000              0.001194793      
 11   1997.4400000              0.002667407      
 12    970.4300000              0.005866852      
 13    483.2710000              0.01233989       
 14    245.8060000              0.02414443       
 15    127.3600000              0.04178974       
 16     67.0788000              0.05780505       
 17     35.8371000              0.04408753       
 18     19.3713000             -0.03163457       
 19     10.5571000             -0.1852648        
 20      5.7724900             -0.3507145        
 21      3.1454000             -0.2250703        
 22      1.6924900              0.2361473        
 23      0.8886490              0.5771120        
 24      0.4710930              0.3995942        
 25      0.2492860              0.08198503       
 26      0.0999880              0.003786216      
 27      0.0463690              0.00181512       
S   27
  1      1.19495E+08           -1.614274E-07     
  2      2.14992E+07           -3.903897E-07     
  3      4.80703E+06           -1.119695E-06     
  4      1.28440E+06           -2.673836E-06     
  5 396595.0000000             -6.072575E-06     
  6 137575.0000000             -1.311331E-05     
  7  52366.8000000             -2.794401E-05     
  8  21454.9000000             -5.975343E-05     
  9   9316.0600000             -0.0001300308     
 10   4235.4000000             -0.0002887116     
 11   1997.4400000             -0.0006443642     
 12    970.4300000             -0.001418217      
 13    483.2710000             -0.002982216      
 14    245.8060000             -0.005843726      
 15    127.3600000             -0.01011922       
 16     67.0788000             -0.01406049       
 17     35.8371000             -0.01073321       
 18     19.3713000              0.007697945      
 19     10.5571000              0.04671812       
 20      5.7724900              0.09236543       
 21      3.1454000              0.0606934        
 22      1.6924900             -0.07517223       
 23      0.8886490             -0.1934620        
 24      0.4710930             -0.2389696        
 25      0.2492860             -0.1062082        
 26      0.0999880              0.3515695        
 27      0.0463690              0.6241271        
S   27
  1      1.19495E+08            2.812987E-07     
  2      2.14992E+07            6.804514E-07     
  3      4.80703E+06            1.950692E-06     
  4      1.28440E+06            4.662709E-06     
  5 396595.0000000              1.056941E-05     
  6 137575.0000000              2.290727E-05     
  7  52366.8000000              4.849852E-05     
  8  21454.9000000              0.0001048147     
  9   9316.0600000              0.000224504      
 10   4235.4000000              0.0005093451     
 11   1997.4400000              0.001106294      
 12    970.4300000              0.002516249      
 13    483.2710000              0.005091015      
 14    245.8060000              0.01045914       
 15    127.3600000              0.0170637        
 16     67.0788000              0.02597877       
 17     35.8371000              0.01587703       
 18     19.3713000             -0.007290353      
 19     10.5571000             -0.09570927       
 20      5.7724900             -0.1484969        
 21      3.1454000             -0.1520052        
 22      1.6924900              0.2384846        
 23      0.8886490              0.3501435        
 24      0.4710930              0.7548168        
 25      0.2492860             -0.8094605        
 26      0.0999880             -1.4805040        
 27      0.0463690              0.7689142        
S   27
  1      1.19495E+08           -4.312322E-07     
  2      2.14992E+07           -1.043095E-06     
  3      4.80703E+06           -2.990538E-06     
  4      1.28440E+06           -7.147204E-06     
  5 396595.0000000             -1.620618E-05     
  6 137575.0000000             -3.510428E-05     
  7  52366.8000000             -7.439904E-05     
  8  21454.9000000             -0.0001605264     
  9   9316.0600000             -0.00034471       
 10   4235.4000000             -0.0007794742     
 11   1997.4400000             -0.001700679      
 12    970.4300000             -0.003848994      
 13    483.2710000             -0.007841304      
 14    245.8060000             -0.01600342       
 15    127.3600000             -0.02642693       
 16     67.0788000             -0.0397741        
 17     35.8371000             -0.02549301       
 18     19.3713000              0.0129649        
 19     10.5571000              0.1497257        
 20      5.7724900              0.2670537        
 21      3.1454000              0.2379641        
 22      1.6924900             -0.5490284        
 23      0.8886490             -1.0568440        
 24      0.4710930             -0.1164882        
 25      0.2492860              2.7444610        
 26      0.0999880             -1.4562880        
 27      0.0463690             -1.5228980        
S   27
  1      1.19495E+08           -4.876401E-07     
  2      2.14992E+07           -1.177921E-06     
  3      4.80703E+06           -3.38614E-06      
  4      1.28440E+06           -8.050139E-06     
  5 396595.0000000             -1.844652E-05     
  6 137575.0000000             -3.916005E-05     
  7  52366.8000000             -8.601642E-05     
  8  21454.9000000             -0.0001749806     
  9   9316.0600000             -0.0004098121     
 10   4235.4000000             -0.000822644      
 11   1997.4400000             -0.002082943      
 12    970.4300000             -0.003935527      
 13    483.2710000             -0.009907611      
 14    245.8060000             -0.01561908       
 15    127.3600000             -0.03578066       
 16     67.0788000             -0.0322496        
 17     35.8371000             -0.05745036       
 18     19.3713000              0.06918013       
 19     10.5571000              0.06434433       
 20      5.7724900              0.5933674        
 21      3.1454000             -0.1545044        
 22      1.6924900             -0.3050918        
 23      0.8886490             -2.9817180        
 24      0.4710930              4.9770390        
 25      0.2492860             -1.0825320        
 26      0.0999880             -4.2115770        
 27      0.0463690              5.6433950        
S   27
  1      1.19495E+08            7.519349E-07     
  2      2.14992E+07            1.820755E-06     
  3      4.80703E+06            5.209344E-06     
  4      1.28440E+06            1.250064E-05     
  5 396595.0000000              2.812046E-05     
  6 137575.0000000              6.183087E-05     
  7  52366.8000000              0.0001276431     
  8  21454.9000000              0.0002872        
  9   9316.0600000              0.0005798599     
 10   4235.4000000              0.001423352      
 11   1997.4400000              0.002800518      
 12    970.4300000              0.007178441      
 13    483.2710000              0.01264813       
 14    245.8060000              0.03086293       
 15    127.3600000              0.04074745       
 16     67.0788000              0.08547422       
 17     35.8371000              0.01756683       
 18     19.3713000              0.03153591       
 19     10.5571000             -0.4357717        
 20      5.7724900             -0.5492452        
 21      3.1454000             -0.4585412        
 22      1.6924900              4.1915080        
 23      0.8886490             -2.5292380        
 24      0.4710930             -5.4200720        
 25      0.2492860              9.3856740        
 26      0.0999880             -8.5529250        
 27      0.0463690              6.2316380        
S   1
  1      0.0216060              1.0000000        
P   19
  1  55070.5000000              0.0000140        
  2  13741.7000000              0.0000480        
  3   4365.4000000              0.0002020        
  4   1642.2600000              0.0007550        
  5    694.0660000              0.0026780        
  6    317.7420000              0.0085560        
  7    153.8990000              0.0245140        
  8     77.7665000              0.0617000        
  9     40.6736000              0.1309760        
 10     21.9061000              0.2216990        
 11     12.0795000              0.2929820        
 12      6.7534900              0.2755820        
 13      3.7632100              0.1467940        
 14      2.0497300              0.0316730        
 15      1.0864500              0.0001230        
 16      0.5640870             -0.0016080        
 17      0.2810200             -0.0008200        
 18      0.1214320             -0.0000640        
 19      0.0533450             -0.0000110        
P   19
  1  55070.5000000             -0.0000050        
  2  13741.7000000             -0.0000160        
  3   4365.4000000             -0.0000660        
  4   1642.2600000             -0.0002480        
  5    694.0660000             -0.0008820        
  6    317.7420000             -0.0028300        
  7    153.8990000             -0.0081890        
  8     77.7665000             -0.0209720        
  9     40.6736000             -0.0457600        
 10     21.9061000             -0.0797890        
 11     12.0795000             -0.1104030        
 12      6.7534900             -0.1073290        
 13      3.7632100              0.0005330        
 14      2.0497300              0.2185950        
 15      1.0864500              0.3923630        
 16      0.5640870              0.3629300        
 17      0.2810200              0.1490230        
 18      0.1214320              0.0150900        
 19      0.0533450              0.0005720        
P   19
  1  55070.5000000             -0.0000010        
  2  13741.7000000             -0.0000040        
  3   4365.4000000             -0.0000160        
  4   1642.2600000             -0.0000600        
  5    694.0660000             -0.0002160        
  6    317.7420000             -0.0006880        
  7    153.8990000             -0.0020050        
  8     77.7665000             -0.0051070        
  9     40.6736000             -0.0112560        
 10     21.9061000             -0.0194870        
 11     12.0795000             -0.0275520        
 12      6.7534900             -0.0261990        
 13      3.7632100              0.0018280        
 14      2.0497300              0.0650400        
 15      1.0864500              0.1153720        
 16      0.5640870              0.1375210        
 17      0.2810200             -0.0077520        
 18      0.1214320             -0.3617510        
 19      0.0533450             -0.5419820        
P   19
  1  55070.5000000              0.0000010        
  2  13741.7000000              0.0000050        
  3   4365.4000000              0.0000200        
  4   1642.2600000              0.0000740        
  5    694.0660000              0.0002620        
  6    317.7420000              0.0008430        
  7    153.8990000              0.0024310        
  8     77.7665000              0.0062550        
  9     40.6736000              0.0136160        
 10     21.9061000              0.0239330        
 11     12.0795000              0.0330500        
 12      6.7534900              0.0328270        
 13      3.7632100             -0.0025620        
 14      2.0497300             -0.0748050        
 15      1.0864500             -0.1376450        
 16      0.5640870             -0.1704280        
 17      0.2810200             -0.0478640        
 18      0.1214320              0.5835210        
 19      0.0533450              0.5151680        
P   19
  1  55070.5000000              0.0000030        
  2  13741.7000000              0.0000090        
  3   4365.4000000              0.0000410        
  4   1642.2600000              0.0001420        
  5    694.0660000              0.0005460        
  6    317.7420000              0.0016140        
  7    153.8990000              0.0050860        
  8     77.7665000              0.0118990        
  9     40.6736000              0.0287890        
 10     21.9061000              0.0441380        
 11     12.0795000              0.0761020        
 12      6.7534900              0.0560570        
 13      3.7632100              0.0243250        
 14      2.0497300             -0.2171150        
 15      1.0864500             -0.3703350        
 16      0.5640870             -0.4435200        
 17      0.2810200              1.2379380        
 18      0.1214320              0.4129960        
 19      0.0533450             -0.9400080        
P   19
  1  55070.5000000             -0.0000030        
  2  13741.7000000             -0.0000120        
  3   4365.4000000             -0.0000410        
  4   1642.2600000             -0.0002080        
  5    694.0660000             -0.0005200        
  6    317.7420000             -0.0024110        
  7    153.8990000             -0.0047120        
  8     77.7665000             -0.0181750        
  9     40.6736000             -0.0243790        
 10     21.9061000             -0.0766640        
 11     12.0795000             -0.0436370        
 12      6.7534900             -0.1925250        
 13      3.7632100              0.1326390        
 14      2.0497300              0.1135500        
 15      1.0864500              1.3669040        
 16      0.5640870             -1.5617250        
 17      0.2810200             -0.8936100        
 18      0.1214320              2.2910790        
 19      0.0533450             -1.2338460        
P   19
  1  55070.5000000             -0.0000050        
  2  13741.7000000             -0.0000160        
  3   4365.4000000             -0.0000700        
  4   1642.2600000             -0.0002610        
  5    694.0660000             -0.0009290        
  6    317.7420000             -0.0029870        
  7    153.8990000             -0.0086890        
  8     77.7665000             -0.0225240        
  9     40.6736000             -0.0494670        
 10     21.9061000             -0.0860160        
 11     12.0795000             -0.1162080        
 12      6.7534900             -0.1761440        
 13      3.7632100              0.0102780        
 14      2.0497300              1.2619260        
 15      1.0864500              0.2599850        
 16      0.5640870             -3.7739520        
 17      0.2810200              4.5043640        
 18      0.1214320             -2.6297080        
 19      0.0533450              0.5247230        
P   1
  1      0.0231430              1.0000000        
D   11
  1    206.8490000              0.0002450        
  2     60.9977000              0.0021780        
  3     23.3085000              0.0108150        
  4      9.9288100              0.0355520        
  5      4.4867000              0.0918530        
  6      2.1263200              0.1773870        
  7      1.0200800              0.2535140        
  8      0.4853730              0.2911880        
  9      0.2271980              0.2739590        
 10      0.1042040              0.1939380        
 11      0.0468350              0.0750160        
D   11
  1    206.8490000             -0.0002520        
  2     60.9977000             -0.0022360        
  3     23.3085000             -0.0111280        
  4      9.9288100             -0.0368300        
  5      4.4867000             -0.0965200        
  6      2.1263200             -0.1818110        
  7      1.0200800             -0.2453530        
  8      0.4853730             -0.2113190        
  9      0.2271980              0.0933260        
 10      0.1042040              0.4634600        
 11      0.0468350              0.3871780        
D   11
  1    206.8490000             -0.0003270        
  2     60.9977000             -0.0028490        
  3     23.3085000             -0.0145650        
  4      9.9288100             -0.0472320        
  5      4.4867000             -0.1264930        
  6      2.1263200             -0.2349220        
  7      1.0200800             -0.2844630        
  8      0.4853730              0.0738220        
  9      0.2271980              0.7433150        
 10      0.1042040              0.1237380        
 11      0.0468350             -0.6748410        
D   11
  1    206.8490000             -0.0004720        
  2     60.9977000             -0.0038040        
  3     23.3085000             -0.0209510        
  4      9.9288100             -0.0644210        
  5      4.4867000             -0.1927550        
  6      2.1263200             -0.3074170        
  7      1.0200800             -0.2835280        
  8      0.4853730              1.0750720        
  9      0.2271980              0.0383790        
 10      0.1042040             -1.2564750        
 11      0.0468350              0.7662620        
D   11
  1    206.8490000             -0.0005390        
  2     60.9977000             -0.0068390        
  3     23.3085000             -0.0259800        
  4      9.9288100             -0.1209740        
  5      4.4867000             -0.2394840        
  6      2.1263200             -0.6282700        
  7      1.0200800              0.9521130        
  8      0.4853730              0.6713530        
  9      0.2271980             -2.1441440        
 10      0.1042040              1.9275440        
 11      0.0468350             -0.6275630        
D   1
  1      0.0202590              1.0000000        
F   1
  1      2.3108000              1.0000000        
F   1
  1      0.7560000              1.0000000        
F   1
  1      0.2473000              1.0000000        
F   1
  1      0.0809000              1.0000000        
G   1
  1      1.7350000              1.0000000        
G   1
  1      0.5448000              1.0000000        
G   1
  1      0.1711000              1.0000000        
H   1
  1      1.1423000              1.0000000        
H   1
  1      0.3290000              1.0000000        
I   1
  1      1.1682000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   27
  1      1.22647E+08            6.653555E-06     
  2      2.19562E+07            1.613946E-05     
  3      4.90233E+06            4.614898E-05     
  4      1.31060E+06            0.0001098321     
  5 405228.0000000              0.0002484956     
  6 140757.0000000              0.0005342847     
  7  53625.1000000              0.001133562      
  8  21976.2000000              0.0024093        
  9   9539.6000000              0.005206248      
 10   4334.3700000              0.01141582       
 11   2042.8900000              0.02500563       
 12    992.3080000              0.05299834       
 13    494.4460000              0.1043003        
 14    251.9070000              0.1799215        
 15    130.9050000              0.2478886        
 16     69.2368000              0.2308955        
 17     37.1847000              0.1171295        
 18     20.2157000              0.05130277       
 19     11.0765000              0.09090767       
 20      6.0786700              0.1038986        
 21      3.3127700              0.04277212       
 22      1.7725000              0.004698514      
 23      0.9173780              0.0002635682     
 24      0.4692830             -6.454181E-05     
 25      0.2192670              1.082874E-05     
 26      0.1058110              8.421612E-08     
 27      0.0484430              1.563308E-05     
S   27
  1      1.22647E+08           -3.777645E-06     
  2      2.19562E+07           -9.164102E-06     
  3      4.90233E+06           -2.620684E-05     
  4      1.31060E+06           -6.238605E-05     
  5 405228.0000000             -0.0001412011     
  6 140757.0000000             -0.0003037954     
  7  53625.1000000             -0.0006451652     
  8  21976.2000000             -0.001373651      
  9   9539.6000000             -0.002976146      
 10   4334.3700000             -0.006559216      
 11   2042.8900000             -0.01449461       
 12    992.3080000             -0.03126791       
 13    494.4460000             -0.06359677       
 14    251.9070000             -0.1170675        
 15    130.9050000             -0.1828196        
 16     69.2368000             -0.2142700        
 17     37.1847000             -0.1312221        
 18     20.2157000              0.09218944       
 19     11.0765000              0.3859538        
 20      6.0786700              0.4515632        
 21      3.3127700              0.1862977        
 22      1.7725000              0.02023129       
 23      0.9173780             -6.633534E-05     
 24      0.4692830             -0.0008927498     
 25      0.2192670             -6.197787E-05     
 26      0.1058110              1.790704E-05     
 27      0.0484430              5.846808E-05     
S   27
  1      1.22647E+08            7.674459E-07     
  2      2.19562E+07            1.861863E-06     
  3      4.90233E+06            5.324913E-06     
  4      1.31060E+06            1.2679E-05       
  5 405228.0000000              2.870495E-05     
  6 140757.0000000              6.179898E-05     
  7  53625.1000000              0.0001313324     
  8  21976.2000000              0.000280105      
  9   9539.6000000              0.0006080523     
 10   4334.3700000              0.001346488      
 11   2042.8900000              0.002996038      
 12    992.3080000              0.006562148      
 13    494.4460000              0.01369205       
 14    251.9070000              0.02648196       
 15    130.9050000              0.0448890        
 16     69.2368000              0.05976643       
 17     37.1847000              0.04031555       
 18     20.2157000             -0.0441235        
 19     11.0765000             -0.2114728        
 20      6.0786700             -0.3640708        
 21      3.3127700             -0.1847230        
 22      1.7725000              0.3081164        
 23      0.9173780              0.6066013        
 24      0.4692830              0.3468082        
 25      0.2192670              0.04058903       
 26      0.1058110             -0.000391043      
 27      0.0484430              0.002501968      
S   27
  1      1.22647E+08           -1.819398E-07     
  2      2.19562E+07           -4.41398E-07      
  3      4.90233E+06           -1.262383E-06     
  4      1.31060E+06           -3.005895E-06     
  5 405228.0000000             -6.805029E-06     
  6 140757.0000000             -1.465182E-05     
  7  53625.1000000             -3.113348E-05     
  8  21976.2000000             -6.641746E-05     
  9   9539.6000000             -0.0001441365     
 10   4334.3700000             -0.000319341      
 11   2042.8900000             -0.0007102401     
 12    992.3080000             -0.001557001      
 13    494.4460000             -0.003247483      
 14    251.9070000             -0.006292418      
 15    130.9050000             -0.01067067       
 16     69.2368000             -0.01428281       
 17     37.1847000             -0.009632094      
 18     20.2157000              0.0105720        
 19     11.0765000              0.05267722       
 20      6.0786700              0.09469896       
 21      3.3127700              0.04838713       
 22      1.7725000             -0.09536682       
 23      0.9173780             -0.2116255        
 24      0.4692830             -0.2381936        
 25      0.2192670             -0.05246589       
 26      0.1058110              0.3869866        
 27      0.0484430              0.6037621        
S   27
  1      1.22647E+08            3.399465E-07     
  2      2.19562E+07            8.247278E-07     
  3      4.90233E+06            2.358728E-06     
  4      1.31060E+06            5.616301E-06     
  5 405228.0000000              1.271542E-05     
  6 140757.0000000              2.737492E-05     
  7  53625.1000000              5.817942E-05     
  8  21976.2000000              0.0001240819     
  9   9539.6000000              0.0002693998     
 10   4334.3700000              0.000596555      
 11   2042.8900000              0.001327899      
 12    992.3080000              0.00290901       
 13    494.4460000              0.006076074      
 14    251.9070000              0.01176603       
 15    130.9050000              0.02001317       
 16     69.2368000              0.02677974       
 17     37.1847000              0.01826065       
 18     20.2157000             -0.02007811       
 19     11.0765000             -0.1014260        
 20      6.0786700             -0.1911626        
 21      3.3127700             -0.09195848       
 22      1.7725000              0.2382647        
 23      0.9173780              0.5877260        
 24      0.4692830              0.3656232        
 25      0.2192670             -0.9952926        
 26      0.1058110             -1.0629930        
 27      0.0484430              0.7767954        
S   27
  1      1.22647E+08           -5.165097E-07     
  2      2.19562E+07           -1.252882E-06     
  3      4.90233E+06           -3.58436E-06      
  4      1.31060E+06           -8.529531E-06     
  5 405228.0000000             -1.933437E-05     
  6 140757.0000000             -4.152977E-05     
  7  53625.1000000             -8.86271E-05      
  8  21976.2000000             -0.0001877584     
  9   9539.6000000             -0.0004117762     
 10   4334.3700000             -0.0008995392     
 11   2042.8900000             -0.00203764       
 12    992.3080000             -0.004372593      
 13    494.4460000             -0.009371418      
 14    251.9070000             -0.01761793       
 15    130.9050000             -0.03127669       
 16     69.2368000             -0.0394600        
 17     37.1847000             -0.03164837       
 18     20.2157000              0.03808886       
 19     11.0765000              0.1502097        
 20      6.0786700              0.3568484        
 21      3.3127700              0.09579577       
 22      1.7725000             -0.5931501        
 23      0.9173780             -1.4029870        
 24      0.4692830              1.2948550        
 25      0.2192670              2.1050350        
 26      0.1058110             -2.3454890        
 27      0.0484430             -0.6659030        
S   27
  1      1.22647E+08           -6.130654E-07     
  2      2.19562E+07           -1.486934E-06     
  3      4.90233E+06           -4.254847E-06     
  4      1.31060E+06           -1.0121E-05       
  5 405228.0000000             -2.296105E-05     
  6 140757.0000000             -4.924078E-05     
  7  53625.1000000             -0.0001053951     
  8  21976.2000000             -0.0002221924     
  9   9539.6000000             -0.0004909744     
 10   4334.3700000             -0.001061652      
 11   2042.8900000             -0.002437073      
 12    992.3080000             -0.005148493      
 13    494.4460000             -0.01125485       
 14    251.9070000             -0.02070111       
 15    130.9050000             -0.03801176       
 16     69.2368000             -0.0460026        
 17     37.1847000             -0.04154012       
 18     20.2157000              0.0487637        
 19     11.0765000              0.1925955        
 20      6.0786700              0.5435896        
 21      3.3127700             -0.05407633       
 22      1.7725000             -1.3033880        
 23      0.9173780             -1.3684980        
 24      0.4692830              4.8530280        
 25      0.2192670             -3.2762980        
 26      0.1058110             -1.5668410        
 27      0.0484430              4.2040350        
S   27
  1      1.22647E+08           -8.549962E-07     
  2      2.19562E+07           -2.079199E-06     
  3      4.90233E+06           -5.919144E-06     
  4      1.31060E+06           -1.422274E-05     
  5 405228.0000000             -3.162293E-05     
  6 140757.0000000             -7.045952E-05     
  7  53625.1000000             -0.0001407958     
  8  21976.2000000             -0.0003314919     
  9   9539.6000000             -0.0006194799     
 10   4334.3700000             -0.001674815      
 11   2042.8900000             -0.002880831      
 12    992.3080000             -0.008576546      
 13    494.4460000             -0.01234665       
 14    251.9070000             -0.03746245       
 15    130.9050000             -0.03433454       
 16     69.2368000             -0.1097497        
 17     37.1847000              0.03447519       
 18     20.2157000             -0.1133770        
 19     11.0765000              0.6927722        
 20      6.0786700              0.3005719        
 21      3.3127700              0.4990677        
 22      1.7725000             -5.4080910        
 23      0.9173780              7.0117810        
 24      0.4692830             -1.6041680        
 25      0.2192670             -5.4763320        
 26      0.1058110              8.3958070        
 27      0.0484430             -6.4227320        
S   1
  1      0.0225350              1.0000000        
P   19
  1  59284.9000000              0.0000160        
  2  14323.6000000              0.0000550        
  3   4537.2200000              0.0002280        
  4   1726.5400000              0.0008230        
  5    741.0750000              0.0028250        
  6    343.8070000              0.0088340        
  7    167.8840000              0.0251330        
  8     85.0394000              0.0634540        
  9     44.3829000              0.1354900        
 10     23.7928000              0.2297170        
 11     13.0536000              0.3000430        
 12      7.2687200              0.2708810        
 13      4.0380500              0.1339910        
 14      2.1929400              0.0256630        
 15      1.1616200             -0.0004750        
 16      0.6032500             -0.0015650        
 17      0.3001740             -0.0006970        
 18      0.1301310             -0.0000450        
 19      0.0572230             -0.0000100        
P   19
  1  59284.9000000             -0.0000050        
  2  14323.6000000             -0.0000180        
  3   4537.2200000             -0.0000760        
  4   1726.5400000             -0.0002760        
  5    741.0750000             -0.0009510        
  6    343.8070000             -0.0029880        
  7    167.8840000             -0.0085890        
  8     85.0394000             -0.0220780        
  9     44.3829000             -0.0485130        
 10     23.7928000             -0.0848740        
 11     13.0536000             -0.1165050        
 12      7.2687200             -0.1060460        
 13      4.0380500              0.0208230        
 14      2.1929400              0.2474250        
 15      1.1616200              0.4015100        
 16      0.6032500              0.3401570        
 17      0.3001740              0.1258060        
 18      0.1301310              0.0112720        
 19      0.0572230              0.0006720        
P   19
  1  59284.9000000              0.0000010        
  2  14323.6000000              0.0000040        
  3   4537.2200000              0.0000180        
  4   1726.5400000              0.0000660        
  5    741.0750000              0.0002290        
  6    343.8070000              0.0007140        
  7    167.8840000              0.0020690        
  8     85.0394000              0.0052890        
  9     44.3829000              0.0117380        
 10     23.7928000              0.0203950        
 11     13.0536000              0.0286140        
 12      7.2687200              0.0253940        
 13      4.0380500             -0.0070940        
 14      2.1929400             -0.0720970        
 15      1.1616200             -0.1181340        
 16      0.6032500             -0.1292760        
 17      0.3001740              0.0315740        
 18      0.1301310              0.3785710        
 19      0.0572230              0.5269710        
P   19
  1  59284.9000000              0.0000020        
  2  14323.6000000              0.0000060        
  3   4537.2200000              0.0000230        
  4   1726.5400000              0.0000830        
  5    741.0750000              0.0002880        
  6    343.8070000              0.0008990        
  7    167.8840000              0.0026000        
  8     85.0394000              0.0066510        
  9     44.3829000              0.0147430        
 10     23.7928000              0.0256560        
 11     13.0536000              0.0359060        
 12      7.2687200              0.0320880        
 13      4.0380500             -0.0081700        
 14      2.1929400             -0.0887810        
 15      1.1616200             -0.1438960        
 16      0.6032500             -0.1737260        
 17      0.3001740              0.0151180        
 18      0.1301310              0.6060130        
 19      0.0572230              0.4639250        
P   19
  1  59284.9000000              0.0000030        
  2  14323.6000000              0.0000110        
  3   4537.2200000              0.0000460        
  4   1726.5400000              0.0001590        
  5    741.0750000              0.0005830        
  6    343.8070000              0.0017100        
  7    167.8840000              0.0052750        
  8     85.0394000              0.0126190        
  9     44.3829000              0.0300870        
 10     23.7928000              0.0478170        
 11     13.0536000              0.0780840        
 12      7.2687200              0.0572690        
 13      4.0380500              0.0042350        
 14      2.1929400             -0.2405920        
 15      1.1616200             -0.3988240        
 16      0.6032500             -0.3071790        
 17      0.3001740              1.2623310        
 18      0.1301310              0.2556860        
 19      0.0572230             -0.8992420        
P   19
  1  59284.9000000              0.0000040        
  2  14323.6000000              0.0000150        
  3   4537.2200000              0.0000510        
  4   1726.5400000              0.0002320        
  5    741.0750000              0.0006090        
  6    343.8070000              0.0025490        
  7    167.8840000              0.0054260        
  8     85.0394000              0.0189510        
  9     44.3829000              0.0294070        
 10     23.7928000              0.0786330        
 11     13.0536000              0.0601470        
 12      7.2687200              0.1842020        
 13      4.0380500             -0.1207450        
 14      2.1929400             -0.3032660        
 15      1.1616200             -1.2402470        
 16      0.6032500              1.9464230        
 17      0.3001740              0.3010090        
 18      0.1301310             -1.9812890        
 19      0.0572230              1.1972360        
P   19
  1  59284.9000000             -0.0000060        
  2  14323.6000000             -0.0000180        
  3   4537.2200000             -0.0000810        
  4   1726.5400000             -0.0002690        
  5    741.0750000             -0.0010210        
  6    343.8070000             -0.0028930        
  7    167.8840000             -0.0093000        
  8     85.0394000             -0.0215640        
  9     44.3829000             -0.0538970        
 10     23.7928000             -0.0809110        
 11     13.0536000             -0.1385590        
 12      7.2687200             -0.1746190        
 13      4.0380500              0.0897820        
 14      2.1929400              1.4800170        
 15      1.1616200             -0.5900780        
 16      0.6032500             -2.8885950        
 17      0.3001740              4.2554030        
 18      0.1301310             -2.8758510        
 19      0.0572230              0.8101380        
P   1
  1      0.0249100              1.0000000        
D   11
  1    261.2460000              0.0002210        
  2     77.4454000              0.0019730        
  3     29.6879000              0.0101400        
  4     12.7642000              0.0343140        
  5      5.8299200              0.0898200        
  6      2.7978300              0.1779610        
  7      1.3638300              0.2593050        
  8      0.6600370              0.2967420        
  9      0.3136990              0.2697420        
 10      0.1449780              0.1799180        
 11      0.0647720              0.0669950        
D   11
  1    261.2460000             -0.0002250        
  2     77.4454000             -0.0020120        
  3     29.6879000             -0.0103650        
  4     12.7642000             -0.0353510        
  5      5.8299200             -0.0943990        
  6      2.7978300             -0.1831950        
  7      1.3638300             -0.2438690        
  8      0.6600370             -0.1915460        
  9      0.3136990              0.1086070        
 10      0.1449780              0.4574300        
 11      0.0647720              0.3913590        
D   11
  1    261.2460000             -0.0003590        
  2     77.4454000             -0.0031940        
  3     29.6879000             -0.0167290        
  4     12.7642000             -0.0574460        
  5      5.8299200             -0.1579450        
  6      2.7978300             -0.2878870        
  7      1.3638300             -0.2743220        
  8      0.6600370              0.1968330        
  9      0.3136990              0.6962870        
 10      0.1449780              0.0262030        
 11      0.0647720             -0.6014690        
D   11
  1    261.2460000              0.0004330        
  2     77.4454000              0.0036220        
  3     29.6879000              0.0201220        
  4     12.7642000              0.0664280        
  5      5.8299200              0.2041410        
  6      2.7978300              0.3220550        
  7      1.3638300              0.1271500        
  8      0.6600370             -0.9939100        
  9      0.3136990              0.0726930        
 10      0.1449780              1.1603820        
 11      0.0647720             -0.6995170        
D   11
  1    261.2460000              0.0005540        
  2     77.4454000              0.0061940        
  3     29.6879000              0.0274000        
  4     12.7642000              0.1196640        
  5      5.8299200              0.2918240        
  6      2.7978300              0.5157480        
  7      1.3638300             -0.9398630        
  8      0.6600370             -0.5732200        
  9      0.3136990              1.9949630        
 10      0.1449780             -1.6489450        
 11      0.0647720              0.2848740        
D   1
  1      0.0273760              1.0000000        
F   1
  1      3.5042000              1.0000000        
F   1
  1      1.1617000              1.0000000        
F   1
  1      0.3851000              1.0000000        
F   1
  1      0.1277000              1.0000000        
G   1
  1      2.5324000              1.0000000        
G   1
  1      0.8027000              1.0000000        
G   1
  1      0.2544000              1.0000000        
H   1
  1      1.8034000              1.0000000        
H   1
  1      0.5044000              1.0000000        
I   1
  1      0.9864000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: V
data:
VANADIUM
S   27
  1      1.28349E+08            7.356705E-06     
  2      2.29044E+07            1.786824E-05     
  3      5.10777E+06            5.098889E-05     
  4      1.36528E+06            0.000121072      
  5 422228.0000000              0.0002732114     
  6 146685.0000000              0.0005857547     
  7  55872.3000000              0.001239105      
  8  22881.3000000              0.002625599      
  9   9920.4500000              0.00565687       
 10   4499.9200000              0.01237143       
 11   2116.7500000              0.02703115       
 12   1026.0600000              0.05709522       
 13    510.2570000              0.1115932        
 14    259.5320000              0.1898393        
 15    134.7090000              0.2543687        
 16     71.2104000              0.2252741        
 17     38.2496000              0.1067044        
 18     20.8102000              0.0511901        
 19     11.4158000              0.09230865       
 20      6.2730200              0.09330965       
 21      3.4217700              0.03315559       
 22      1.8304400              0.003087216      
 23      0.9452350              0.0001488484     
 24      0.4759280             -5.731104E-05     
 25      0.1863810              5.722118E-06     
 26      0.1067680              7.095741E-06     
 27      0.0499790              1.841164E-05     
S   27
  1      1.28349E+08           -4.077497E-06     
  2      2.29044E+07           -9.904408E-06     
  3      5.10777E+06           -2.826701E-05     
  4      1.36528E+06           -6.713697E-05     
  5 422228.0000000             -0.0001515645     
  6 146685.0000000             -0.00032518       
  7  55872.3000000             -0.0006886285     
  8  22881.3000000             -0.00146189       
  9   9920.4500000             -0.00315893       
 10   4499.9200000             -0.006946262      
 11   2116.7500000             -0.01532505       
 12   1026.0600000             -0.03299103       
 13    510.2570000             -0.06684496       
 14    259.5320000             -0.1220202        
 15    134.7090000             -0.1873822        
 16     71.2104000             -0.2113255        
 17     38.2496000             -0.1130379        
 18     20.8102000              0.1277586        
 19     11.4158000              0.4186041        
 20      6.2730200              0.4309142        
 21      3.4217700              0.1532117        
 22      1.8304400              0.0139112        
 23      0.9452350             -0.0005845882     
 24      0.4759280             -0.0007972901     
 25      0.1863810             -5.538211E-05     
 26      0.1067680              6.572664E-05     
 27      0.0499790              7.19369E-05      
S   27
  1      1.28349E+08            8.603915E-07     
  2      2.29044E+07            2.090087E-06     
  3      5.10777E+06            5.965628E-06     
  4      1.36528E+06            1.417245E-05     
  5 422228.0000000              3.200385E-05     
  6 146685.0000000              6.871208E-05     
  7  55872.3000000              0.0001456091     
  8  22881.3000000              0.0003096893     
  9   9920.4500000              0.0006704643     
 10   4499.9200000              0.001481838      
 11   2116.7500000              0.003291939      
 12   1026.0600000              0.007201054      
 13    510.2570000              0.01497543       
 14    259.5320000              0.0287821        
 15    134.7090000              0.04804314       
 16     71.2104000              0.06159329       
 17     38.2496000              0.03536191       
 18     20.8102000             -0.06073828       
 19     11.4158000             -0.2436103        
 20      6.2730200             -0.3702706        
 21      3.4217700             -0.1271151        
 22      1.8304400              0.3751019        
 23      0.9452350              0.6053597        
 24      0.4759280              0.2921984        
 25      0.1863810              0.02433509       
 26      0.1067680             -0.004127538      
 27      0.0499790              0.003018388      
S   27
  1      1.28349E+08           -2.00208E-07      
  2      2.29044E+07           -4.863529E-07     
  3      5.10777E+06           -1.388165E-06     
  4      1.36528E+06           -3.297899E-06     
  5 422228.0000000             -7.447067E-06     
  6 146685.0000000             -1.59897E-05      
  7  55872.3000000             -3.388204E-05     
  8  22881.3000000             -7.20715E-05      
  9   9920.4500000             -0.0001560162     
 10   4499.9200000             -0.0003449014     
 11   2116.7500000             -0.0007661694     
 12   1026.0600000             -0.00167669       
 13    510.2570000             -0.003487904      
 14    259.5320000             -0.006711267      
 15    134.7090000             -0.0112217        
 16     71.2104000             -0.01444379       
 17     38.2496000             -0.00833094       
 18     20.8102000              0.0144271        
 19     11.4158000              0.05982672       
 20      6.2730200              0.09540397       
 21      3.4217700              0.03117879       
 22      1.8304400             -0.1132242        
 23      0.9452350             -0.2210081        
 24      0.4759280             -0.2196576        
 25      0.1863810              0.0003626926     
 26      0.1067680              0.4068028        
 27      0.0499790              0.5697882        
S   27
  1      1.28349E+08           -3.901614E-07     
  2      2.29044E+07           -9.475826E-07     
  3      5.10777E+06           -2.70579E-06      
  4      1.36528E+06           -6.422846E-06     
  5 422228.0000000             -1.452788E-05     
  6 146685.0000000             -3.109393E-05     
  7  55872.3000000             -6.626421E-05     
  8  22881.3000000             -0.0001396479     
  9   9920.4500000             -0.0003065372     
 10   4499.9200000             -0.000664949      
 11   2116.7500000             -0.00151327       
 12   1026.0600000             -0.003216756      
 13    510.2570000             -0.006933933      
 14    259.5320000             -0.01278132       
 15    134.7090000             -0.02268481       
 16     71.2104000             -0.02661842       
 17     38.2496000             -0.02007282       
 18     20.8102000              0.03592281       
 19     11.4158000              0.1069343        
 20      6.2730200              0.2278498        
 21      3.4217700              0.01379761       
 22      1.8304400             -0.2372538        
 23      0.9452350             -0.7484825        
 24      0.4759280              0.02202189       
 25      0.1863810              1.2833500        
 26      0.1067680              0.4625684        
 27      0.0499790             -0.7206233        
S   27
  1      1.28349E+08           -5.943749E-07     
  2      2.29044E+07           -1.443354E-06     
  3      5.10777E+06           -4.122573E-06     
  4      1.36528E+06           -9.780822E-06     
  5 422228.0000000             -2.214671E-05     
  6 146685.0000000             -4.730618E-05     
  7  55872.3000000             -0.0001011766     
  8  22881.3000000             -0.000211986      
  9   9920.4500000             -0.0004694133     
 10   4499.9200000             -0.001006324      
 11   2116.7500000             -0.00232522       
 12   1026.0600000             -0.004855172      
 13    510.2570000             -0.01070394       
 14    259.5320000             -0.01923086       
 15    134.7090000             -0.03545813       
 16     71.2104000             -0.03942564       
 17     38.2496000             -0.03445506       
 18     20.8102000              0.06260601       
 19     11.4158000              0.1646280        
 20      6.2730200              0.4190186        
 21      3.4217700             -0.05135443       
 22      1.8304400             -0.6890882        
 23      0.9452350             -1.4265880        
 24      0.4759280              2.1578180        
 25      0.1863810              1.5272650        
 26      0.1067680             -2.8478340        
 27      0.0499790             -0.04977937       
S   27
  1      1.28349E+08           -7.289808E-07     
  2      2.29044E+07           -1.771972E-06     
  3      5.10777E+06           -5.05166E-06      
  4      1.36528E+06           -1.202932E-05     
  5 422228.0000000             -2.704018E-05     
  6 146685.0000000             -5.856786E-05     
  7  55872.3000000             -0.0001222068     
  8  22881.3000000             -0.0002665839     
  9   9920.4500000             -0.0005559679     
 10   4499.9200000             -0.001293282      
 11   2116.7500000             -0.002695009      
 12   1026.0600000             -0.006381528      
 13    510.2570000             -0.01210982       
 14    259.5320000             -0.02625689       
 15    134.7090000             -0.03787767       
 16     71.2104000             -0.06283789       
 17     38.2496000             -0.01409767       
 18     20.8102000              0.01527717       
 19     11.4158000              0.3657945        
 20      6.2730200              0.4139635        
 21      3.4217700              0.003465761      
 22      1.8304400             -2.1710400        
 23      0.9452350              0.5191237        
 24      0.4759280              3.3917220        
 25      0.1863810             -4.9828040        
 26      0.1067680              1.6527780        
 27      0.0499790              2.6936830        
S   27
  1      1.28349E+08           -9.534105E-07     
  2      2.29044E+07           -2.320734E-06     
  3      5.10777E+06           -6.598483E-06     
  4      1.36528E+06           -1.579531E-05     
  5 422228.0000000             -3.513656E-05     
  6 146685.0000000             -7.763263E-05     
  7  55872.3000000             -0.0001562748     
  8  22881.3000000             -0.0003611841     
  9   9920.4500000             -0.0006895381     
 10   4499.9200000             -0.001804534      
 11   2116.7500000             -0.003226883      
 12   1026.0600000             -0.009168809      
 13    510.2570000             -0.01391968       
 14    259.5320000             -0.03951576       
 15    134.7090000             -0.03886446       
 16     71.2104000             -0.1101614        
 17     38.2496000              0.03633212       
 18     20.8102000             -0.08353228       
 19     11.4158000              0.7752076        
 20      6.2730200              0.3636147        
 21      3.4217700             -0.2488450        
 22      1.8304400             -4.9880880        
 23      0.9452350              8.8278190        
 24      0.4759280             -5.6118930        
 25      0.1863810             -1.7489600        
 26      0.1067680              6.6204950        
 27      0.0499790             -6.0660540        
S   1
  1      0.0235010              1.0000000        
P   19
  1  67602.1000000              0.0000170        
  2  16330.1000000              0.0000560        
  3   5149.5900000              0.0002280        
  4   1950.0300000              0.0008130        
  5    834.4630000              0.0027730        
  6    386.9900000              0.0086180        
  7    189.3720000              0.0243890        
  8     96.2845000              0.0613800        
  9     50.4640000              0.1315120        
 10     27.1483000              0.2254540        
 11     14.9256000              0.2991520        
 12      8.3161700              0.2750970        
 13      4.6208600              0.1389430        
 14      2.5113800              0.0274120        
 15      1.3309100             -0.0003570        
 16      0.6904150             -0.0016060        
 17      0.3432070             -0.0007230        
 18      0.1459030             -0.0000470        
 19      0.0629230             -0.0000080        
P   19
  1  67602.1000000             -0.0000060        
  2  16330.1000000             -0.0000190        
  3   5149.5900000             -0.0000780        
  4   1950.0300000             -0.0002780        
  5    834.4630000             -0.0009500        
  6    386.9900000             -0.0029650        
  7    189.3720000             -0.0084780        
  8     96.2845000             -0.0217270        
  9     50.4640000             -0.0479100        
 10     27.1483000             -0.0848350        
 11     14.9256000             -0.1182250        
 12      8.3161700             -0.1095570        
 13      4.6208600              0.0179470        
 14      2.5113800              0.2471120        
 15      1.3309100              0.4021140        
 16      0.6904150              0.3402800        
 17      0.3432070              0.1277560        
 18      0.1459030              0.0116850        
 19      0.0629230              0.0003950        
P   19
  1  67602.1000000              0.0000010        
  2  16330.1000000              0.0000050        
  3   5149.5900000              0.0000190        
  4   1950.0300000              0.0000670        
  5    834.4630000              0.0002300        
  6    386.9900000              0.0007130        
  7    189.3720000              0.0020570        
  8     96.2845000              0.0052380        
  9     50.4640000              0.0116840        
 10     27.1483000              0.0205230        
 11     14.9256000              0.0292840        
 12      8.3161700              0.0263730        
 13      4.6208600             -0.0065840        
 14      2.5113800             -0.0738030        
 15      1.3309100             -0.1194390        
 16      0.6904150             -0.1240420        
 17      0.3432070              0.0379050        
 18      0.1459030              0.3730470        
 19      0.0629230              0.5239770        
P   19
  1  67602.1000000              0.0000020        
  2  16330.1000000              0.0000060        
  3   5149.5900000              0.0000240        
  4   1950.0300000              0.0000840        
  5    834.4630000              0.0002890        
  6    386.9900000              0.0008970        
  7    189.3720000              0.0025820        
  8     96.2845000              0.0065830        
  9     50.4640000              0.0146450        
 10     27.1483000              0.0257980        
 11     14.9256000              0.0366620        
 12      8.3161700              0.0334130        
 13      4.6208600             -0.0073480        
 14      2.5113800             -0.0897590        
 15      1.3309100             -0.1469230        
 16      0.6904150             -0.1705400        
 17      0.3432070              0.0258650        
 18      0.1459030              0.6050070        
 19      0.0629230              0.4600060        
P   19
  1  67602.1000000              0.0000040        
  2  16330.1000000              0.0000110        
  3   5149.5900000              0.0000490        
  4   1950.0300000              0.0001630        
  5    834.4630000              0.0006020        
  6    386.9900000              0.0017350        
  7    189.3720000              0.0053940        
  8     96.2845000              0.0126850        
  9     50.4640000              0.0308350        
 10     27.1483000              0.0487250        
 11     14.9256000              0.0823030        
 12      8.3161700              0.0594740        
 13      4.6208600              0.0086460        
 14      2.5113800             -0.2621160        
 15      1.3309100             -0.3935920        
 16      0.6904150             -0.2871610        
 17      0.3432070              1.2506070        
 18      0.1459030              0.2254460        
 19      0.0629230             -0.8781090        
P   19
  1  67602.1000000             -0.0000040        
  2  16330.1000000             -0.0000160        
  3   5149.5900000             -0.0000560        
  4   1950.0300000             -0.0002410        
  5    834.4630000             -0.0006620        
  6    386.9900000             -0.0026190        
  7    189.3720000             -0.0058290        
  8     96.2845000             -0.0193560        
  9     50.4640000             -0.0319690        
 10     27.1483000             -0.0805560        
 11     14.9256000             -0.0704160        
 12      8.3161700             -0.1831570        
 13      4.6208600              0.1115480        
 14      2.5113800              0.3981650        
 15      1.3309100              1.0931130        
 16      0.6904150             -1.8838240        
 17      0.3432070             -0.2273100        
 18      0.1459030              1.8732010        
 19      0.0629230             -1.1618350        
P   19
  1  67602.1000000             -0.0000060        
  2  16330.1000000             -0.0000190        
  3   5149.5900000             -0.0000870        
  4   1950.0300000             -0.0002700        
  5    834.4630000             -0.0010940        
  6    386.9900000             -0.0028450        
  7    189.3720000             -0.0098880        
  8     96.2845000             -0.0208950        
  9     50.4640000             -0.0577290        
 10     27.1483000             -0.0780440        
 11     14.9256000             -0.1627120        
 12      8.3161700             -0.1599950        
 13      4.6208600              0.0926730        
 14      2.5113800              1.5778810        
 15      1.3309100             -0.8678530        
 16      0.6904150             -2.5562590        
 17      0.3432070              4.0136040        
 18      0.1459030             -2.7955480        
 19      0.0629230              0.8804900        
P   1
  1      0.0268830              1.0000000        
D   11
  1    315.8080000              0.0002050        
  2     93.6334000              0.0018340        
  3     36.0393000              0.0095670        
  4     15.6258000              0.0329840        
  5      7.2005900              0.0872900        
  6      3.4805900              0.1761900        
  7      1.7098600              0.2606360        
  8      0.8329620              0.2990220        
  9      0.3976410              0.2693220        
 10      0.1841450              0.1762820        
 11      0.0821190              0.0656500        
D   11
  1    315.8080000             -0.0002170        
  2     93.6334000             -0.0019460        
  3     36.0393000             -0.0101870        
  4     15.6258000             -0.0353910        
  5      7.2005900             -0.0959860        
  6      3.4805900             -0.1908580        
  7      1.7098600             -0.2515260        
  8      0.8329620             -0.1781850        
  9      0.3976410              0.1286570        
 10      0.1841450              0.4500970        
 11      0.0821190              0.3818610        
D   11
  1    315.8080000             -0.0003380        
  2     93.6334000             -0.0030140        
  3     36.0393000             -0.0159950        
  4     15.6258000             -0.0560850        
  5      7.2005900             -0.1575950        
  6      3.4805900             -0.2972960        
  7      1.7098600             -0.2699670        
  8      0.8329620              0.2244730        
  9      0.3976410              0.6824160        
 10      0.1841450              0.0013190        
 11      0.0821190             -0.5971310        
D   11
  1    315.8080000             -0.0004460        
  2     93.6334000             -0.0038100        
  3     36.0393000             -0.0212090        
  4     15.6258000             -0.0727570        
  5      7.2005900             -0.2287970        
  6      3.4805900             -0.3698700        
  7      1.7098600             -0.0120350        
  8      0.8329620              0.9990860        
  9      0.3976410             -0.2211580        
 10      0.1841450             -1.0290000        
 11      0.0821190              0.6624090        
D   11
  1    315.8080000              0.0005350        
  2     93.6334000              0.0056360        
  3     36.0393000              0.0266230        
  4     15.6258000              0.1140920        
  5      7.2005900              0.3131230        
  6      3.4805900              0.4547320        
  7      1.7098600             -0.9829330        
  8      0.8329620             -0.3904280        
  9      0.3976410              1.8432160        
 10      0.1841450             -1.5757380        
 11      0.0821190              0.2036060        
D   1
  1      0.0344420              1.0000000        
F   1
  1      4.6502000              1.0000000        
F   1
  1      1.5639000              1.0000000        
F   1
  1      0.5260000              1.0000000        
F   1
  1      0.1769000              1.0000000        
G   1
  1      3.3854000              1.0000000        
G   1
  1      1.0918000              1.0000000        
G   1
  1      0.3521000              1.0000000        
H   1
  1      2.4305000              1.0000000        
H   1
  1      0.6908000              1.0000000        
I   1
  1      1.5368000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   27
  1      1.35540E+08            7.988356E-06     
  2      2.42404E+07            1.931266E-05     
  3      5.41227E+06            5.501981E-05     
  4      1.44792E+06            0.0001302212     
  5 448199.0000000              0.0002927924     
  6 155899.0000000              0.00062447       
  7  59479.6000000              0.001312315      
  8  24408.1000000              0.002757895      
  9  10607.0000000              0.005886864      
 10   4823.0800000              0.01275334       
 11   2274.0800000              0.02764037       
 12   1104.5400000              0.0580299        
 13    550.0990000              0.1129400        
 14    280.0100000              0.1914790        
 15    145.3300000              0.2553998        
 16     76.7551000              0.2241805        
 17     41.1594000              0.1046212        
 18     22.3445000              0.05226127       
 19     12.2293000              0.0943261        
 20      6.7077700              0.08989426       
 21      3.6569400              0.02958319       
 22      1.9597800              0.00260282       
 23      1.0175800              0.0001529062     
 24      0.5129130             -3.148845E-05     
 25      0.1947980              3.298129E-06     
 26      0.1109690              1.448278E-05     
 27      0.0521230              2.195862E-05     
S   27
  1      1.35540E+08           -4.423503E-06     
  2      2.42404E+07           -1.069522E-05     
  3      5.41227E+06           -3.047394E-05     
  4      1.44792E+06           -7.21459E-05      
  5 448199.0000000             -0.0001622872     
  6 155899.0000000             -0.0003463873     
  7  59479.6000000             -0.0007287714     
  8  24408.1000000             -0.001534531      
  9  10607.0000000             -0.003285742      
 10   4823.0800000             -0.007158385      
 11   2274.0800000             -0.01567068       
 12   1104.5400000             -0.03354476       
 13    550.0990000             -0.0677352        
 14    280.0100000             -0.1233915        
 15    145.3300000             -0.1891323        
 16     76.7551000             -0.2118809        
 17     41.1594000             -0.1088253        
 18     22.3445000              0.1418616        
 19     12.2293000              0.4340020        
 20      6.7077700              0.4205940        
 21      3.6569400              0.1383169        
 22      1.9597800              0.01178943       
 23      1.0175800             -0.0005634646     
 24      0.5129130             -0.0006341974     
 25      0.1947980             -6.242247E-05     
 26      0.1109690              0.0001024304     
 27      0.0521230              8.812774E-05     
S   27
  1      1.35540E+08            9.507938E-07     
  2      2.42404E+07            2.29903E-06      
  3      5.41227E+06            6.55129E-06      
  4      1.44792E+06            1.551391E-05     
  5 448199.0000000              3.490796E-05     
  6 155899.0000000              7.456195E-05     
  7  59479.6000000              0.0001569865     
  8  24408.1000000              0.0003311904     
  9  10607.0000000              0.0007105562     
 10   4823.0800000              0.001556112      
 11   2274.0800000              0.003430565      
 12   1104.5400000              0.007463144      
 13    550.0990000              0.01547014       
 14    280.0100000              0.02968119       
 15    145.3300000              0.04946573       
 16     76.7551000              0.06298093       
 17     41.1594000              0.03446065       
 18     22.3445000             -0.06854433       
 19     12.2293000             -0.2618341        
 20      6.7077700             -0.3734862        
 21      3.6569400             -0.09374652       
 22      1.9597800              0.4031850        
 23      1.0175800              0.5928442        
 24      0.5129130              0.2710006        
 25      0.1947980              0.02094043       
 26      0.1109690             -0.003769577      
 27      0.0521230              0.003102853      
S   27
  1      1.35540E+08           -2.169298E-07     
  2      2.42404E+07           -5.245406E-07     
  3      5.41227E+06           -1.494719E-06     
  4      1.44792E+06           -3.539655E-06     
  5 448199.0000000             -7.964466E-06     
  6 155899.0000000             -1.701262E-05     
  7  59479.6000000             -3.581758E-05     
  8  24408.1000000             -7.557175E-05     
  9  10607.0000000             -0.0001621265     
 10   4823.0800000             -0.0003551212     
 11   2274.0800000             -0.0007829176     
 12   1104.5400000             -0.001703819      
 13    550.0990000             -0.003533391      
 14    280.0100000             -0.006786357      
 15    145.3300000             -0.01133321       
 16     76.7551000             -0.01448465       
 17     41.1594000             -0.007973652      
 18     22.3445000              0.0160128        
 19     12.2293000              0.06326731       
 20      6.7077700              0.09472229       
 21      3.6569400              0.02146664       
 22      1.9597800             -0.1199792        
 23      1.0175800             -0.2179553        
 24      0.5129130             -0.2049556        
 25      0.1947980              0.02536035       
 26      0.1109690              0.4083642        
 27      0.0521230              0.5538116        
S   27
  1      1.35540E+08           -4.324902E-07     
  2      2.42404E+07           -1.04551E-06      
  3      5.41227E+06           -2.980671E-06     
  4      1.44792E+06           -7.052143E-06     
  5 448199.0000000             -1.58966E-05      
  6 155899.0000000             -3.383913E-05     
  7  59479.6000000             -7.168719E-05     
  8  24408.1000000             -0.000149717      
  9  10607.0000000             -0.0003261726     
 10   4823.0800000             -0.0006995308     
 11   2274.0800000             -0.00158454       
 12   1104.5400000             -0.003337475      
 13    550.0990000             -0.007202878      
 14    280.0100000             -0.01318455       
 15    145.3300000             -0.02352663       
 16     76.7551000             -0.02711642       
 17     41.1594000             -0.0202532        
 18     22.3445000              0.04086224       
 19     12.2293000              0.1151279        
 20      6.7077700              0.2357592        
 21      3.6569400             -0.01495497       
 22      1.9597800             -0.2568686        
 23      1.0175800             -0.7608963        
 24      0.5129130              0.1231665        
 25      0.1947980              1.3336790        
 26      0.1109690              0.3116838        
 27      0.0521230             -0.7120654        
S   27
  1      1.35540E+08           -6.655637E-07     
  2      2.42404E+07           -1.608754E-06     
  3      5.41227E+06           -4.587504E-06     
  4      1.44792E+06           -1.08491E-05      
  5 448199.0000000             -2.447725E-05     
  6 155899.0000000             -5.20181E-05      
  7  59479.6000000             -0.0001105326     
  8  24408.1000000             -0.0002297131     
  9  10607.0000000             -0.000504199      
 10   4823.0800000             -0.001070484      
 11   2274.0800000             -0.00245684       
 12   1104.5400000             -0.005096075      
 13    550.0990000             -0.01121471       
 14    280.0100000             -0.02008902       
 15    145.3300000             -0.03704662       
 16     76.7551000             -0.04084003       
 17     41.1594000             -0.03465912       
 18     22.3445000              0.07017551       
 19     12.2293000              0.1839111        
 20      6.7077700              0.4352639        
 21      3.6569400             -0.1145446        
 22      1.9597800             -0.7658490        
 23      1.0175800             -1.3228080        
 24      0.5129130              2.3125880        
 25      0.1947980              1.1444920        
 26      0.1109690             -2.7281420        
 27      0.0521230              0.1723585        
S   27
  1      1.35540E+08            8.351431E-07     
  2      2.42404E+07            2.021012E-06     
  3      5.41227E+06            5.750406E-06     
  4      1.44792E+06            1.365756E-05     
  5 448199.0000000              3.055438E-05     
  6 155899.0000000              6.599075E-05     
  7  59479.6000000              0.0001362312     
  8  24408.1000000              0.0002968797     
  9  10607.0000000              0.0006067803     
 10   4823.0800000              0.001420496      
 11   2274.0800000              0.002878306      
 12   1104.5400000              0.006948735      
 13    550.0990000              0.01275716       
 14    280.0100000              0.02863296       
 15    145.3300000              0.03931614       
 16     76.7551000              0.06960472       
 17     41.1594000              0.007792521      
 18     22.3445000             -0.01205026       
 19     12.2293000             -0.4427734        
 20      6.7077700             -0.3877571        
 21      3.6569400              0.1015322        
 22      1.9597800              2.4134830        
 23      1.0175800             -1.3135760        
 24      0.5129130             -2.6704710        
 25      0.1947980              5.1440310        
 26      0.1109690             -2.5322670        
 27      0.0521230             -2.0012780        
S   27
  1      1.35540E+08           -1.037822E-06     
  2      2.42404E+07           -2.51344E-06      
  3      5.41227E+06           -7.141104E-06     
  4      1.44792E+06           -1.700894E-05     
  5 448199.0000000             -3.783814E-05     
  6 155899.0000000             -8.261133E-05     
  7  59479.6000000             -0.0001672367     
  8  24408.1000000             -0.0003762776     
  9  10607.0000000             -0.0007322734     
 10   4823.0800000             -0.001831629      
 11   2274.0800000             -0.003406227      
 12   1104.5400000             -0.009120497      
 13    550.0990000             -0.01478319       
 14    280.0100000             -0.03866482       
 15    145.3300000             -0.04311799       
 16     76.7551000             -0.1032378        
 17     41.1594000              0.02075082       
 18     22.3445000             -0.03914516       
 19     12.2293000              0.7650270        
 20      6.7077700              0.4583898        
 21      3.6569400             -0.8162241        
 22      1.9597800             -4.2566620        
 23      1.0175800              8.7954540        
 24      0.5129130             -6.3674240        
 25      0.1947980             -0.07718246       
 26      0.1109690              4.9948380        
 27      0.0521230             -5.5369870        
S   1
  1      0.0244890              1.0000000        
P   19
  1  72029.6000000              0.0000180        
  2  17890.9000000              0.0000580        
  3   5678.2800000              0.0002350        
  4   2138.7500000              0.0008390        
  5    905.8550000              0.0028990        
  6    415.6450000              0.0091160        
  7    201.6950000              0.0259650        
  8    102.0400000              0.0652290        
  9     53.3955000              0.1381920        
 10     28.7570000              0.2329390        
 11     15.8536000              0.3018830        
 12      8.8638500              0.2665600        
 13      4.9433400              0.1274760        
 14      2.6973200              0.0235560        
 15      1.4364300             -0.0004170        
 16      0.7485180             -0.0014190        
 17      0.3733100             -0.0006110        
 18      0.1577460             -0.0000370        
 19      0.0674450             -0.0000060        
P   19
  1  72029.6000000             -0.0000060        
  2  17890.9000000             -0.0000200        
  3   5678.2800000             -0.0000810        
  4   2138.7500000             -0.0002910        
  5    905.8550000             -0.0010080        
  6    415.6450000             -0.0031870        
  7    201.6950000             -0.0091780        
  8    102.0400000             -0.0235020        
  9     53.3955000             -0.0513060        
 10     28.7570000             -0.0894510        
 11     15.8536000             -0.1220480        
 12      8.8638500             -0.1053490        
 13      4.9433400              0.0349420        
 14      2.6973200              0.2633420        
 15      1.4364300              0.4014720        
 16      0.7485180              0.3252750        
 17      0.3733100              0.1179790        
 18      0.1577460              0.0104140        
 19      0.0674450              0.0003090        
P   19
  1  72029.6000000              0.0000020        
  2  17890.9000000              0.0000050        
  3   5678.2800000              0.0000190        
  4   2138.7500000              0.0000680        
  5    905.8550000              0.0002390        
  6    415.6450000              0.0007500        
  7    201.6950000              0.0021780        
  8    102.0400000              0.0055440        
  9     53.3955000              0.0122430        
 10     28.7570000              0.0211740        
 11     15.8536000              0.0296210        
 12      8.8638500              0.0246650        
 13      4.9433400             -0.0108710        
 14      2.6973200             -0.0772030        
 15      1.4364300             -0.1173230        
 16      0.7485180             -0.1154640        
 17      0.3733100              0.0466460        
 18      0.1577460              0.3726460        
 19      0.0674450              0.5199920        
P   19
  1  72029.6000000              0.0000020        
  2  17890.9000000              0.0000060        
  3   5678.2800000              0.0000250        
  4   2138.7500000              0.0000880        
  5    905.8550000              0.0003080        
  6    415.6450000              0.0009680        
  7    201.6950000              0.0028070        
  8    102.0400000              0.0071480        
  9     53.3955000              0.0157580        
 10     28.7570000              0.0273110        
 11     15.8536000              0.0381310        
 12      8.8638500              0.0321240        
 13      4.9433400             -0.0130760        
 14      2.6973200             -0.0972130        
 15      1.4364300             -0.1500190        
 16      0.7485180             -0.1633260        
 17      0.3733100              0.0542490        
 18      0.1577460              0.6112600        
 19      0.0674450              0.4390970        
P   19
  1  72029.6000000              0.0000040        
  2  17890.9000000              0.0000120        
  3   5678.2800000              0.0000530        
  4   2138.7500000              0.0001780        
  5    905.8550000              0.0006580        
  6    415.6450000              0.0019430        
  7    201.6950000              0.0060100        
  8    102.0400000              0.0142900        
  9     53.3955000              0.0340490        
 10     28.7570000              0.0535590        
 11     15.8536000              0.0880820        
 12      8.8638500              0.0596580        
 13      4.9433400             -0.0075160        
 14      2.6973200             -0.3010680        
 15      1.4364300             -0.4037260        
 16      0.7485180             -0.1805400        
 17      0.3733100              1.2490040        
 18      0.1577460              0.1136350        
 19      0.0674450             -0.8277730        
P   19
  1  72029.6000000              0.0000050        
  2  17890.9000000              0.0000170        
  3   5678.2800000              0.0000630        
  4   2138.7500000              0.0002590        
  5    905.8550000              0.0007560        
  6    415.6450000              0.0028670        
  7    201.6950000              0.0068170        
  8    102.0400000              0.0213860        
  9     53.3955000              0.0371400        
 10     28.7570000              0.0867790        
 11     15.8536000              0.0821420        
 12      8.8638500              0.1832060        
 13      4.9433400             -0.1563700        
 14      2.6973200             -0.5064860        
 15      1.4364300             -0.8977050        
 16      0.7485180              1.9776090        
 17      0.3733100             -0.0784390        
 18      0.1577460             -1.6907600        
 19      0.0674450              1.1510650        
P   19
  1  72029.6000000             -0.0000070        
  2  17890.9000000             -0.0000210        
  3   5678.2800000             -0.0000960        
  4   2138.7500000             -0.0002840        
  5    905.8550000             -0.0012270        
  6    415.6450000             -0.0030680        
  7    201.6950000             -0.0113470        
  8    102.0400000             -0.0225260        
  9     53.3955000             -0.0663840        
 10     28.7570000             -0.0792560        
 11     15.8536000             -0.1962790        
 12      8.8638500             -0.1328260        
 13      4.9433400              0.2007610        
 14      2.6973200              1.6694880        
 15      1.4364300             -1.5147710        
 16      0.7485180             -1.7673040        
 17      0.3733100              3.6122160        
 18      0.1577460             -2.7767190        
 19      0.0674450              1.0038450        
P   1
  1      0.0285490              1.0000000        
D   11
  1    408.6230000              0.0001600        
  2    120.7610000              0.0014480        
  3     46.4460000              0.0078230        
  4     20.2390000              0.0281850        
  5      9.3638100              0.0772900        
  6      4.5309400              0.1641140        
  7      2.2314000              0.2548640        
  8      1.0877600              0.3022260        
  9      0.5173840              0.2792280        
 10      0.2371640              0.1870480        
 11      0.1033080              0.0708990        
D   11
  1    408.6230000             -0.0001810        
  2    120.7610000             -0.0016430        
  3     46.4460000             -0.0089270        
  4     20.2390000             -0.0323460        
  5      9.3638100             -0.0912500        
  6      4.5309400             -0.1928490        
  7      2.2314000             -0.2645410        
  8      1.0877600             -0.1867400        
  9      0.5173840              0.1269280        
 10      0.2371640              0.4503720        
 11      0.1033080              0.3818950        
D   11
  1    408.6230000             -0.0002610        
  2    120.7610000             -0.0023550        
  3     46.4460000             -0.0129600        
  4     20.2390000             -0.0472650        
  5      9.3638100             -0.1386330        
  6      4.5309400             -0.2864130        
  7      2.2314000             -0.2875130        
  8      1.0877600              0.1816790        
  9      0.5173840              0.6898620        
 10      0.2371640              0.0343680        
 11      0.1033080             -0.6335340        
D   11
  1    408.6230000             -0.0003830        
  2    120.7610000             -0.0032790        
  3     46.4460000             -0.0190900        
  4     20.2390000             -0.0677960        
  5      9.3638100             -0.2245640        
  6      4.5309400             -0.4060110        
  7      2.2314000             -0.0277500        
  8      1.0877600              0.9973750        
  9      0.5173840             -0.1697640        
 10      0.2371640             -1.0397890        
 11      0.1033080              0.6710790        
D   11
  1    408.6230000              0.0004370        
  2    120.7610000              0.0045890        
  3     46.4460000              0.0227170        
  4     20.2390000              0.0996160        
  5      9.3638100              0.3058450        
  6      4.5309400              0.4774610        
  7      2.2314000             -0.9325180        
  8      1.0877600             -0.4753000        
  9      0.5173840              1.8742470        
 10      0.2371640             -1.5688730        
 11      0.1033080              0.2238730        
D   1
  1      0.0414480              1.0000000        
F   1
  1      5.5809000              1.0000000        
F   1
  1      1.8872000              1.0000000        
F   1
  1      0.6382000              1.0000000        
F   1
  1      0.2158000              1.0000000        
G   1
  1      4.0728000              1.0000000        
G   1
  1      1.3180000              1.0000000        
G   1
  1      0.4265000              1.0000000        
H   1
  1      2.9754000              1.0000000        
H   1
  1      0.8661000              1.0000000        
I   1
  1      2.0805000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   27
  1      1.37766E+08            9.175881E-06     
  2      2.45640E+07            2.220837E-05     
  3      5.47999E+06            6.312902E-05     
  4      1.46664E+06            0.000149043      
  5 454421.0000000              0.000334252      
  6 158216.0000000              0.0007110598     
  7  60404.3000000              0.001490706      
  8  24793.6000000              0.003125433      
  9  10772.3000000              0.00665555       
 10   4895.5400000              0.01438106       
 11   2306.5600000              0.03106181       
 12   1119.5600000              0.06485971       
 13    557.3810000              0.1250063        
 14    283.7780000              0.2083100        
 15    147.4360000              0.2695263        
 16     78.0227000              0.2254809        
 17     41.9679000              0.09819842       
 18     22.8778000              0.04363582       
 19     12.5845000              0.0696258        
 20      6.9417000              0.05919984       
 21      3.8062900              0.01745965       
 22      2.0503100              0.001273075      
 23      1.0683800             -8.199702E-05     
 24      0.5366060             -8.846319E-05     
 25      0.1832600             -6.838112E-07     
 26      0.1052970              9.2988E-06       
 27      0.0514640              1.077915E-05     
S   27
  1      1.37766E+08           -4.381338E-06     
  2      2.45640E+07           -1.060525E-05     
  3      5.47999E+06           -3.015144E-05     
  4      1.46664E+06           -7.120841E-05     
  5 454421.0000000             -0.0001597824     
  6 158216.0000000             -0.000340203      
  7  60404.3000000             -0.0007142262     
  8  24793.6000000             -0.001500807      
  9  10772.3000000             -0.003208026      
 10   4895.5400000             -0.006976942      
 11   2306.5600000             -0.01525116       
 12   1119.5600000             -0.0325723        
 13    557.3810000             -0.06555716       
 14    283.7780000             -0.1186999        
 15    147.4360000             -0.1799524        
 16     78.0227000             -0.1951121        
 17     41.9679000             -0.08217273       
 18     22.8778000              0.1808616        
 19     12.5845000              0.4586460        
 20      6.9417000              0.3972272        
 21      3.8062900              0.1168848        
 22      2.0503100              0.007958495      
 23      1.0683800             -0.002092204      
 24      0.5366060             -0.001135142      
 25      0.1832600             -7.879372E-05     
 26      0.1052970              0.0001025231     
 27      0.0514640              5.410158E-05     
S   27
  1      1.37766E+08            1.068287E-06     
  2      2.45640E+07            2.586031E-06     
  3      5.47999E+06            7.352933E-06     
  4      1.46664E+06            1.736941E-05     
  5 454421.0000000              3.898542E-05     
  6 158216.0000000              8.306111E-05     
  7  60404.3000000              0.0001744949     
  8  24793.6000000              0.0003673057     
  9  10772.3000000              0.0007865417     
 10   4895.5400000              0.001718715      
 11   2306.5600000              0.00378089       
 12   1119.5600000              0.008193983      
 13    557.3810000              0.01688439       
 14    283.7780000              0.03203007       
 15    147.4360000              0.05227776       
 16     78.0227000              0.06329496       
 17     41.9679000              0.02730142       
 18     22.8778000             -0.08717741       
 19     12.5845000             -0.2875772        
 20      6.9417000             -0.3628884        
 21      3.8062900             -0.04215027       
 22      2.0503100              0.4388709        
 23      1.0683800              0.5771293        
 24      0.5366060              0.2387704        
 25      0.1832600              0.01570217       
 26      0.1052970             -0.004203808      
 27      0.0514640              0.003045068      
S   27
  1      1.37766E+08           -2.38094E-07      
  2      2.45640E+07           -5.763617E-07     
  3      5.47999E+06           -1.638783E-06     
  4      1.46664E+06           -3.871248E-06     
  5 454421.0000000             -8.688905E-06     
  6 158216.0000000             -1.851283E-05     
  7  60404.3000000             -3.889181E-05     
  8  24793.6000000             -8.18682E-05      
  9  10772.3000000             -0.0001753253     
 10   4895.5400000             -0.000383106      
 11   2306.5600000             -0.0008430459     
 12   1119.5600000             -0.001827049      
 13    557.3810000             -0.003768381      
 14    283.7780000             -0.0071523        
 15    147.4360000             -0.01170913       
 16     78.0227000             -0.01421051       
 17     41.9679000             -0.006206358      
 18     22.8778000              0.02000513       
 19     12.5845000              0.06799373       
 20      6.9417000              0.09008027       
 21      3.8062900              0.006726841      
 22      2.0503100             -0.1266192        
 23      1.0683800             -0.2141210        
 24      0.5366060             -0.1856184        
 25      0.1832600              0.0909400        
 26      0.1052970              0.4118037        
 27      0.0514640              0.5094118        
S   27
  1      1.37766E+08           -4.84787E-07      
  2      2.45640E+07           -1.173096E-06     
  3      5.47999E+06           -3.337866E-06     
  4      1.46664E+06           -7.874209E-06     
  5 454421.0000000             -1.77214E-05      
  6 158216.0000000             -3.756312E-05     
  7  60404.3000000             -7.964774E-05     
  8  24793.6000000             -0.000165119      
  9  10772.3000000             -0.0003618268     
 10   4895.5400000             -0.0007660144     
 11   2306.5600000             -0.00175539       
 12   1119.5600000             -0.003620866      
 13    557.3810000             -0.007932822      
 14    283.7780000             -0.01397326       
 15    147.4360000             -0.02536594       
 16     78.0227000             -0.02583964       
 17     41.9679000             -0.01989071       
 18     22.8778000              0.05587662       
 19     12.5845000              0.1164236        
 20      6.9417000              0.2517457        
 21      3.8062900             -0.08002852       
 22      2.0503100             -0.2433200        
 23      1.0683800             -0.8158726        
 24      0.5366060              0.3234709        
 25      0.1832600              1.5214530        
 26      0.1052970             -0.1148130        
 27      0.0514640             -0.6387061        
S   27
  1      1.37766E+08           -7.512011E-07     
  2      2.45640E+07           -1.817618E-06     
  3      5.47999E+06           -5.172616E-06     
  4      1.46664E+06           -1.21987E-05      
  5 454421.0000000             -2.747141E-05     
  6 158216.0000000             -5.816137E-05     
  7  60404.3000000             -0.0001235878     
  8  24793.6000000             -0.0002553343     
  9  10772.3000000             -0.0005624479     
 10   4895.5400000             -0.001182468      
 11   2306.5600000             -0.002734688      
 12   1119.5600000             -0.005582357      
 13    557.3810000             -0.01239937       
 14    283.7780000             -0.0215283        
 15    147.4360000             -0.04003117       
 16     78.0227000             -0.03951846       
 17     41.9679000             -0.03357302       
 18     22.8778000              0.09316877       
 19     12.5845000              0.1936863        
 20      6.9417000              0.4576255        
 21      3.8062900             -0.2269693        
 22      2.0503100             -0.8205798        
 23      1.0683800             -1.1703670        
 24      0.5366060              2.4796750        
 25      0.1832600              0.5071965        
 26      0.1052970             -2.4559780        
 27      0.0514640              0.4637332        
S   27
  1      1.37766E+08            9.501859E-07     
  2      2.45640E+07            2.302638E-06     
  3      5.47999E+06            6.534031E-06     
  4      1.46664E+06            1.549527E-05     
  5 454421.0000000              3.451419E-05     
  6 158216.0000000              7.462236E-05     
  7  60404.3000000              0.0001527131     
  8  24793.6000000              0.0003356054     
  9  10772.3000000              0.0006735275     
 10   4895.5400000              0.001608663      
 11   2306.5600000              0.003158595      
 12   1119.5600000              0.007873457      
 13    557.3810000              0.01373173       
 14    283.7780000              0.03227593       
 15    147.4360000              0.03976109       
 16     78.0227000              0.07706429       
 17     41.9679000             -0.01214183       
 18     22.8778000             -0.005722879      
 19     12.5845000             -0.5354706        
 20      6.9417000             -0.2928017        
 21      3.8062900              0.09232953       
 22      2.0503100              2.8929030        
 23      1.0683800             -2.5729720        
 24      0.5366060             -1.3308900        
 25      0.1832600              5.1351630        
 26      0.1052970             -3.8523080        
 27      0.0514640             -0.9550986        
S   27
  1      1.37766E+08           -1.128118E-06     
  2      2.45640E+07           -2.733535E-06     
  3      5.47999E+06           -7.758502E-06     
  4      1.46664E+06           -1.839184E-05     
  5 454421.0000000             -4.099951E-05     
  6 158216.0000000             -8.851677E-05     
  7  60404.3000000             -0.0001816369     
  8  24793.6000000             -0.0003975353     
  9  10772.3000000             -0.0008030675     
 10   4895.5400000             -0.001902448      
 11   2306.5600000             -0.003779167      
 12   1119.5600000             -0.009307704      
 13    557.3810000             -0.0165406        
 14    283.7780000             -0.03821704       
 15    147.4360000             -0.04887395       
 16     78.0227000             -0.09128293       
 17     41.9679000              0.008491437      
 18     22.8778000              0.02611301       
 19     12.5845000              0.7079390        
 20      6.9417000              0.6498609        
 21      3.8062900             -1.5963690        
 22      2.0503100             -3.2731990        
 23      1.0683800              8.6437670        
 24      0.5366060             -7.1910560        
 25      0.1832600              2.6285060        
 26      0.1052970              1.9458760        
 27      0.0514640             -4.4344500        
S   1
  1      0.0246780              1.0000000        
P   19
  1  79296.8000000              0.0000200        
  2  19317.1000000              0.0000630        
  3   6114.1000000              0.0002480        
  4   2316.2600000              0.0008630        
  5    989.6900000              0.0029100        
  6    457.9420000              0.0090030        
  7    223.6420000              0.0254540        
  8    113.5940000              0.0639330        
  9     59.5621000              0.1361980        
 10     32.1072000              0.2315300        
 11     17.7103000              0.3023300        
 12      9.9062100              0.2689820        
 13      5.5224300              0.1295470        
 14      3.0083200              0.0233200        
 15      1.5987300             -0.0015660        
 16      0.8308680             -0.0023560        
 17      0.4135380             -0.0009350        
 18      0.1712140             -0.0000620        
 19      0.0721220             -0.0000060        
P   19
  1  79296.8000000             -0.0000070        
  2  19317.1000000             -0.0000220        
  3   6114.1000000             -0.0000860        
  4   2316.2600000             -0.0003000        
  5    989.6900000             -0.0010160        
  6    457.9420000             -0.0031590        
  7    223.6420000             -0.0090310        
  8    113.5940000             -0.0231260        
  9     59.5621000             -0.0507790        
 10     32.1072000             -0.0893990        
 11     17.7103000             -0.1228770        
 12      9.9062100             -0.1065140        
 13      5.5224300              0.0357560        
 14      3.0083200              0.2669420        
 15      1.5987300              0.4036250        
 16      0.8308680              0.3225890        
 17      0.4135380              0.1156130        
 18      0.1712140              0.0099950        
 19      0.0721220              0.0001640        
P   19
  1  79296.8000000             -0.0000020        
  2  19317.1000000             -0.0000050        
  3   6114.1000000             -0.0000200        
  4   2316.2600000             -0.0000690        
  5    989.6900000             -0.0002350        
  6    457.9420000             -0.0007240        
  7    223.6420000             -0.0020910        
  8    113.5940000             -0.0053130        
  9     59.5621000             -0.0118180        
 10     32.1072000             -0.0205920        
 11     17.7103000             -0.0290740        
 12      9.9062100             -0.0242130        
 13      5.5224300              0.0103870        
 14      3.0083200              0.0758020        
 15      1.5987300              0.1132510        
 16      0.8308680              0.1107600        
 17      0.4135380             -0.0458160        
 18      0.1712140             -0.3666060        
 19      0.0721220             -0.5209940        
P   19
  1  79296.8000000              0.0000020        
  2  19317.1000000              0.0000070        
  3   6114.1000000              0.0000270        
  4   2316.2600000              0.0000940        
  5    989.6900000              0.0003190        
  6    457.9420000              0.0009840        
  7    223.6420000              0.0028430        
  8    113.5940000              0.0072090        
  9     59.5621000              0.0160560        
 10     32.1072000              0.0279420        
 11     17.7103000              0.0396110        
 12      9.9062100              0.0329680        
 13      5.5224300             -0.0131210        
 14      3.0083200             -0.1026490        
 15      1.5987300             -0.1544890        
 16      0.8308680             -0.1600600        
 17      0.4135380              0.0784490        
 18      0.1712140              0.6163740        
 19      0.0721220              0.4207930        
P   19
  1  79296.8000000              0.0000050        
  2  19317.1000000              0.0000140        
  3   6114.1000000              0.0000580        
  4   2316.2600000              0.0001920        
  5    989.6900000              0.0006960        
  6    457.9420000              0.0020080        
  7    223.6420000              0.0062130        
  8    113.5940000              0.0146760        
  9     59.5621000              0.0353990        
 10     32.1072000              0.0558380        
 11     17.7103000              0.0928570        
 12      9.9062100              0.0627380        
 13      5.5224300             -0.0076120        
 14      3.0083200             -0.3326500        
 15      1.5987300             -0.4106540        
 16      0.8308680             -0.1060750        
 17      0.4135380              1.2223080        
 18      0.1712140              0.0490250        
 19      0.0721220             -0.7934070        
P   19
  1  79296.8000000              0.0000060        
  2  19317.1000000              0.0000200        
  3   6114.1000000              0.0000710        
  4   2316.2600000              0.0002850        
  5    989.6900000              0.0008150        
  6    457.9420000              0.0030400        
  7    223.6420000              0.0071830        
  8    113.5940000              0.0225240        
  9     59.5621000              0.0396270        
 10     32.1072000              0.0922750        
 11     17.7103000              0.0881760        
 12      9.9062100              0.1941840        
 13      5.5224300             -0.1735320        
 14      3.0083200             -0.6083310        
 15      1.5987300             -0.7382110        
 16      0.8308680              2.0243030        
 17      0.4135380             -0.3298290        
 18      0.1712140             -1.4935320        
 19      0.0721220              1.1177440        
P   19
  1  79296.8000000              0.0000080        
  2  19317.1000000              0.0000250        
  3   6114.1000000              0.0001060        
  4   2316.2600000              0.0003420        
  5    989.6900000              0.0012720        
  6    457.9420000              0.0035810        
  7    223.6420000              0.0114470        
  8    113.5940000              0.0264520        
  9     59.5621000              0.0662750        
 10     32.1072000              0.1011730        
 11     17.7103000              0.1824440        
 12      9.9062100              0.2264760        
 13      5.5224300             -0.4191550        
 14      3.0083200             -1.7434020        
 15      1.5987300              2.2743340        
 16      0.8308680              0.6841410        
 17      0.4135380             -2.8576890        
 18      0.1712140              2.5150700        
 19      0.0721220             -1.0349870        
P   1
  1      0.0301100              1.0000000        
D   11
  1    449.7850000              0.0001690        
  2    132.7510000              0.0015380        
  3     50.9528000              0.0083670        
  4     22.1594000              0.0303140        
  5     10.2612000              0.0828020        
  6      4.9780300              0.1723770        
  7      2.4573000              0.2608660        
  8      1.2010100              0.3011350        
  9      0.5725160              0.2713710        
 10      0.2625960              0.1780740        
 11      0.1141400              0.0677740        
D   11
  1    449.7850000             -0.0001730        
  2    132.7510000             -0.0015710        
  3     50.9528000             -0.0085770        
  4     22.1594000             -0.0312520        
  5     10.2612000             -0.0873880        
  6      4.9780300             -0.1828420        
  7      2.4573000             -0.2505620        
  8      1.2010100             -0.1725500        
  9      0.5725160              0.1183370        
 10      0.2625960              0.4199520        
 11      0.1141400              0.4092760        
D   11
  1    449.7850000             -0.0002730        
  2    132.7510000             -0.0024890        
  3     50.9528000             -0.0137240        
  4     22.1594000             -0.0506030        
  5     10.2612000             -0.1473270        
  6      4.9780300             -0.2974210        
  7      2.4573000             -0.2738540        
  8      1.2010100              0.1901550        
  9      0.5725160              0.6286420        
 10      0.2625960              0.1058660        
 11      0.1141400             -0.5751650        
D   11
  1    449.7850000             -0.0003450        
  2    132.7510000             -0.0031230        
  3     50.9528000             -0.0174550        
  4     22.1594000             -0.0644950        
  5     10.2612000             -0.2022090        
  6      4.9780300             -0.4044630        
  7      2.4573000             -0.0249760        
  8      1.2010100              0.9272090        
  9      0.5725160             -0.0725570        
 10      0.2625960             -0.9877520        
 11      0.1141400              0.4393010        
D   11
  1    449.7850000              0.0004430        
  2    132.7510000              0.0041250        
  3     50.9528000              0.0227360        
  4     22.1594000              0.0894400        
  5     10.2612000              0.3004590        
  6      4.9780300              0.4539710        
  7      2.4573000             -0.8298630        
  8      1.2010100             -0.5280360        
  9      0.5725160              1.6092210        
 10      0.2625960             -0.9535770        
 11      0.1141400             -0.3842430        
D   1
  1      0.0456420              1.0000000        
F   1
  1      6.5165000              1.0000000        
F   1
  1      2.2307000              1.0000000        
F   1
  1      0.7636000              1.0000000        
F   1
  1      0.2614000              1.0000000        
G   1
  1      4.8899000              1.0000000        
G   1
  1      1.6140000              1.0000000        
G   1
  1      0.5327000              1.0000000        
H   1
  1      3.5472000              1.0000000        
H   1
  1      1.0636000              1.0000000        
I   1
  1      2.5736000              1.0000000        


