# all_value

name: cc-pV5Z(pt/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   22
  1      1.8282209E+08          2.33669182657E-07      
  2      2.7356156E+07          1.77039832794E-06      
  3      6.2211704E+06          9.08724004414E-06      
  4      1.7602779E+06          3.76483847823E-05      
  5      5.7319382E+05          1.35162717959E-04      
  6      2.0625845E+05          4.37200643059E-04      
  7      8.0026669E+04          1.30435546045E-03      
  8      3.2939084E+04          3.64175001477E-03      
  9      1.4222633E+04          9.57935541658E-03      
 10      6.3930707E+03          2.37150747961E-02      
 11      2.9764538E+03          5.45921060985E-02      
 12      1.4305254E+03          1.13801968129E-01      
 13      7.0792621E+02          2.04422529374E-01      
 14      3.5984847E+02          2.89737950698E-01      
 15      1.8714965E+02          2.76995653785E-01      
 16      9.8634523E+01          1.38844358504E-01      
 17      5.0547869E+01          2.24725021577E-02      
 18      2.7167004E+01         -8.18174113261E-05      
 19      1.4615098E+01          5.04977402306E-04      
 20      7.6513520E+00         -2.63695026947E-04      
 21      3.9972630E+00          8.48275035294E-05      
 22      2.0858530E+00         -7.03546253399E-05      
S   22
  1      1.8282209E+08         -7.57385542863E-08      
  2      2.7356156E+07         -5.73757066289E-07      
  3      6.2211704E+06         -2.94595524140E-06      
  4      1.7602779E+06         -1.22027141237E-05      
  5      5.7319382E+05         -4.38409207896E-05      
  6      2.0625845E+05         -1.41825297502E-04      
  7      8.0026669E+04         -4.23968939142E-04      
  8      3.2939084E+04         -1.18632021802E-03      
  9      1.4222633E+04         -3.14253888982E-03      
 10      6.3930707E+03         -7.87214675072E-03      
 11      2.9764538E+03         -1.86169157892E-02      
 12      1.4305254E+03         -4.07585063657E-02      
 13      7.0792621E+02         -8.07224346437E-02      
 14      3.5984847E+02         -1.35825421113E-01      
 15      1.8714965E+02         -1.72033734527E-01      
 16      9.8634523E+01         -8.81440996017E-02      
 17      5.0547869E+01          2.14333803446E-01      
 18      2.7167004E+01          5.09853865334E-01      
 19      1.4615098E+01          3.72431382754E-01      
 20      7.6513520E+00          8.08691542279E-02      
 21      3.9972630E+00          3.54301940893E-03      
 22      2.0858530E+00          1.38640360970E-03      
S   22
  1      1.8282209E+08          3.04895754357E-08      
  2      2.7356156E+07          2.30957545285E-07      
  3      6.2211704E+06          1.18599147175E-06      
  4      1.7602779E+06          4.91197405568E-06      
  5      5.7319382E+05          1.76513261757E-05      
  6      2.0625845E+05          5.70936929891E-05      
  7      8.0026669E+04          1.70752212309E-04      
  8      3.2939084E+04          4.77818018372E-04      
  9      1.4222633E+04          1.26724112716E-03      
 10      6.3930707E+03          3.17849774678E-03      
 11      2.9764538E+03          7.54653379126E-03      
 12      1.4305254E+03          1.66242247421E-02      
 13      7.0792621E+02          3.33827339847E-02      
 14      3.5984847E+02          5.75248323206E-02      
 15      1.8714965E+02          7.61583962438E-02      
 16      9.8634523E+01          4.09172775162E-02      
 17      5.0547869E+01         -1.21016881060E-01      
 18      2.7167004E+01         -3.82795958146E-01      
 19      1.4615098E+01         -3.79298526263E-01      
 20      7.6513520E+00          1.36744442040E-01      
 21      3.9972630E+00          6.52074402241E-01      
 22      2.0858530E+00          4.56985639969E-01      
S   22
  1      1.8282209E+08         -9.73521456706E-09      
  2      2.7356156E+07         -7.37318357615E-08      
  3      6.2211704E+06         -3.78713473857E-07      
  4      1.7602779E+06         -1.56799464072E-06      
  5      5.7319382E+05         -5.63701437790E-06      
  6      2.0625845E+05         -1.82239961969E-05      
  7      8.0026669E+04         -5.45380843787E-05      
  8      3.2939084E+04         -1.52514227749E-04      
  9      1.4222633E+04         -4.04878343026E-04      
 10      6.3930707E+03         -1.01481040743E-03      
 11      2.9764538E+03         -2.41340857664E-03      
 12      1.4305254E+03         -5.31504220228E-03      
 13      7.0792621E+02         -1.07127720281E-02      
 14      3.5984847E+02         -1.84910637125E-02      
 15      1.8714965E+02         -2.47348858635E-02      
 16      9.8634523E+01         -1.32687988206E-02      
 17      5.0547869E+01          4.04809401229E-02      
 18      2.7167004E+01          1.36114758945E-01      
 19      1.4615098E+01          1.39072462768E-01      
 20      7.6513520E+00         -5.85545382766E-02      
 21      3.9972630E+00         -3.34441441048E-01      
 22      2.0858530E+00         -4.20213965130E-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          3.96246922643E-05      
  2      1.0173723E+04          3.15350430164E-04      
  3      3.3031057E+03          1.72738741109E-03      
  4      1.2635400E+03          7.45505255759E-03      
  5      5.3636546E+02          2.64333294277E-02      
  6      2.4487617E+02          7.73210812053E-02      
  7      1.1799117E+02          1.79157210493E-01      
  8      5.9021248E+01          3.07519079445E-01      
  9      3.0356067E+01          3.42360888473E-01      
 10      1.5819977E+01          1.94570955075E-01      
 11      8.1045800E+00          4.08241845689E-02      
 12      4.0979640E+00          1.91431677419E-03      
 13      2.0560610E+00          1.95393899046E-04      
P   13
  1      4.2993056E+04         -1.62157623667E-05      
  2      1.0173723E+04         -1.29123733102E-04      
  3      3.3031057E+03         -7.09522751462E-04      
  4      1.2635400E+03         -3.07811444837E-03      
  5      5.3636546E+02         -1.10545473506E-02      
  6      2.4487617E+02         -3.31216867741E-02      
  7      1.1799117E+02         -7.98599918370E-02      
  8      5.9021248E+01         -1.44253919694E-01      
  9      3.0356067E+01         -1.65643300939E-01      
 10      1.5819977E+01         -9.48678437651E-03      
 11      8.1045800E+00          3.06954909895E-01      
 12      4.0979640E+00          4.82742935273E-01      
 13      2.0560610E+00          2.89366308903E-01      
P   13
  1      4.2993056E+04          4.40632406374E-06      
  2      1.0173723E+04          3.49952502635E-05      
  3      3.3031057E+03          1.92924502240E-04      
  4      1.2635400E+03          8.35126781474E-04      
  5      5.3636546E+02          3.01330362346E-03      
  6      2.4487617E+02          9.02941837556E-03      
  7      1.1799117E+02          2.19688808581E-02      
  8      5.9021248E+01          3.97963950247E-02      
  9      3.0356067E+01          4.63379242672E-02      
 10      1.5819977E+01         -3.09917819991E-03      
 11      8.1045800E+00         -1.04157541518E-01      
 12      4.0979640E+00         -1.81937587630E-01      
 13      2.0560610E+00         -1.11506561023E-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          5.27679614464E-05      
  2      6.2569371E+02          5.10364487637E-04      
  3      2.4394679E+02          3.07669283226E-03      
  4      1.0842373E+02          1.34040693701E-02      
  5      5.2005216E+01          4.36414229193E-02      
  6      2.6115405E+01          1.10803211209E-01      
  7      1.3546748E+01          2.11675707237E-01      
  8      7.1058100E+00          2.96399740781E-01      
  9      3.7215540E+00          3.07475165532E-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(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: H
data:
HYDROGEN
S   4
  1      4.0200000E+02          2.79447478618E-04      
  2      6.0240000E+01          2.16562283627E-03      
  3      1.3730000E+01          1.12022214750E-02      
  4      3.9050000E+00          4.48798014861E-02      
S   1
  1      1.2830000E+00          1.0000000        
S   1
  1      4.6550000E-01          1.0000000        
S   1
  1      1.8110000E-01          1.0000000        
S   1
  1      7.2790000E-02          1.0000000        
P   1
  1      4.5160000E+00          1.0000000        
P   1
  1      1.7120000E+00          1.0000000        
P   1
  1      6.4900000E-01          1.0000000        
P   1
  1      2.4600000E-01          1.0000000        
D   1
  1      2.9500000E+00          1.0000000        
D   1
  1      1.2060000E+00          1.0000000        
D   1
  1      4.9300000E-01          1.0000000        
F   1
  1      8.7500000E-01          1.0000000        
F   1
  1      2.5060000E+00          1.0000000        
G   1
  1      2.3580000E+00          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: He
data:
HELIUM
S   4
  1      1.1450000E+03          3.58669217454E-04      
  2      1.7170000E+02          2.77177352157E-03      
  3      3.9070000E+01          1.42537422546E-02      
  4      1.1040000E+01          5.55731406470E-02      
S   1
  1      3.5660000E+00          1.0000000        
S   1
  1      1.2400000E+00          1.0000000        
S   1
  1      4.4730000E-01          1.0000000        
S   1
  1      1.6400000E-01          1.0000000        
P   1
  1      1.0153000E+01          1.0000000        
P   1
  1      3.6270000E+00          1.0000000        
P   1
  1      1.2960000E+00          1.0000000        
P   1
  1      4.6300000E-01          1.0000000        
D   1
  1      7.6660000E+00          1.0000000        
D   1
  1      2.6470000E+00          1.0000000        
D   1
  1      9.1400000E-01          1.0000000        
F   1
  1      5.4110000E+00          1.0000000        
F   1
  1      1.7070000E+00          1.0000000        
G   1
  1      3.4300000E+00          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: B
data:
BORON
S   10
  1      6.8260000E+04          2.38569906176E-05      
  2      1.0230000E+04          1.85306847370E-04      
  3      2.3280000E+03          9.72191153777E-04      
  4      6.6040000E+02          4.06353889818E-03      
  5      2.1620000E+02          1.44191461938E-02      
  6      7.8600000E+01          4.39440546514E-02      
  7      3.0980000E+01          1.13119176507E-01      
  8      1.2960000E+01          2.33863157955E-01      
  9      5.6590000E+00          3.53891333558E-01      
 10      2.5560000E+00          3.01375790501E-01      
S   10
  1      6.8260000E+04         -4.81380659208E-06      
  2      1.0230000E+04         -3.75060130806E-05      
  3      2.3280000E+03         -1.96073098912E-04      
  4      6.6040000E+02         -8.25982692588E-04      
  5      2.1620000E+02         -2.92800596586E-03      
  6      7.8600000E+01         -9.15054416877E-03      
  7      3.0980000E+01         -2.41274268328E-02      
  8      1.2960000E+01         -5.47856120609E-02      
  9      5.6590000E+00         -9.69488112575E-02      
 10      2.5560000E+00         -1.37443305057E-01      
S   1
  1      1.1750000E+00          1.0000000        
S   1
  1      4.2490000E-01          1.0000000        
S   1
  1      1.7120000E-01          1.0000000        
S   1
  1      6.9130000E-02          1.0000000        
P   4
  1      6.6440000E+01          8.39512577708E-04      
  2      1.5710000E+01          6.41101968975E-03      
  3      4.9360000E+00          2.80789348832E-02      
  4      1.7700000E+00          9.21361312968E-02      
P   1
  1      7.0080000E-01          1.0000000        
P   1
  1      2.9010000E-01          1.0000000        
P   1
  1      1.2110000E-01          1.0000000        
P   1
  1      4.9730000E-02          1.0000000        
D   1
  1      2.0100000E+00          1.0000000        
D   1
  1      7.9600000E-01          1.0000000        
D   1
  1      3.1600000E-01          1.0000000        
D   1
  1      1.2500000E-01          1.0000000        
F   1
  1      1.2150000E+00          1.0000000        
F   1
  1      5.2500000E-01          1.0000000        
F   1
  1      2.2700000E-01          1.0000000        
G   1
  1      1.1240000E+00          1.0000000        
G   1
  1      4.6100000E-01          1.0000000        
H   1
  1      8.3400000E-01          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: C
data:
CARBON
S   10
  1      9.6770000E+04          2.46218490302E-05      
  2      1.4500000E+04          1.91222552954E-04      
  3      3.3000000E+03          1.00299872703E-03      
  4      9.3580000E+02          4.19500654596E-03      
  5      3.0620000E+02          1.48905267426E-02      
  6      1.1130000E+02          4.53677044278E-02      
  7      4.3900000E+01          1.16601007381E-01      
  8      1.8400000E+01          2.40314107436E-01      
  9      8.0540000E+00          3.58716943231E-01      
 10      3.6370000E+00          2.93716749790E-01      
S   10
  1      9.6770000E+04         -5.25787538195E-06      
  2      1.4500000E+04         -4.09401624342E-05      
  3      3.3000000E+03         -2.14147667903E-04      
  4      9.3580000E+02         -9.01963613902E-04      
  5      3.0620000E+02         -3.20403167130E-03      
  6      1.1130000E+02         -1.00068087041E-02      
  7      4.3900000E+01         -2.64812267939E-02      
  8      1.8400000E+01         -6.02055526576E-02      
  9      8.0540000E+00         -1.07152404070E-01      
 10      3.6370000E+00         -1.44532738904E-01      
S   1
  1      1.6560000E+00          1.0000000        
S   1
  1      6.3330000E-01          1.0000000        
S   1
  1      2.5450000E-01          1.0000000        
S   1
  1      1.0190000E-01          1.0000000        
P   4
  1      1.0180000E+02          8.85978861913E-04      
  2      2.4040000E+01          6.92776110892E-03      
  3      7.5710000E+00          3.14526630839E-02      
  4      2.7320000E+00          1.03498532153E-01      
P   1
  1      1.0850000E+00          1.0000000        
P   1
  1      4.4960000E-01          1.0000000        
P   1
  1      1.8760000E-01          1.0000000        
P   1
  1      7.6060000E-02          1.0000000        
D   1
  1      3.1340000E+00          1.0000000        
D   1
  1      1.2330000E+00          1.0000000        
D   1
  1      4.8500000E-01          1.0000000        
D   1
  1      1.9100000E-01          1.0000000        
F   1
  1      2.0060000E+00          1.0000000        
F   1
  1      8.3800000E-01          1.0000000        
F   1
  1      3.5000000E-01          1.0000000        
G   1
  1      1.7530000E+00          1.0000000        
G   1
  1      6.7800000E-01          1.0000000        
H   1
  1      1.2590000E+00          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: N
data:
NITROGEN
S   10
  1      1.2920000E+05          2.54592771313E-05      
  2      1.9350000E+04          1.97697681100E-04      
  3      4.4040000E+03          1.03713219353E-03      
  4      1.2480000E+03          4.34120125641E-03      
  5      4.0800000E+02          1.54250158704E-02      
  6      1.4820000E+02          4.69623031105E-02      
  7      5.8500000E+01          1.20255306598E-01      
  8      2.4590000E+01          2.45790435876E-01      
  9      1.0810000E+01          3.61278932253E-01      
 10      4.8820000E+00          2.86982501671E-01      
S   10
  1      1.2920000E+05         -5.63941012251E-06      
  2      1.9350000E+04         -4.38829676911E-05      
  3      4.4040000E+03         -2.29757954509E-04      
  4      1.2480000E+03         -9.67669870209E-04      
  5      4.0800000E+02         -3.44671975860E-03      
  6      1.4820000E+02         -1.07517023358E-02      
  7      5.8500000E+01         -2.84822109273E-02      
  8      2.4590000E+01         -6.44222999546E-02      
  9      1.0810000E+01         -1.14620854329E-01      
 10      4.8820000E+00         -1.47761950081E-01      
S   1
  1      2.1950000E+00          1.0000000        
S   1
  1      8.7150000E-01          1.0000000        
S   1
  1      3.5040000E-01          1.0000000        
S   1
  1      1.3970000E-01          1.0000000        
P   4
  1      1.4700000E+02          8.84926140050E-04      
  2      3.4760000E+01          7.01792653206E-03      
  3      1.1000000E+01          3.25314013810E-02      
  4      3.9950000E+00          1.07600219086E-01      
P   1
  1      1.5870000E+00          1.0000000        
P   1
  1      6.5330000E-01          1.0000000        
P   1
  1      2.6860000E-01          1.0000000        
P   1
  1      1.0670000E-01          1.0000000        
D   1
  1      4.6470000E+00          1.0000000        
D   1
  1      1.8130000E+00          1.0000000        
D   1
  1      7.0700000E-01          1.0000000        
D   1
  1      2.7600000E-01          1.0000000        
F   1
  1      2.9420000E+00          1.0000000        
F   1
  1      1.2040000E+00          1.0000000        
F   1
  1      4.9300000E-01          1.0000000        
G   1
  1      2.5110000E+00          1.0000000        
G   1
  1      9.4200000E-01          1.0000000        
H   1
  1      1.7680000E+00          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: O
data:
OXYGEN
S   10
  1      1.6420000E+05          2.65325747973E-05      
  2      2.4590000E+04          2.06117402314E-04      
  3      5.5920000E+03          1.08240600667E-03      
  4      1.5820000E+03          4.54374395837E-03      
  5      5.1610000E+02          1.61673060174E-02      
  6      1.8720000E+02          4.92096718806E-02      
  7      7.3930000E+01          1.25032374064E-01      
  8      3.1220000E+01          2.51779468151E-01      
  9      1.3810000E+01          3.62200414000E-01      
 10      6.2560000E+00          2.78595826640E-01      
S   10
  1      1.6420000E+05         -6.03111076781E-06      
  2      2.4590000E+04         -4.69316222192E-05      
  3      5.5920000E+03         -2.46130721305E-04      
  4      1.5820000E+03         -1.03893035378E-03      
  5      5.1610000E+02         -3.71126457219E-03      
  6      1.8720000E+02         -1.15724638695E-02      
  7      7.3930000E+01         -3.05549518616E-02      
  8      3.1220000E+01         -6.83336402215E-02      
  9      1.3810000E+01         -1.20570561303E-01      
 10      6.2560000E+00         -1.48202843604E-01      
S   1
  1      2.7760000E+00          1.0000000        
S   1
  1      1.1380000E+00          1.0000000        
S   1
  1      4.6000000E-01          1.0000000        
S   1
  1      1.8290000E-01          1.0000000        
P   4
  1      1.9550000E+02          9.20570909703E-04      
  2      4.6160000E+01          7.38866892119E-03      
  3      1.4580000E+01          3.49307930958E-02      
  4      5.2960000E+00          1.15327793480E-01      
P   1
  1      2.0940000E+00          1.0000000        
P   1
  1      8.4710000E-01          1.0000000        
P   1
  1      3.3680000E-01          1.0000000        
P   1
  1      1.2850000E-01          1.0000000        
D   1
  1      5.8790000E+00          1.0000000        
D   1
  1      2.3070000E+00          1.0000000        
D   1
  1      9.0500000E-01          1.0000000        
D   1
  1      3.5500000E-01          1.0000000        
F   1
  1      4.0160000E+00          1.0000000        
F   1
  1      1.5540000E+00          1.0000000        
F   1
  1      6.0100000E-01          1.0000000        
G   1
  1      3.3500000E+00          1.0000000        
G   1
  1      1.1890000E+00          1.0000000        
H   1
  1      2.3190000E+00          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: F
data:
FLUORINE
S   10
  1      2.1140000E+05          2.61313714653E-05      
  2      3.1660000E+04          2.03010993996E-04      
  3      7.2020000E+03          1.06437099753E-03      
  4      2.0400000E+03          4.45973614407E-03      
  5      6.6640000E+02          1.58399825590E-02      
  6      2.4200000E+02          4.82670384311E-02      
  7      9.5530000E+01          1.23453399091E-01      
  8      4.0230000E+01          2.51636268788E-01      
  9      1.7720000E+01          3.64223915068E-01      
 10      8.0050000E+00          2.79170831161E-01      
S   10
  1      2.1140000E+05         -6.05525662249E-06      
  2      3.1660000E+04         -4.71196639435E-05      
  3      7.2020000E+03         -2.46736892032E-04      
  4      2.0400000E+03         -1.03947012125E-03      
  5      6.6640000E+02         -3.70701310730E-03      
  6      2.4200000E+02         -1.15704967896E-02      
  7      9.5530000E+01         -3.07708672097E-02      
  8      4.0230000E+01         -6.97117452734E-02      
  9      1.7720000E+01         -1.24036273354E-01      
 10      8.0050000E+00         -1.49837708620E-01      
S   1
  1      3.5380000E+00          1.0000000        
S   1
  1      1.4580000E+00          1.0000000        
S   1
  1      5.8870000E-01          1.0000000        
S   1
  1      2.3240000E-01          1.0000000        
P   4
  1      2.4190000E+02          1.00774073295E-03      
  2      5.7170000E+01          8.07639319690E-03      
  3      1.8130000E+01          3.80905782602E-02      
  4      6.6240000E+00          1.23814058772E-01      
P   1
  1      2.6220000E+00          1.0000000        
P   1
  1      1.0570000E+00          1.0000000        
P   1
  1      4.1760000E-01          1.0000000        
P   1
  1      1.5740000E-01          1.0000000        
D   1
  1      7.7600000E+00          1.0000000        
D   1
  1      3.0320000E+00          1.0000000        
D   1
  1      1.1850000E+00          1.0000000        
D   1
  1      4.6300000E-01          1.0000000        
F   1
  1      5.3980000E+00          1.0000000        
F   1
  1      2.0780000E+00          1.0000000        
F   1
  1      8.0000000E-01          1.0000000        
G   1
  1      4.3380000E+00          1.0000000        
G   1
  1      1.5130000E+00          1.0000000        
H   1
  1      2.9950000E+00          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ne
data:
NEON
S   10
  1      2.6270000E+05          2.60702775423E-05      
  2      3.9350000E+04          2.02322397203E-04      
  3      8.9550000E+03          1.06033548259E-03      
  4      2.5380000E+03          4.43347323942E-03      
  5      8.2990000E+02          1.57400593658E-02      
  6      3.0150000E+02          4.79498849539E-02      
  7      1.1900000E+02          1.23219022890E-01      
  8      5.0000000E+01          2.52630627249E-01      
  9      2.1980000E+01          3.65933415975E-01      
 10      9.8910000E+00          2.78874775847E-01      
S   10
  1      2.6270000E+05         -6.13306131911E-06      
  2      3.9350000E+04         -4.76616152070E-05      
  3      8.9550000E+03         -2.49578650574E-04      
  4      2.5380000E+03         -1.04869501772E-03      
  5      8.2990000E+02         -3.74115320016E-03      
  6      3.0150000E+02         -1.16655319385E-02      
  7      1.1900000E+02         -3.12241447532E-02      
  8      5.0000000E+01         -7.11519367419E-02      
  9      2.1980000E+01         -1.27323782667E-01      
 10      9.8910000E+00         -1.50721131921E-01      
S   1
  1      4.3270000E+00          1.0000000        
S   1
  1      1.8040000E+00          1.0000000        
S   1
  1      7.2880000E-01          1.0000000        
S   1
  1      2.8670000E-01          1.0000000        
P   4
  1      2.9910000E+02          1.04615921498E-03      
  2      7.0730000E+01          8.40554116150E-03      
  3      2.2480000E+01          3.97543634549E-02      
  4      8.2460000E+00          1.28109619116E-01      
P   1
  1      3.2690000E+00          1.0000000        
P   1
  1      1.3150000E+00          1.0000000        
P   1
  1      5.1580000E-01          1.0000000        
P   1
  1      1.9180000E-01          1.0000000        
D   1
  1      9.8370000E+00          1.0000000        
D   1
  1      3.8440000E+00          1.0000000        
D   1
  1      1.5020000E+00          1.0000000        
D   1
  1      5.8700000E-01          1.0000000        
F   1
  1      7.0900000E+00          1.0000000        
F   1
  1      2.7380000E+00          1.0000000        
F   1
  1      1.0570000E+00          1.0000000        
G   1
  1      5.4600000E+00          1.0000000        
G   1
  1      1.8800000E+00          1.0000000        
H   1
  1      3.7760000E+00          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   16
  1      3.2690000E+06          2.17460493289E-06      
  2      4.8940000E+05          1.70226754661E-05      
  3      1.1140000E+05          8.93251129157E-05      
  4      3.1560000E+04          3.75626980262E-04      
  5      1.0320000E+04          1.35941215071E-03      
  6      3.7310000E+03          4.41131455391E-03      
  7      1.4560000E+03          1.30245898226E-02      
  8      6.0410000E+02          3.50777246188E-02      
  9      2.6350000E+02          8.47531302620E-02      
 10      1.1980000E+02          1.76283112856E-01      
 11      5.6320000E+01          2.91972079729E-01      
 12      2.7190000E+01          3.27250736030E-01      
 13      1.3260000E+01          1.85918348867E-01      
 14      6.0520000E+00          3.08013098735E-02      
 15      2.9810000E+00         -5.01206266097E-04      
 16      1.4760000E+00          1.47528970558E-03      
S   16
  1      3.2690000E+06         -5.67126887399E-07      
  2      4.8940000E+05         -4.44190054135E-06      
  3      1.1140000E+05         -2.32941904851E-05      
  4      3.1560000E+04         -9.80927515849E-05      
  5      1.0320000E+04         -3.54960865604E-04      
  6      3.7310000E+03         -1.15699678923E-03      
  7      1.4560000E+03         -3.43396440490E-03      
  8      6.0410000E+02         -9.41930678420E-03      
  9      2.6350000E+02         -2.34964640723E-02      
 10      1.1980000E+02         -5.26412951162E-02      
 11      5.6320000E+01         -1.00179075926E-01      
 12      2.7190000E+01         -1.50331518478E-01      
 13      1.3260000E+01         -1.17548676604E-01      
 14      6.0520000E+00          1.10558423687E-01      
 15      2.9810000E+00          4.12189334811E-01      
 16      1.4760000E+00          4.55720240416E-01      
S   16
  1      3.2690000E+06          1.31005061240E-07      
  2      4.8940000E+05          1.02504776919E-06      
  3      1.1140000E+05          5.38336781863E-06      
  4      3.1560000E+04          2.26269887030E-05      
  5      1.0320000E+04          8.20834827858E-05      
  6      3.7310000E+03          2.66820709027E-04      
  7      1.4560000E+03          7.95164292222E-04      
  8      6.0410000E+02          2.17453500500E-03      
  9      2.6350000E+02          5.46640970577E-03      
 10      1.1980000E+02          1.22362390889E-02      
 11      5.6320000E+01          2.37460559108E-02      
 12      2.7190000E+01          3.60278306471E-02      
 13      1.3260000E+01          2.99538603442E-02      
 14      6.0520000E+00         -3.17002351991E-02      
 15      2.9810000E+00         -1.19476344970E-01      
 16      1.4760000E+00         -2.11587942203E-01      
S   1
  1      7.3340000E-01          1.0000000        
S   1
  1      2.4470000E-01          1.0000000        
S   1
  1      1.0880000E-01          1.0000000        
S   1
  1      4.6720000E-02          1.0000000        
P   8
  1      1.4610000E+03          2.13283781204E-04      
  2      3.4620000E+02          1.83208309306E-03      
  3      1.1220000E+02          9.79943092778E-03      
  4      4.2510000E+01          3.79607879639E-02      
  5      1.7720000E+01          1.11064563212E-01      
  6      7.8520000E+00          2.34302884729E-01      
  7      3.5710000E+00          3.44993730861E-01      
  8      1.6370000E+00          3.31027854422E-01      
P   8
  1      1.4610000E+03         -3.80066457934E-05      
  2      3.4620000E+02         -3.32282908993E-04      
  3      1.1220000E+02         -1.75308202505E-03      
  4      4.2510000E+01         -6.96726991376E-03      
  5      1.7720000E+01         -2.02939591316E-02      
  6      7.8520000E+00         -4.48201557321E-02      
  7      3.5710000E+00         -6.42088962561E-02      
  8      1.6370000E+00         -7.50992283811E-02      
P   1
  1      7.3820000E-01          1.0000000        
P   1
  1      2.5770000E-01          1.0000000        
P   1
  1      9.7730000E-02          1.0000000        
P   1
  1      3.6900000E-02          1.0000000        
D   1
  1      1.3170000E+00          1.0000000        
D   1
  1      5.2600000E-01          1.0000000        
D   1
  1      2.1000000E-01          1.0000000        
D   1
  1      8.4000000E-02          1.0000000        
F   1
  1      5.1300000E-01          1.0000000        
F   1
  1      2.5800000E-01          1.0000000        
F   1
  1      1.3000000E-01          1.0000000        
G   1
  1      5.4300000E-01          1.0000000        
G   1
  1      2.5200000E-01          1.0000000        
H   1
  1      4.4600000E-01          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Si
data:
SILICON
S   16
  1      3.9480000E+06          2.07433602070E-06      
  2      5.9110000E+05          1.62792397859E-05      
  3      1.3450000E+05          8.53685055315E-05      
  4      3.8120000E+04          3.58745719638E-04      
  5      1.2460000E+04          1.29933851214E-03      
  6      4.5040000E+03          4.21329578525E-03      
  7      1.7580000E+03          1.24478205177E-02      
  8      7.2910000E+02          3.36014790930E-02      
  9      3.1800000E+02          8.14437495421E-02      
 10      1.4460000E+02          1.70739831733E-01      
 11      6.7970000E+01          2.86784524536E-01      
 12      3.2820000E+01          3.29251833209E-01      
 13      1.6030000E+01          1.95394107232E-01      
 14      7.3960000E+00          3.51369794589E-02      
 15      3.6610000E+00         -5.27072951616E-04      
 16      1.8230000E+00          1.59801771120E-03      
S   16
  1      3.9480000E+06         -5.54283933306E-07      
  2      5.9110000E+05         -4.35199640965E-06      
  3      1.3450000E+05         -2.28109269583E-05      
  4      3.8120000E+04         -9.59750315069E-05      
  5      1.2460000E+04         -3.47640087381E-04      
  6      4.5040000E+03         -1.13191855093E-03      
  7      1.7580000E+03         -3.36216674919E-03      
  8      7.2910000E+02         -9.23622551016E-03      
  9      3.1800000E+02         -2.31052859563E-02      
 10      1.4460000E+02         -5.20581328856E-02      
 11      6.7970000E+01         -1.00197156045E-01      
 12      3.2820000E+01         -1.52508864517E-01      
 13      1.6030000E+01         -1.25699220481E-01      
 14      7.3960000E+00          9.76558505950E-02      
 15      3.6610000E+00          4.15428334303E-01      
 16      1.8230000E+00          4.66091129819E-01      
S   16
  1      3.9480000E+06          1.42311430902E-07      
  2      5.9110000E+05          1.11635414081E-06      
  3      1.3450000E+05          5.85911657098E-06      
  4      3.8120000E+04          2.46096347797E-05      
  5      1.2460000E+04          8.93452169215E-05      
  6      4.5040000E+03          2.90193510594E-04      
  7      1.7580000E+03          8.65250726738E-04      
  8      7.2910000E+02          2.37081643193E-03      
  9      3.1800000E+02          5.97492264564E-03      
 10      1.4460000E+02          1.34624443427E-02      
 11      6.7970000E+01          2.64179918416E-02      
 12      3.2820000E+01          4.07576433927E-02      
 13      1.6030000E+01          3.56966606263E-02      
 14      7.3960000E+00         -3.14316646064E-02      
 15      3.6610000E+00         -1.36977882809E-01      
 16      1.8230000E+00         -2.50849073576E-01      
S   1
  1      9.1470000E-01          1.0000000        
S   1
  1      3.3930000E-01          1.0000000        
S   1
  1      1.5000000E-01          1.0000000        
S   1
  1      6.4380000E-02          1.0000000        
P   8
  1      1.7800000E+03          2.06584293419E-04      
  2      4.2180000E+02          1.77502567217E-03      
  3      1.3670000E+02          9.55903855051E-03      
  4      5.1810000E+01          3.73964895332E-02      
  5      2.1600000E+01          1.10979474304E-01      
  6      9.5630000E+00          2.37970050928E-01      
  7      4.3500000E+00          3.53386318127E-01      
  8      2.0060000E+00          3.28299113872E-01      
P   8
  1      1.7800000E+03         -4.35605679836E-05      
  2      4.2180000E+02         -3.80126563968E-04      
  3      1.3670000E+02         -2.02490264104E-03      
  4      5.1810000E+01         -8.11316898978E-03      
  5      2.1600000E+01         -2.41021018704E-02      
  6      9.5630000E+00         -5.40404051495E-02      
  7      4.3500000E+00         -7.92069297888E-02      
  8      2.0060000E+00         -8.84593853434E-02      
P   1
  1      9.2050000E-01          1.0000000        
P   1
  1      3.5000000E-01          1.0000000        
P   1
  1      1.3810000E-01          1.0000000        
P   1
  1      5.3380000E-02          1.0000000        
D   1
  1      2.0820000E+00          1.0000000        
D   1
  1      8.1700000E-01          1.0000000        
D   1
  1      3.2100000E-01          1.0000000        
D   1
  1      1.2600000E-01          1.0000000        
F   1
  1      6.8800000E-01          1.0000000        
F   1
  1      3.4100000E-01          1.0000000        
F   1
  1      1.6900000E-01          1.0000000        
G   1
  1      7.0500000E-01          1.0000000        
G   1
  1      3.2000000E-01          1.0000000        
H   1
  1      5.8300000E-01          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: P
data:
PHOSPHORUS
S   16
  1      4.6660000E+06          2.00625948693E-06      
  2      6.9860000E+05          1.57851626652E-05      
  3      1.5900000E+05          8.27191968947E-05      
  4      4.5040000E+04          3.47981740069E-04      
  5      1.4720000E+04          1.25829260364E-03      
  6      5.3230000E+03          4.08212033501E-03      
  7      2.0760000E+03          1.20749959859E-02      
  8      8.6110000E+02          3.25793828912E-02      
  9      3.7570000E+02          7.91878199826E-02      
 10      1.7080000E+02          1.66984667048E-01      
 11      8.0290000E+01          2.82965877820E-01      
 12      3.8770000E+01          3.30720030768E-01      
 13      1.8930000E+01          2.01934619776E-01      
 14      8.7960000E+00          3.79262136063E-02      
 15      4.3580000E+00         -3.77754956312E-04      
 16      2.1740000E+00          1.56790276625E-03      
S   16
  1      4.6660000E+06         -5.47280780258E-07      
  2      6.9860000E+05         -4.30782253926E-06      
  3      1.5900000E+05         -2.25646969355E-05      
  4      4.5040000E+04         -9.50328712028E-05      
  5      1.4720000E+04         -3.43691296061E-04      
  6      5.3230000E+03         -1.11941888181E-03      
  7      2.0760000E+03         -3.32920736007E-03      
  8      8.6110000E+02         -9.13757958537E-03      
  9      3.7570000E+02         -2.29153135850E-02      
 10      1.7080000E+02         -5.18709890995E-02      
 11      8.0290000E+01         -1.00539197602E-01      
 12      3.8770000E+01         -1.54822598262E-01      
 13      1.8930000E+01         -1.31739057945E-01      
 14      8.7960000E+00          9.13598177965E-02      
 15      4.3580000E+00          4.24310336678E-01      
 16      2.1740000E+00          4.72587863026E-01      
S   16
  1      4.6660000E+06          1.50928458975E-07      
  2      6.9860000E+05          1.18717155037E-06      
  3      1.5900000E+05          6.22490572898E-06      
  4      4.5040000E+04          2.61821918954E-05      
  5      1.4720000E+04          9.48599390639E-05      
  6      5.3230000E+03          3.08393623831E-04      
  7      2.0760000E+03          9.20024262870E-04      
  8      8.6110000E+02          2.52099999358E-03      
  9      3.7570000E+02          6.36339828651E-03      
 10      1.7080000E+02          1.44274846984E-02      
 11      8.0290000E+01          2.84773743742E-02      
 12      3.8770000E+01          4.46141737823E-02      
 13      1.8930000E+01          4.01968912762E-02      
 14      8.7960000E+00         -3.15047604922E-02      
 15      4.3580000E+00         -1.54666605422E-01      
 16      2.1740000E+00         -2.83439699342E-01      
S   1
  1      1.0950000E+00          1.0000000        
S   1
  1      4.4000000E-01          1.0000000        
S   1
  1      1.9450000E-01          1.0000000        
S   1
  1      8.3760000E-02          1.0000000        
P   8
  1      2.0100000E+03          2.22520666172E-04      
  2      4.7630000E+02          1.90694913309E-03      
  3      1.5440000E+02          1.02700233791E-02      
  4      5.8510000E+01          4.01902343711E-02      
  5      2.4400000E+01          1.18821608560E-01      
  6      1.0800000E+01          2.51840773227E-01      
  7      4.9130000E+00          3.66123630500E-01      
  8      2.2690000E+00          3.15432988672E-01      
P   8
  1      2.0100000E+03         -5.23796028817E-05      
  2      4.7630000E+02         -4.53032182287E-04      
  3      1.5440000E+02         -2.43076734407E-03      
  4      5.8510000E+01         -9.68737185670E-03      
  5      2.4400000E+01         -2.89720322412E-02      
  6      1.0800000E+01         -6.37358775547E-02      
  7      4.9130000E+00         -9.38158184818E-02      
  8      2.2690000E+00         -9.26433217982E-02      
P   1
  1      1.0430000E+00          1.0000000        
P   1
  1      4.3130000E-01          1.0000000        
P   1
  1      1.7670000E-01          1.0000000        
P   1
  1      7.0090000E-02          1.0000000        
D   1
  1      2.6560000E+00          1.0000000        
D   1
  1      1.0540000E+00          1.0000000        
D   1
  1      4.1800000E-01          1.0000000        
D   1
  1      1.6600000E-01          1.0000000        
F   1
  1      9.2300000E-01          1.0000000        
F   1
  1      4.5000000E-01          1.0000000        
F   1
  1      2.1900000E-01          1.0000000        
G   1
  1      9.0300000E-01          1.0000000        
G   1
  1      4.1200000E-01          1.0000000        
H   1
  1      7.4500000E-01          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: S
data:
SULFUR
S   16
  1      5.4810000E+06          1.93404348483E-06      
  2      8.2060000E+05          1.52585987639E-05      
  3      1.8670000E+05          7.99709879130E-05      
  4      5.2880000E+04          3.36318478681E-04      
  5      1.7250000E+04          1.22178951456E-03      
  6      6.2260000E+03          3.96013665614E-03      
  7      2.4290000E+03          1.17143507054E-02      
  8      1.0070000E+03          3.16418549429E-02      
  9      4.3950000E+02          7.70290138461E-02      
 10      1.9980000E+02          1.63309420547E-01      
 11      9.3920000E+01          2.79280615703E-01      
 12      4.5340000E+01          3.31785283597E-01      
 13      2.2150000E+01          2.08192948428E-01      
 14      1.0340000E+01          4.11219749300E-02      
 15      5.1190000E+00         -4.42601142960E-04      
 16      2.5530000E+00          1.66563330368E-03      
S   16
  1      5.4810000E+06         -5.37050885786E-07      
  2      8.2060000E+05         -4.23848340513E-06      
  3      1.8670000E+05         -2.22075183087E-05      
  4      5.2880000E+04         -9.34835419932E-05      
  5      1.7250000E+04         -3.39735814548E-04      
  6      6.2260000E+03         -1.10520080603E-03      
  7      2.4290000E+03         -3.28768102056E-03      
  8      1.0070000E+03         -9.02807839669E-03      
  9      4.3950000E+02         -2.26747480326E-02      
 10      1.9980000E+02         -5.15219109448E-02      
 11      9.3920000E+01         -1.00636881260E-01      
 12      4.5340000E+01         -1.56514434801E-01      
 13      2.2150000E+01         -1.37366111166E-01      
 14      1.0340000E+01          8.50900353015E-02      
 15      5.1190000E+00          4.32878621024E-01      
 16      2.5530000E+00          4.78834212449E-01      
S   16
  1      5.4810000E+06          1.56092884715E-07      
  2      8.2060000E+05          1.23118992819E-06      
  3      1.8670000E+05          6.45634731586E-06      
  4      5.2880000E+04          2.71488802002E-05      
  5      1.7250000E+04          9.88128216324E-05      
  6      6.2260000E+03          3.20975841523E-04      
  7      2.4290000E+03          9.57390456692E-04      
  8      1.0070000E+03          2.62615036797E-03      
  9      4.3950000E+02          6.63536358789E-03      
 10      1.9980000E+02          1.51161876146E-02      
 11      9.3920000E+01          3.00495440995E-02      
 12      4.5340000E+01          4.76595981291E-02      
 13      2.2150000E+01          4.42083440375E-02      
 14      1.0340000E+01         -3.08702954343E-02      
 15      5.1190000E+00         -1.70435054778E-01      
 16      2.5530000E+00         -3.11080642964E-01      
S   1
  1      1.2820000E+00          1.0000000        
S   1
  1      5.4500000E-01          1.0000000        
S   1
  1      2.4110000E-01          1.0000000        
S   1
  1      1.0350000E-01          1.0000000        
P   8
  1      2.2000000E+03          2.47310982281E-04      
  2      5.2140000E+02          2.11651577007E-03      
  3      1.6900000E+02          1.13571224500E-02      
  4      6.4050000E+01          4.43280898385E-02      
  5      2.6720000E+01          1.29488870535E-01      
  6      1.1830000E+01          2.69105871183E-01      
  7      5.3780000E+00          3.78065338134E-01      
  8      2.4820000E+00          2.95938578060E-01      
P   8
  1      2.2000000E+03         -6.29553138980E-05      
  2      5.2140000E+02         -5.40400399385E-04      
  3      1.6900000E+02         -2.90981828913E-03      
  4      6.4050000E+01         -1.15032124632E-02      
  5      2.6720000E+01         -3.43498016438E-02      
  6      1.1830000E+01         -7.35097268792E-02      
  7      5.3780000E+00         -1.07592764043E-01      
  8      2.4820000E+00         -8.73008877983E-02      
P   1
  1      1.1160000E+00          1.0000000        
P   1
  1      4.8480000E-01          1.0000000        
P   1
  1      2.0060000E-01          1.0000000        
P   1
  1      7.9510000E-02          1.0000000        
D   1
  1      3.2030000E+00          1.0000000        
D   1
  1      1.2810000E+00          1.0000000        
D   1
  1      5.1200000E-01          1.0000000        
D   1
  1      2.0500000E-01          1.0000000        
F   1
  1      1.0960000E+00          1.0000000        
F   1
  1      5.2900000E-01          1.0000000        
F   1
  1      2.5500000E-01          1.0000000        
G   1
  1      1.0710000E+00          1.0000000        
G   1
  1      4.6300000E-01          1.0000000        
H   1
  1      8.7200000E-01          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   16
  1      6.4100000E+06          1.85392970406E-06      
  2      9.5960000E+05          1.46950521248E-05      
  3      2.1830000E+05          7.69166299138E-05      
  4      6.1810000E+04          3.24050641710E-04      
  5      2.0140000E+04          1.17716771948E-03      
  6      7.2640000E+03          3.82239555321E-03      
  7      2.8320000E+03          1.12931458323E-02      
  8      1.1750000E+03          3.05199668556E-02      
  9      5.1260000E+02          7.45740902270E-02      
 10      2.3300000E+02          1.58958026930E-01      
 11      1.0950000E+02          2.74749621254E-01      
 12      5.2860000E+01          3.32577843274E-01      
 13      2.5840000E+01          2.15697779908E-01      
 14      1.2170000E+01          4.51455606487E-02      
 15      6.0300000E+00         -1.30670604784E-04      
 16      3.0120000E+00          1.61411726708E-03      
S   16
  1      6.4100000E+06         -5.22827651992E-07      
  2      9.5960000E+05         -4.14530860590E-06      
  3      2.1830000E+05         -2.16928283416E-05      
  4      6.1810000E+04         -9.14687027893E-05      
  5      2.0140000E+04         -3.32441509281E-04      
  6      7.2640000E+03         -1.08316808069E-03      
  7      2.8320000E+03         -3.21848294875E-03      
  8      1.1750000E+03         -8.83724766372E-03      
  9      5.1260000E+02         -2.22698203230E-02      
 10      2.3300000E+02         -5.07845557435E-02      
 11      1.0950000E+02         -1.00026103993E-01      
 12      5.2860000E+01         -1.57359029112E-01      
 13      2.5840000E+01         -1.43374078148E-01      
 14      1.2170000E+01          7.38988451325E-02      
 15      6.0300000E+00          4.32841474765E-01      
 16      3.0120000E+00          4.87479083140E-01      
S   16
  1      6.4100000E+06          1.58244446631E-07      
  2      9.5960000E+05          1.25404213410E-06      
  3      2.1830000E+05          6.56732192768E-06      
  4      6.1810000E+04          2.76661665459E-05      
  5      2.0140000E+04          1.00682594997E-04      
  6      7.2640000E+03          3.27650755606E-04      
  7      2.8320000E+03          9.75895453058E-04      
  8      1.1750000E+03          2.67773133308E-03      
  9      5.1260000E+02          6.78567441990E-03      
 10      2.3300000E+02          1.55251710920E-02      
 11      1.0950000E+02          3.11045643754E-02      
 12      5.2860000E+01          4.99814101481E-02      
 13      2.5840000E+01          4.80728651034E-02      
 14      1.2170000E+01         -2.79415639138E-02      
 15      6.0300000E+00         -1.80105692303E-01      
 16      3.0120000E+00         -3.31911096680E-01      
S   1
  1      1.5110000E+00          1.0000000        
S   1
  1      6.6040000E-01          1.0000000        
S   1
  1      2.9260000E-01          1.0000000        
S   1
  1      1.2540000E-01          1.0000000        
P   8
  1      2.5480000E+03          2.45075948550E-04      
  2      6.0370000E+02          2.09697633286E-03      
  3      1.9560000E+02          1.12950832155E-02      
  4      7.4150000E+01          4.42902719820E-02      
  5      3.0940000E+01          1.30393357187E-01      
  6      1.3690000E+01          2.73032875814E-01      
  7      6.2290000E+00          3.83087932413E-01      
  8      2.8780000E+00          2.90899534310E-01      
P   8
  1      2.5480000E+03         -6.60801091211E-05      
  2      6.0370000E+02         -5.65584718746E-04      
  3      1.9560000E+02         -3.06666853092E-03      
  4      7.4150000E+01         -1.21502381682E-02      
  5      3.0940000E+01         -3.67431945878E-02      
  6      1.3690000E+01         -7.90491749582E-02      
  7      6.2290000E+00         -1.17163208958E-01      
  8      2.8780000E+00         -8.54453963704E-02      
P   1
  1      1.2820000E+00          1.0000000        
P   1
  1      5.6410000E-01          1.0000000        
P   1
  1      2.3480000E-01          1.0000000        
P   1
  1      9.3120000E-02          1.0000000        
D   1
  1      3.7810000E+00          1.0000000        
D   1
  1      1.5290000E+00          1.0000000        
D   1
  1      6.1800000E-01          1.0000000        
D   1
  1      2.5000000E-01          1.0000000        
F   1
  1      1.3450000E+00          1.0000000        
F   1
  1      6.5600000E-01          1.0000000        
F   1
  1      3.2000000E-01          1.0000000        
G   1
  1      1.3020000E+00          1.0000000        
G   1
  1      5.5600000E-01          1.0000000        
H   1
  1      1.0530000E+00          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ar
data:
ARGON
S   16
  1      7.4010000E+06          1.78855199174E-06      
  2      1.1080000E+06          1.42461495093E-05      
  3      2.5210000E+05          7.45325423636E-05      
  4      7.1380000E+04          3.13821578500E-04      
  5      2.3260000E+04          1.13955676140E-03      
  6      8.3900000E+03          3.69777899522E-03      
  7      3.2710000E+03          1.09302175154E-02      
  8      1.3570000E+03          2.95514319496E-02      
  9      5.9200000E+02          7.23916861697E-02      
 10      2.6910000E+02          1.54935671220E-01      
 11      1.2650000E+02          2.70462469925E-01      
 12      6.1030000E+01          3.33238643182E-01      
 13      2.9860000E+01          2.22192115839E-01      
 14      1.4170000E+01          4.92984576065E-02      
 15      7.0220000E+00          6.32412238071E-05      
 16      3.5110000E+00          1.65828467835E-03      
S   16
  1      7.4010000E+06         -5.11297031239E-07      
  2      1.1080000E+06         -4.07338672097E-06      
  3      2.5210000E+05         -2.13090653877E-05      
  4      7.1380000E+04         -8.97837839676E-05      
  5      2.3260000E+04         -3.26245715013E-04      
  6      8.3900000E+03         -1.06196656360E-03      
  7      3.2710000E+03         -3.15749388673E-03      
  8      1.3570000E+03         -8.66787332882E-03      
  9      5.9200000E+02         -2.18939032147E-02      
 10      2.6910000E+02         -5.00422738472E-02      
 11      1.2650000E+02         -9.93427380550E-02      
 12      6.1030000E+01         -1.58023549072E-01      
 13      2.9860000E+01         -1.48486324153E-01      
 14      1.4170000E+01          6.35641637764E-02      
 15      7.0220000E+00          4.32323695580E-01      
 16      3.5110000E+00          4.95268253510E-01      
S   16
  1      7.4010000E+06          1.59855855357E-07      
  2      1.1080000E+06          1.27300807862E-06      
  3      2.5210000E+05          6.66356182852E-06      
  4      7.1380000E+04          2.80550740393E-05      
  5      2.3260000E+04          1.02055877467E-04      
  6      8.3900000E+03          3.31882767848E-04      
  7      3.2710000E+03          9.88856440798E-04      
  8      1.3570000E+03          2.71367652965E-03      
  9      5.9200000E+02          6.89025964456E-03      
 10      2.6910000E+02          1.58102661886E-02      
 11      1.2650000E+02          3.19097697722E-02      
 12      6.1030000E+01          5.19164076247E-02      
 13      2.9860000E+01          5.14385457498E-02      
 14      1.4170000E+01         -2.48207784889E-02      
 15      7.0220000E+00         -1.88168985721E-01      
 16      3.5110000E+00         -3.49466591817E-01      
S   1
  1      1.7580000E+00          1.0000000        
S   1
  1      7.8410000E-01          1.0000000        
S   1
  1      3.4800000E-01          1.0000000        
S   1
  1      1.4910000E-01          1.0000000        
P   8
  1      2.9270000E+03          2.42506018323E-04      
  2      6.9350000E+02          2.07449330557E-03      
  3      2.2470000E+02          1.11946990586E-02      
  4      8.5170000E+01          4.41978834504E-02      
  5      3.5530000E+01          1.30833454121E-01      
  6      1.5730000E+01          2.75860083843E-01      
  7      7.1650000E+00          3.86939893101E-01      
  8      3.3220000E+00          2.86254124717E-01      
P   8
  1      2.9270000E+03         -6.78700634215E-05      
  2      6.9350000E+02         -5.79792014606E-04      
  3      2.2470000E+02         -3.15608468426E-03      
  4      8.5170000E+01         -1.25737745341E-02      
  5      3.5530000E+01         -3.83629765526E-02      
  6      1.5730000E+01         -8.30629863286E-02      
  7      7.1650000E+00         -1.24283719607E-01      
  8      3.3220000E+00         -8.24656954975E-02      
P   1
  1      1.4780000E+00          1.0000000        
P   1
  1      6.5520000E-01          1.0000000        
P   1
  1      2.7510000E-01          1.0000000        
P   1
  1      1.0970000E-01          1.0000000        
D   1
  1      4.7760000E+00          1.0000000        
D   1
  1      1.9170000E+00          1.0000000        
D   1
  1      7.7000000E-01          1.0000000        
D   1
  1      3.0900000E-01          1.0000000        
F   1
  1      1.6680000E+00          1.0000000        
F   1
  1      8.2500000E-01          1.0000000        
F   1
  1      4.0800000E-01          1.0000000        
G   1
  1      1.5620000E+00          1.0000000        
G   1
  1      6.6500000E-01          1.0000000        
H   1
  1      1.2640000E+00          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   22
  1      1.0861522E+08          1.54352828219E-07      
  2      1.6264540E+07          2.06068279472E-06      
  3      3.7001116E+06          1.11151953902E-05      
  4      1.0471691E+06          4.69217784643E-05      
  5      3.4106757E+05          1.69691071098E-04      
  6      1.2277154E+05          5.51763441777E-04      
  7      4.7659578E+04          1.65161915442E-03      
  8      1.9633354E+04          4.61870157285E-03      
  9      8.4887347E+03          1.21341016655E-02      
 10      3.8231381E+03          2.98631190986E-02      
 11      1.7844755E+03          6.78033275421E-02      
 12      8.6005305E+02          1.37580913376E-01      
 13      4.2669867E+02          2.35191302944E-01      
 14      2.1726161E+02          3.04303713611E-01      
 15      1.1296987E+02          2.46670548842E-01      
 16      5.9449441E+01          9.24119055392E-02      
 17      3.0782256E+01          9.29656718484E-03      
 18      1.6423212E+01          5.64882610863E-04      
 19      8.7578890E+00         -5.71073525709E-05      
 20      4.4096290E+00          1.09655765857E-05      
 21      2.2494490E+00         -6.03951415477E-05      
 22      1.1261150E+00          1.50602275972E-05      
S   22
  1      1.0861522E+08         -4.88876552683E-08      
  2      1.6264540E+07         -6.52583324180E-07      
  3      3.7001116E+06         -3.52087041497E-06      
  4      1.0471691E+06         -1.48615815688E-05      
  5      3.4106757E+05         -5.37795386441E-05      
  6      1.2277154E+05         -1.74927761720E-04      
  7      4.7659578E+04         -5.24677648065E-04      
  8      1.9633354E+04         -1.47156782847E-03      
  9      8.4887347E+03         -3.89715102496E-03      
 10      3.8231381E+03         -9.73375587121E-03      
 11      1.7844755E+03         -2.28202256606E-02      
 12      8.6005305E+02         -4.91636750547E-02      
 13      4.2669867E+02         -9.44791340968E-02      
 14      2.1726161E+02         -1.50261582401E-01      
 15      1.1296987E+02         -1.65694062476E-01      
 16      5.9449441E+01         -2.85026627763E-02      
 17      3.0782256E+01          3.12846726602E-01      
 18      1.6423212E+01          5.22462543386E-01      
 19      8.7578890E+00          2.85246598670E-01      
 20      4.4096290E+00          4.11311882426E-02      
 21      2.2494490E+00          1.31453828240E-03      
 22      1.1261150E+00          1.07356457948E-03      
S   22
  1      1.0861522E+08          1.87123264398E-08      
  2      1.6264540E+07          2.49735189324E-07      
  3      3.7001116E+06          1.34770029801E-06      
  4      1.0471691E+06          5.68710347462E-06      
  5      3.4106757E+05          2.05881537381E-05      
  6      1.2277154E+05          6.69430825260E-05      
  7      4.7659578E+04          2.00934637086E-04      
  8      1.9633354E+04          5.63459865280E-04      
  9      8.4887347E+03          1.49467527503E-03      
 10      3.8231381E+03          3.73737377441E-03      
 11      1.7844755E+03          8.80534671111E-03      
 12      8.6005305E+02          1.90964546706E-02      
 13      4.2669867E+02          3.73120527159E-02      
 14      2.1726161E+02          6.09432927301E-02      
 15      1.1296987E+02          7.06848319041E-02      
 16      5.9449441E+01          1.19820337852E-02      
 17      3.0782256E+01         -1.72756727627E-01      
 18      1.6423212E+01         -4.04804342305E-01      
 19      8.7578890E+00         -2.72461500013E-01      
 20      4.4096290E+00          2.96370377427E-01      
 21      2.2494490E+00          6.35358957030E-01      
 22      1.1261150E+00          3.50272667546E-01      
S   22
  1      1.0861522E+08         -4.38920640816E-09      
  2      1.6264540E+07         -5.85836845743E-08      
  3      3.7001116E+06         -3.16117025546E-07      
  4      1.0471691E+06         -1.33414323331E-06      
  5      3.4106757E+05         -4.82904097169E-06      
  6      1.2277154E+05         -1.57050753582E-05      
  7      4.7659578E+04         -4.71300963556E-05      
  8      1.9633354E+04         -1.32206112180E-04      
  9      8.4887347E+03         -3.50630870866E-04      
 10      3.8231381E+03         -8.77290939295E-04      
 11      1.7844755E+03         -2.06710778071E-03      
 12      8.6005305E+02         -4.49001562700E-03      
 13      4.2669867E+02         -8.78475789686E-03      
 14      2.1726161E+02         -1.44170507159E-02      
 15      1.1296987E+02         -1.67997891045E-02      
 16      5.9449441E+01         -2.90908108968E-03      
 17      3.0782256E+01          4.27052275920E-02      
 18      1.6423212E+01          1.04632315581E-01      
 19      8.7578890E+00          7.22852309907E-02      
 20      4.4096290E+00         -9.38604940252E-02      
 21      2.2494490E+00         -2.28693498831E-01      
 22      1.1261150E+00         -2.47681411118E-01      
S   1
  1      5.1548600E-01          1.0000000        
S   1
  1      2.4257800E-01          1.0000000        
S   1
  1      1.0708600E-01          1.0000000        
S   1
  1      4.6988000E-02          1.0000000        
P   13
  1      3.2152190E+04          3.52451112444E-05      
  2      7.6093842E+03          2.87839263414E-04      
  3      2.4714744E+03          1.59754799455E-03      
  4      9.4606363E+02          6.94181776466E-03      
  5      4.0194711E+02          2.46904246678E-02      
  6      1.8364688E+02          7.24816874321E-02      
  7      8.8533264E+01          1.69321817037E-01      
  8      4.4270355E+01          2.96109268164E-01      
  9      2.2723083E+01          3.45832030077E-01      
 10      1.1823141E+01          2.13410636522E-01      
 11      6.0421350E+00          5.03033680785E-02      
 12      3.0317540E+00          2.97487153326E-03      
 13      1.4933660E+00          6.65122554586E-04      
P   13
  1      3.2152190E+04         -1.34257551850E-05      
  2      7.6093842E+03         -1.09593983625E-04      
  3      2.4714744E+03         -6.10562073109E-04      
  4      9.4606363E+02         -2.66321352919E-03      
  5      4.0194711E+02         -9.59356252753E-03      
  6      1.8364688E+02         -2.87663036312E-02      
  7      8.8533264E+01         -6.98268418309E-02      
  8      4.4270355E+01         -1.27719526797E-01      
  9      2.2723083E+01         -1.56843104911E-01      
 10      1.1823141E+01         -3.74707120258E-02      
 11      6.0421350E+00          2.49045750884E-01      
 12      3.0317540E+00          4.46494254766E-01      
 13      1.4933660E+00          3.48251721403E-01      
P   13
  1      3.2152190E+04          2.17857832796E-06      
  2      7.6093842E+03          1.79742724911E-05      
  3      2.4714744E+03          9.90672054565E-05      
  4      9.4606363E+02          4.37158452245E-04      
  5      4.0194711E+02          1.55888857858E-03      
  6      1.8364688E+02          4.74125999267E-03      
  7      8.8533264E+01          1.13963974502E-02      
  8      4.4270355E+01          2.13298588969E-02      
  9      2.2723083E+01          2.55577166136E-02      
 10      1.1823141E+01          5.72712236662E-03      
 11      6.0421350E+00         -5.10623403016E-02      
 12      3.0317540E+00         -8.42038270399E-02      
 13      1.4933660E+00         -8.93318671336E-02      
P   1
  1      7.0972700E-01          1.0000000        
P   1
  1      2.4859300E-01          1.0000000        
P   1
  1      9.4395000E-02          1.0000000        
P   1
  1      3.5887000E-02          1.0000000        
D   9
  1      1.0405046E+03          9.22897943073E-05      
  2      3.1459714E+02          8.75255545814E-04      
  3      1.2278760E+02          5.03219105155E-03      
  4      5.4760369E+01          1.98907150840E-02      
  5      2.6298944E+01          5.79236803378E-02      
  6      1.3263445E+01          1.30757285904E-01      
  7      6.8850650E+00          2.20471369005E-01      
  8      3.5795250E+00          2.81277207768E-01      
  9      1.8315640E+00          2.83043865966E-01      
D   1
  1      9.1290900E-01          1.0000000        
D   1
  1      4.3534000E-01          1.0000000        
D   1
  1      1.8851800E-01          1.0000000        
D   1
  1      7.5800000E-02          1.0000000        
F   1
  1      5.9600000E-01          1.0000000        
F   1
  1      2.8260000E-01          1.0000000        
F   1
  1      1.3400000E-01          1.0000000        
G   1
  1      6.1460000E-01          1.0000000        
G   1
  1      2.7500000E-01          1.0000000        
H   1
  1      4.9860000E-01          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   22
  1      1.2200119E+08          1.32226326978E-07      
  2      1.8257470E+07          1.92874933415E-06      
  3      4.1508215E+06          1.05133097934E-05      
  4      1.1741018E+06          4.44267283376E-05      
  5      3.8230915E+05          1.60633901424E-04      
  6      1.3760796E+05          5.21925469816E-04      
  7      5.3419242E+04          1.56128535904E-03      
  8      2.2005756E+04          4.36444595024E-03      
  9      9.5138479E+03          1.14682366814E-02      
 10      4.2841756E+03          2.82611017628E-02      
 11      1.9991664E+03          6.43770564189E-02      
 12      9.6324716E+02          1.31504920435E-01      
 13      4.7780500E+02          2.27632710757E-01      
 14      2.4331589E+02          3.01489153078E-01      
 15      1.2663999E+02          2.55060046997E-01      
 16      6.6783579E+01          1.03439940847E-01      
 17      3.4416084E+01          1.19587950262E-02      
 18      1.8372814E+01          3.75266842894E-04      
 19      9.8054610E+00          7.09757140446E-05      
 20      4.9694030E+00         -4.80455392365E-05      
 21      2.5486230E+00         -2.97192658426E-05      
 22      1.2845940E+00         -2.01655251618E-06      
S   22
  1      1.2200119E+08         -4.20866341552E-08      
  2      1.8257470E+07         -6.13794458921E-07      
  3      4.1508215E+06         -3.34665732069E-06      
  4      1.1741018E+06         -1.41401195801E-05      
  5      3.8230915E+05         -5.11607543019E-05      
  6      1.3760796E+05         -1.66270650481E-04      
  7      5.3419242E+04         -4.98402835266E-04      
  8      2.2005756E+04         -1.39701341954E-03      
  9      9.5138479E+03         -3.69966803739E-03      
 10      4.2841756E+03         -9.24494298145E-03      
 11      1.9991664E+03         -2.17189840130E-02      
 12      9.6324716E+02         -4.69690175289E-02      
 13      4.7780500E+02         -9.09529035823E-02      
 14      2.4331589E+02         -1.46725887622E-01      
 15      1.2663999E+02         -1.68130985629E-01      
 16      6.6783579E+01         -4.50227650122E-02      
 17      3.4416084E+01          2.89106496749E-01      
 18      1.8372814E+01          5.23612787572E-01      
 19      9.8054610E+00          3.07016325779E-01      
 20      4.9694030E+00          4.85852371575E-02      
 21      2.5486230E+00          1.47093001428E-03      
 22      1.2845940E+00          1.19554774636E-03      
S   22
  1      1.2200119E+08          1.62774788950E-08      
  2      1.8257470E+07          2.37345186701E-07      
  3      4.1508215E+06          1.29438687876E-06      
  4      1.1741018E+06          5.46757575375E-06      
  5      3.8230915E+05          1.97899758914E-05      
  6      1.3760796E+05          6.42952489727E-05      
  7      5.3419242E+04          1.92861872581E-04      
  8      2.2005756E+04          5.40497397576E-04      
  9      9.5138479E+03          1.43365761848E-03      
 10      4.2841756E+03          3.58642031283E-03      
 11      1.9991664E+03          8.46560798969E-03      
 12      9.6324716E+02          1.84254880329E-02      
 13      4.7780500E+02          3.62543283324E-02      
 14      2.4331589E+02          6.00098458085E-02      
 15      1.2663999E+02          7.22281045149E-02      
 16      6.6783579E+01          1.97278750925E-02      
 17      3.4416084E+01         -1.59790092478E-01      
 18      1.8372814E+01         -4.01176868738E-01      
 19      9.8054610E+00         -2.99821092587E-01      
 20      4.9694030E+00          2.61615752683E-01      
 21      2.5486230E+00          6.43370503292E-01      
 22      1.2845940E+00          3.74799864573E-01      
S   22
  1      1.2200119E+08         -4.20644505229E-09      
  2      1.8257470E+07         -6.13306001763E-08      
  3      4.1508215E+06         -3.34498849063E-07      
  4      1.1741018E+06         -1.41280866821E-06      
  5      3.8230915E+05         -5.11434861851E-06      
  6      1.3760796E+05         -1.66135684443E-05      
  7      5.3419242E+04         -4.98449505777E-05      
  8      2.2005756E+04         -1.39669298098E-04      
  9      9.5138479E+03         -3.70607938683E-04      
 10      4.2841756E+03         -9.27083875760E-04      
 11      1.9991664E+03         -2.19023780576E-03      
 12      9.6324716E+02         -4.77013254266E-03      
 13      4.7780500E+02         -9.40954700556E-03      
 14      2.4331589E+02         -1.56243027867E-02      
 15      1.2663999E+02         -1.89486638433E-02      
 16      6.6783579E+01         -5.18418067563E-03      
 17      3.4416084E+01          4.33838446788E-02      
 18      1.8372814E+01          1.14665913345E-01      
 19      9.8054610E+00          8.77380600041E-02      
 20      4.9694030E+00         -9.09338518905E-02      
 21      2.5486230E+00         -2.58960096123E-01      
 22      1.2845940E+00         -2.89801943811E-01      
S   1
  1      5.8335300E-01          1.0000000        
S   1
  1      2.9343900E-01          1.0000000        
S   1
  1      1.3267200E-01          1.0000000        
S   1
  1      5.9239000E-02          1.0000000        
P   13
  1      3.2314970E+04          3.96553500694E-05      
  2      7.6482002E+03          3.22694763001E-04      
  3      2.4842114E+03          1.78534118029E-03      
  4      9.5100305E+02          7.72501546144E-03      
  5      4.0404833E+02          2.73112880876E-02      
  6      1.8460354E+02          7.93706682417E-02      
  7      8.8964128E+01          1.82135201275E-01      
  8      4.4447742E+01          3.09408748311E-01      
  9      2.2799075E+01          3.41844670160E-01      
 10      1.1835928E+01          1.92033728901E-01      
 11      6.0112940E+00          3.92805190095E-02      
 12      2.9957840E+00          1.97789144367E-03      
 13      1.4695700E+00          4.43783009696E-04      
P   13
  1      3.2314970E+04         -1.53359690495E-05      
  2      7.6482002E+03         -1.24772049411E-04      
  3      2.4842114E+03         -6.92908694077E-04      
  4      9.5100305E+02         -3.01142038705E-03      
  5      4.0404833E+02         -1.07899238077E-02      
  6      1.8460354E+02         -3.20861316154E-02      
  7      8.8964128E+01         -7.66117135712E-02      
  8      4.4447742E+01         -1.36502094205E-01      
  9      2.2799075E+01         -1.56624615670E-01      
 10      1.1835928E+01         -9.18817632626E-03      
 11      6.0112940E+00          2.91789594179E-01      
 12      2.9957840E+00          4.62070767800E-01      
 13      1.4695700E+00          3.11379577934E-01      
P   13
  1      3.2314970E+04          2.99353953288E-06      
  2      7.6482002E+03          2.44527365555E-05      
  3      2.4842114E+03          1.35283244163E-04      
  4      9.5100305E+02          5.90726631339E-04      
  5      4.0404833E+02          2.11049526860E-03      
  6      1.8460354E+02          6.32088239996E-03      
  7      8.8964128E+01          1.50783628534E-02      
  8      4.4447742E+01          2.72147839666E-02      
  9      2.2799075E+01          3.09808353369E-02      
 10      1.1835928E+01         -3.80588363537E-04      
 11      6.0112940E+00         -7.04066507026E-02      
 12      2.9957840E+00         -1.11134401376E-01      
 13      1.4695700E+00         -9.66750282933E-02      
P   1
  1      6.9068100E-01          1.0000000        
P   1
  1      2.8616000E-01          1.0000000        
P   1
  1      1.1774200E-01          1.0000000        
P   1
  1      4.7385000E-02          1.0000000        
D   9
  1      1.2267982E+03          7.93068320146E-05      
  2      3.7123223E+02          7.56029993587E-04      
  3      1.4489099E+02          4.40628294138E-03      
  4      6.4604130E+01          1.78884199195E-02      
  5      3.1039737E+01          5.35933100792E-02      
  6      1.5643870E+01          1.24869411792E-01      
  7      8.1258220E+00          2.17778815195E-01      
  8      4.2397620E+00          2.84786846499E-01      
  9      2.1863860E+00          2.89428817146E-01      
D   1
  1      1.1038710E+00          1.0000000        
D   1
  1      5.3381100E-01          1.0000000        
D   1
  1      2.3135500E-01          1.0000000        
D   1
  1      9.5300000E-02          1.0000000        
F   1
  1      6.7090000E-01          1.0000000        
F   1
  1      3.2970000E-01          1.0000000        
F   1
  1      1.6300000E-01          1.0000000        
G   1
  1      7.0340000E-01          1.0000000        
G   1
  1      3.1600000E-01          1.0000000        
H   1
  1      5.8150000E-01          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: As
data:
ARSENIC
S   22
  1      1.3750753E+08          1.13465136480E-07      
  2      2.0515052E+07          1.80307399333E-06      
  3      4.6487164E+06          9.96628129037E-06      
  4      1.3112646E+06          4.22522743460E-05      
  5      4.2618586E+05          1.52963582192E-04      
  6      1.5323706E+05          4.96990336810E-04      
  7      5.9459404E+04          1.48571607742E-03      
  8      2.4492812E+04          4.15004271979E-03      
  9      1.0590253E+04          1.09008259552E-02      
 10      4.7697841E+03          2.68728841506E-02      
 11      2.2263698E+03          6.13342605273E-02      
 12      1.0730862E+03          1.25926452275E-01      
 13      5.3250059E+02          2.20336136924E-01      
 14      2.7129755E+02          2.98112174435E-01      
 15      1.4131195E+02          2.62425060927E-01      
 16      7.4584433E+01          1.14303368569E-01      
 17      3.8298338E+01          1.48331355760E-02      
 18      2.0469130E+01          1.98046232317E-04      
 19      1.0939578E+01          2.03412417249E-04      
 20      5.5903670E+00         -1.11301533117E-04      
 21      2.8828590E+00          3.82634325732E-06      
 22      1.4660860E+00         -2.13056147461E-05      
S   22
  1      1.3750753E+08         -3.62876902055E-08      
  2      2.0515052E+07         -5.76521199325E-07      
  3      4.6487164E+06         -3.18765167256E-06      
  4      1.3112646E+06         -1.35117360780E-05      
  5      4.2618586E+05         -4.89503376705E-05      
  6      1.5323706E+05         -1.59072272487E-04      
  7      5.9459404E+04         -4.76519162523E-04      
  8      2.4492812E+04         -1.33440713644E-03      
  9      1.0590253E+04         -3.53191281039E-03      
 10      4.7697841E+03         -8.82291083709E-03      
 11      2.2263698E+03         -2.07448662123E-02      
 12      1.0730862E+03         -4.49741997374E-02      
 13      5.3250059E+02         -8.76350547051E-02      
 14      2.7129755E+02         -1.43207576543E-01      
 15      1.4131195E+02         -1.69792644511E-01      
 16      7.4584433E+01         -5.96744106784E-02      
 17      3.8298338E+01          2.66035521563E-01      
 18      2.0469130E+01          5.22248495683E-01      
 19      1.0939578E+01          3.27711308643E-01      
 20      5.5903670E+00          5.68936095644E-02      
 21      2.8828590E+00          1.80965677904E-03      
 22      1.4660860E+00          1.29210552686E-03      
S   22
  1      1.3750753E+08          1.41819253958E-08      
  2      2.0515052E+07          2.25273531485E-07      
  3      4.6487164E+06          1.24581063299E-06      
  4      1.3112646E+06          5.27951080610E-06      
  5      4.2618586E+05          1.91332733894E-05      
  6      1.5323706E+05          6.21585904511E-05      
  7      5.9459404E+04          1.86322898400E-04      
  8      2.4492812E+04          5.21701217026E-04      
  9      1.0590253E+04          1.38290882147E-03      
 10      4.7697841E+03          3.45842049668E-03      
 11      2.2263698E+03          8.16860560868E-03      
 12      1.0730862E+03          1.78208981327E-02      
 13      5.3250059E+02          3.52617314040E-02      
 14      2.7129755E+02          5.90797688479E-02      
 15      1.4131195E+02          7.34670877187E-02      
 16      7.4584433E+01          2.67099474365E-02      
 17      3.8298338E+01         -1.47414936998E-01      
 18      2.0469130E+01         -3.96330058611E-01      
 19      1.0939578E+01         -3.25262456366E-01      
 20      5.5903670E+00          2.25383873038E-01      
 21      2.8828590E+00          6.48010927251E-01      
 22      1.4660860E+00          3.99811514574E-01      
S   22
  1      1.3750753E+08         -3.93782879308E-09      
  2      2.0515052E+07         -6.25399903684E-08      
  3      4.6487164E+06         -3.45919088695E-07      
  4      1.3112646E+06         -1.46562039721E-06      
  5      4.2618586E+05         -5.31300412510E-06      
  6      1.5323706E+05         -1.72547841623E-05      
  7      5.9459404E+04         -5.17444054619E-05      
  8      2.4492812E+04         -1.44822685662E-04      
  9      1.0590253E+04         -3.84153426697E-04      
 10      4.7697841E+03         -9.60334684042E-04      
 11      2.2263698E+03         -2.27117676395E-03      
 12      1.0730862E+03         -4.95557754111E-03      
 13      5.3250059E+02         -9.83649240833E-03      
 14      2.7129755E+02         -1.65186467466E-02      
 15      1.4131195E+02         -2.07282339420E-02      
 16      7.4584433E+01         -7.51886042652E-03      
 17      3.8298338E+01          4.29267059744E-02      
 18      2.0469130E+01          1.21989786119E-01      
 19      1.0939578E+01          1.02614211988E-01      
 20      5.5903670E+00         -8.40580208324E-02      
 21      2.8828590E+00         -2.82784741438E-01      
 22      1.4660860E+00         -3.27789572538E-01      
S   1
  1      6.7483900E-01          1.0000000        
S   1
  1      3.4639900E-01          1.0000000        
S   1
  1      1.5928900E-01          1.0000000        
S   1
  1      7.2109000E-02          1.0000000        
P   13
  1      3.4166161E+04          4.08653873247E-05      
  2      8.0865608E+03          3.30888586812E-04      
  3      2.6265114E+03          1.82591070440E-03      
  4      1.0053950E+03          7.88807903976E-03      
  5      4.2712735E+02          2.78557375065E-02      
  6      1.9515113E+02          8.08172110525E-02      
  7      9.4054308E+01          1.84893922009E-01      
  8      4.6999880E+01          3.12306667247E-01      
  9      2.4117457E+01          3.40543716612E-01      
 10      1.2519982E+01          1.87070764325E-01      
 11      6.3573250E+00          3.70176658458E-02      
 12      3.1680520E+00          1.78460209489E-03      
 13      1.5534810E+00          3.25877441524E-04      
P   13
  1      3.4166161E+04         -1.60412692225E-05      
  2      8.0865608E+03         -1.29892127188E-04      
  3      2.6265114E+03         -7.19362959400E-04      
  4      1.0053950E+03         -3.12249381203E-03      
  5      4.2712735E+02         -1.11756155271E-02      
  6      1.9515113E+02         -3.32004271926E-02      
  7      9.4054308E+01         -7.90603952170E-02      
  8      4.6999880E+01         -1.40261357732E-01      
  9      2.4117457E+01         -1.57910053486E-01      
 10      1.2519982E+01         -1.28091804154E-03      
 11      6.3573250E+00          3.06006055085E-01      
 12      3.1680520E+00          4.70276624599E-01      
 13      1.5534810E+00          2.97187369323E-01      
P   13
  1      3.4166161E+04          3.54063173171E-06      
  2      8.0865608E+03          2.86732091896E-05      
  3      2.6265114E+03          1.58843943460E-04      
  4      1.0053950E+03          6.89946155322E-04      
  5      4.2712735E+02          2.47289958066E-03      
  6      1.9515113E+02          7.36776530253E-03      
  7      9.4054308E+01          1.76250986564E-02      
  8      4.6999880E+01          3.14754603507E-02      
  9      2.4117457E+01          3.55774727705E-02      
 10      1.2519982E+01         -3.32913535667E-03      
 11      6.3573250E+00         -8.29102507767E-02      
 12      3.1680520E+00         -1.33857285200E-01      
 13      1.5534810E+00         -1.00212196871E-01      
P   1
  1      7.1032500E-01          1.0000000        
P   1
  1      3.2095500E-01          1.0000000        
P   1
  1      1.3935700E-01          1.0000000        
P   1
  1      5.8410000E-02          1.0000000        
D   9
  1      1.4244506E+03          6.96781975903E-05      
  2      4.3106676E+02          6.67870977919E-04      
  3      1.6812864E+02          3.94110294942E-03      
  4      7.4866724E+01          1.63852858436E-02      
  5      3.5945855E+01          5.03488378847E-02      
  6      1.8098474E+01          1.20324976231E-01      
  7      9.4057800E+00          2.15464164901E-01      
  8      4.9239040E+00          2.87431700970E-01      
  9      2.5564930E+00          2.94489220889E-01      
D   1
  1      1.3042330E+00          1.0000000        
D   1
  1      6.3711800E-01          1.0000000        
D   1
  1      2.7579500E-01          1.0000000        
D   1
  1      1.1530000E-01          1.0000000        
F   1
  1      7.5990000E-01          1.0000000        
F   1
  1      3.8590000E-01          1.0000000        
F   1
  1      1.9600000E-01          1.0000000        
G   1
  1      8.0920000E-01          1.0000000        
G   1
  1      3.7000000E-01          1.0000000        
H   1
  1      6.7730000E-01          1.0000000


name: cc-pV5Z(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Se
data:
SELENIUM
S   22
  1      1.5443225E+08          9.35927592818E-08      
  2      2.3129212E+07          1.65807734963E-06      
  3      5.2617929E+06          9.24973321296E-06      
  4      1.4888167E+06          3.91256198813E-05      
  5      4.8465656E+05          1.41533234569E-04      
  6      1.7427063E+05          4.60162864980E-04      
  7      6.7529090E+04          1.37910250090E-03      
  8      2.7750837E+04          3.86567154984E-03      
  9      1.1964216E+04          1.01975026245E-02      
 10      5.3707148E+03          2.52862325982E-02      
 11      2.4973194E+03          5.81818994124E-02      
 12      1.1987679E+03          1.20734736300E-01      
 13      5.9258026E+02          2.14237855025E-01      
 14      3.0097708E+02          2.95829485372E-01      
 15      1.5646024E+02          2.69134900338E-01      
 16      8.2476086E+01          1.23846570947E-01      
 17      4.2270887E+01          1.75153273199E-02      
 18      2.2630220E+01          7.75733497495E-05      
 19      1.2122374E+01          3.13197796308E-04      
 20      6.2491700E+00         -1.65452379081E-04      
 21      3.2426780E+00          3.30099339972E-05      
 22      1.6663620E+00         -3.90147335121E-05      
S   22
  1      1.5443225E+08         -3.00711958357E-08      
  2      2.3129212E+07         -5.32602170589E-07      
  3      5.2617929E+06         -2.97214124655E-06      
  4      1.4888167E+06         -1.25694742191E-05      
  5      4.8465656E+05         -4.55014198679E-05      
  6      1.7427063E+05         -1.47957099973E-04      
  7      6.7529090E+04         -4.44321890036E-04      
  8      2.7750837E+04         -1.24835385250E-03      
  9      1.1964216E+04         -3.31726371366E-03      
 10      5.3707148E+03         -8.32921638380E-03      
 11      2.4973194E+03         -1.97174182199E-02      
 12      1.1987679E+03         -4.31026622570E-02      
 13      5.9258026E+02         -8.48240904691E-02      
 14      3.0097708E+02         -1.40524616513E-01      
 15      1.5646024E+02         -1.71268936654E-01      
 16      8.2476086E+01         -7.14049066779E-02      
 17      4.2270887E+01          2.46359417940E-01      
 18      2.2630220E+01          5.18856374782E-01      
 19      1.2122374E+01          3.45093325841E-01      
 20      6.2491700E+00          6.52689182145E-02      
 21      3.2426780E+00          2.25365455542E-03      
 22      1.6663620E+00          1.38221321739E-03      
S   22
  1      1.5443225E+08          1.18734881228E-08      
  2      2.3129212E+07          2.10257474026E-07      
  3      5.2617929E+06          1.17353682410E-06      
  4      1.4888167E+06          4.96199275303E-06      
  5      4.8465656E+05          1.79680593209E-05      
  6      1.7427063E+05          5.84118654223E-05      
  7      6.7529090E+04          1.75516357984E-04      
  8      2.7750837E+04          4.93087734585E-04      
  9      1.1964216E+04          1.31210696125E-03      
 10      5.3707148E+03          3.29823899078E-03      
 11      2.4973194E+03          7.84141295639E-03      
 12      1.1987679E+03          1.72476231137E-02      
 13      5.9258026E+02          3.44463156221E-02      
 14      3.0097708E+02          5.84782071303E-02      
 15      1.5646024E+02          7.46613123127E-02      
 16      8.2476086E+01          3.24214087780E-02      
 17      4.2270887E+01         -1.37173034051E-01      
 18      2.2630220E+01         -3.91472941510E-01      
 19      1.2122374E+01         -3.46229565911E-01      
 20      6.2491700E+00          1.91471516092E-01      
 21      3.2426780E+00          6.49052181454E-01      
 22      1.6663620E+00          4.22840676819E-01      
S   22
  1      1.5443225E+08         -3.48760264608E-09      
  2      2.3129212E+07         -6.17467327824E-08      
  3      5.2617929E+06         -3.44699200165E-07      
  4      1.4888167E+06         -1.45712848606E-06      
  5      4.8465656E+05         -5.27806373852E-06      
  6      1.7427063E+05         -1.71522897635E-05      
  7      6.7529090E+04         -5.15630103135E-05      
  8      2.7750837E+04         -1.44793987452E-04      
  9      1.1964216E+04         -3.85570523463E-04      
 10      5.3707148E+03         -9.68805439491E-04      
 11      2.4973194E+03         -2.30631781842E-03      
 12      1.1987679E+03         -5.07342432329E-03      
 13      5.9258026E+02         -1.01649178148E-02      
 14      3.0097708E+02         -1.72957960413E-02      
 15      1.5646024E+02         -2.22863507157E-02      
 16      8.2476086E+01         -9.67175915359E-03      
 17      4.2270887E+01          4.22548615213E-02      
 18      2.2630220E+01          1.27617166515E-01      
 19      1.2122374E+01          1.16108530062E-01      
 20      6.2491700E+00         -7.57776555521E-02      
 21      3.2426780E+00         -3.01119756538E-01      
 22      1.6663620E+00         -3.62601613448E-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          4.12463600945E-05      
  2      8.6405510E+03          3.32280960511E-04      
  3      2.8056911E+03          1.82980774120E-03      
  4      1.0734961E+03          7.90290052876E-03      
  5      4.5577475E+02          2.79371232009E-02      
  6      2.0809432E+02          8.11644001127E-02      
  7      1.0023111E+02          1.85848348004E-01      
  8      5.0073522E+01          3.13595789617E-01      
  9      2.5700262E+01          3.40051841005E-01      
 10      1.3346792E+01          1.84973556464E-01      
 11      6.7870510E+00          3.61207798437E-02      
 12      3.3916540E+00          1.69625094445E-03      
 13      1.6703270E+00          2.33101218702E-04      
P   13
  1      3.6511337E+04         -1.64254231454E-05      
  2      8.6405510E+03         -1.32362196206E-04      
  3      2.8056911E+03         -7.31381415229E-04      
  4      1.0734961E+03         -3.17480268438E-03      
  5      4.5577475E+02         -1.13732792942E-02      
  6      2.0809432E+02         -3.38512040996E-02      
  7      1.0023111E+02         -8.06900041782E-02      
  8      5.0073522E+01         -1.43181650011E-01      
  9      2.5700262E+01         -1.59630849691E-01      
 10      1.3346792E+01          2.69396304073E-03      
 11      6.7870510E+00          3.14745527404E-01      
 12      3.3916540E+00          4.75820146202E-01      
 13      1.6703270E+00          2.86403603851E-01      
P   13
  1      3.6511337E+04          3.96539821207E-06      
  2      8.6405510E+03          3.18979966129E-05      
  3      2.8056911E+03          1.76664080552E-04      
  4      1.0734961E+03          7.65865520218E-04      
  5      4.5577475E+02          2.75349321279E-03      
  6      2.0809432E+02          8.20265736890E-03      
  7      1.0023111E+02          1.96979851899E-02      
  8      5.0073522E+01          3.50812207264E-02      
  9      2.5700262E+01          3.95051557410E-02      
 10      1.3346792E+01         -5.41883899360E-03      
 11      6.7870510E+00         -9.33858906344E-02      
 12      3.3916540E+00         -1.53362583417E-01      
 13      1.6703270E+00         -1.01030733559E-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          6.21663881709E-05      
  2      4.9467266E+02          5.98715170313E-04      
  3      1.9284388E+02          3.56730463142E-03      
  4      8.5782195E+01          1.51297269603E-02      
  5      4.1149966E+01          4.76149410318E-02      
  6      2.0678170E+01          1.16700762524E-01      
  7      1.0726386E+01          2.14540416551E-01      
  8      5.6124540E+00          2.91520565279E-01      
  9      2.9203760E+00          2.99737286868E-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(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Br
data:
BROMINE
S   22
  1      1.6573515E+08          8.79166977131E-08      
  2      2.4774379E+07          1.64371595722E-06      
  3      5.6282020E+06          9.23653205269E-06      
  4      1.5918997E+06          3.90571538043E-05      
  5      5.1826380E+05          1.41092950363E-04      
  6      1.8649092E+05          4.57682360220E-04      
  7      7.2332493E+04          1.36854192864E-03      
  8      2.9761135E+04          3.82508690938E-03      
  9      1.2851712E+04          1.00575104977E-02      
 10      5.7809430E+03          2.48484287367E-02      
 11      2.6950098E+03          5.69672804345E-02      
 12      1.2976604E+03          1.17930378891E-01      
 13      6.4363493E+02          2.09545229752E-01      
 14      3.2795194E+02          2.92120793532E-01      
 15      1.7092262E+02          2.72110173557E-01      
 16      9.0250141E+01          1.30954180101E-01      
 17      4.6292467E+01          1.99335524991E-02      
 18      2.4848661E+01         -1.94924148079E-05      
 19      1.3347137E+01          4.17684538373E-04      
 20      6.9482580E+00         -2.20168511049E-04      
 21      3.6250750E+00          6.32092795516E-05      
 22      1.8821530E+00         -5.79342559247E-05      
S   22
  1      1.6573515E+08         -2.83747186284E-08      
  2      2.4774379E+07         -5.30362702459E-07      
  3      5.6282020E+06         -2.98124707392E-06      
  4      1.5918997E+06         -1.26039777141E-05      
  5      5.1826380E+05         -4.55643125281E-05      
  6      1.8649092E+05         -1.47823498589E-04      
  7      7.2332493E+04         -4.42910512331E-04      
  8      2.9761135E+04         -1.24080184160E-03      
  9      1.2851712E+04         -3.28626795055E-03      
 10      5.7809430E+03         -8.21975889297E-03      
 11      2.6950098E+03         -1.93789261586E-02      
 12      1.2976604E+03         -4.22108913642E-02      
 13      6.4363493E+02         -8.29695522363E-02      
 14      3.2795194E+02         -1.38042927653E-01      
 15      1.7092262E+02         -1.71246203053E-01      
 16      9.0250141E+01         -7.96810764034E-02      
 17      4.6292467E+01          2.29690943734E-01      
 18      2.4848661E+01          5.14215937042E-01      
 19      1.3347137E+01          3.59445591435E-01      
 20      6.9482580E+00          7.33381125568E-02      
 21      3.6250750E+00          2.97738059665E-03      
 22      1.8821530E+00          1.37434071791E-03      
S   22
  1      1.6573515E+08          1.13152137887E-08      
  2      2.4774379E+07          2.11462949298E-07      
  3      5.6282020E+06          1.18885102529E-06      
  4      1.5918997E+06          5.02531216069E-06      
  5      5.1826380E+05          1.81719130433E-05      
  6      1.8649092E+05          5.89426539669E-05      
  7      7.2332493E+04          1.76698755283E-04      
  8      2.9761135E+04          4.95011328276E-04      
  9      1.2851712E+04          1.31276654562E-03      
 10      5.7809430E+03          3.28748919311E-03      
 11      2.6950098E+03          7.78305835928E-03      
 12      1.2976604E+03          1.70582535753E-02      
 13      6.4363493E+02          3.40153032283E-02      
 14      3.2795194E+02          5.79747606625E-02      
 15      1.7092262E+02          7.52606780061E-02      
 16      9.0250141E+01          3.65982959094E-02      
 17      4.6292467E+01         -1.28757743600E-01      
 18      2.4848661E+01         -3.86802512434E-01      
 19      1.3347137E+01         -3.63660203812E-01      
 20      6.9482580E+00          1.60512721909E-01      
 21      3.6250750E+00          6.47921188535E-01      
 22      1.8821530E+00          4.43691388659E-01      
S   22
  1      1.6573515E+08         -3.47869428136E-09      
  2      2.4774379E+07         -6.49972497006E-08      
  3      5.6282020E+06         -3.65487495535E-07      
  4      1.5918997E+06         -1.54455104067E-06      
  5      5.1826380E+05         -5.58698106690E-06      
  6      1.8649092E+05         -1.81153592949E-05      
  7      7.2332493E+04         -5.43325295554E-05      
  8      2.9761135E+04         -1.52137669138E-04      
  9      1.2851712E+04         -4.03769297977E-04      
 10      5.7809430E+03         -1.01068304035E-03      
 11      2.6950098E+03         -2.39606758807E-03      
 12      1.2976604E+03         -5.25181489346E-03      
 13      6.4363493E+02         -1.05071983730E-02      
 14      3.2795194E+02         -1.79475328897E-02      
 15      1.7092262E+02         -2.35195786916E-02      
 16      9.0250141E+01         -1.14380040347E-02      
 17      4.6292467E+01          4.15199901314E-02      
 18      2.4848661E+01          1.32146363346E-01      
 19      1.3347137E+01          1.28158200841E-01      
 20      6.9482580E+00         -6.66553059071E-02      
 21      3.6250750E+00         -3.16072290358E-01      
 22      1.8821530E+00         -3.93789125707E-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          4.08553668344E-05      
  2      9.3252225E+03          3.27011754394E-04      
  3      3.0289943E+03          1.79459975877E-03      
  4      1.1595145E+03          7.73600405309E-03      
  5      4.9268131E+02          2.73298083256E-02      
  6      2.2517451E+02          7.94850374697E-02      
  7      1.0859326E+02          1.82701372603E-01      
  8      5.4336079E+01          3.10497015948E-01      
  9      2.7936650E+01          3.40916219195E-01      
 10      1.4539626E+01          1.89565499895E-01      
 11      7.4213070E+00          3.83827930276E-02      
 12      3.7303890E+00          1.78887008408E-03      
 13      1.8541270E+00          2.16378111777E-04      
P   13
  1      3.9391530E+04         -1.64956324125E-05      
  2      9.3252225E+03         -1.32089384868E-04      
  3      3.0289943E+03         -7.27280714909E-04      
  4      1.1595145E+03         -3.15126732891E-03      
  5      4.9268131E+02         -1.12796059142E-02      
  6      2.2517451E+02         -3.36068862688E-02      
  7      1.0859326E+02         -8.04017956632E-02      
  8      5.4336079E+01         -1.43739855508E-01      
  9      2.7936650E+01         -1.62488833930E-01      
 10      1.4539626E+01         -3.11844095576E-03      
 11      7.4213070E+00          3.11182355982E-01      
 12      3.7303890E+00          4.79464403190E-01      
 13      1.8541270E+00          2.87403576351E-01      
P   13
  1      3.9391530E+04          4.26675412195E-06      
  2      9.3252225E+03          3.40866211091E-05      
  3      3.0289943E+03          1.88231603794E-04      
  4      1.1595145E+03          8.14049882118E-04      
  5      4.9268131E+02          2.92636778545E-03      
  6      2.2517451E+02          8.72172444478E-03      
  7      1.0859326E+02          2.10428790894E-02      
  8      5.4336079E+01          3.77310545068E-02      
  9      2.7936650E+01          4.31865464117E-02      
 10      1.4539626E+01         -4.49146939670E-03      
 11      7.4213070E+00         -9.96239641866E-02      
 12      3.7303890E+00         -1.68927763379E-01      
 13      1.8541270E+00         -1.06649030518E-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          5.69072254850E-05      
  2      5.5707125E+02          5.55694584184E-04      
  3      2.1648687E+02          3.34767331766E-03      
  4      9.6138850E+01          1.43924992025E-02      
  5      4.6126380E+01          4.59259180002E-02      
  6      2.3201164E+01          1.14097663462E-01      
  7      1.2055926E+01          2.13169088437E-01      
  8      6.3255450E+00          2.93851545228E-01      
  9      3.3049220E+00          3.03675883490E-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(fi/sf/sc)
description: V5Z4P Relativistic Valence Quintuple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   22
  1      1.8282209E+08          7.32129433614E-08      
  2      2.7356156E+07          1.54461916193E-06      
  3      6.2211704E+06          8.81729306383E-06      
  4      1.7602779E+06          3.72980512010E-05      
  5      5.7319382E+05          1.34729590984E-04      
  6      2.0625845E+05          4.36629325082E-04      
  7      8.0026669E+04          1.30361032557E-03      
  8      3.2939084E+04          3.64071079803E-03      
  9      1.4222633E+04          9.57789815549E-03      
 10      6.3930707E+03          2.37129022133E-02      
 11      2.9764538E+03          5.45891178528E-02      
 12      1.4305254E+03          1.13797851693E-01      
 13      7.0792621E+02          2.04419125720E-01      
 14      3.5984847E+02          2.89736576569E-01      
 15      1.8714965E+02          2.77001746851E-01      
 16      9.8634523E+01          1.38849193919E-01      
 17      5.0547869E+01          2.24771606739E-02      
 18      2.7167004E+01         -8.51940828539E-05      
 19      1.4615098E+01          5.08802406285E-04      
 20      7.6513520E+00         -2.67597231249E-04      
 21      3.9972630E+00          8.86277953163E-05      
 22      2.0858530E+00         -7.36720840604E-05      
S   22
  1      1.8282209E+08         -2.37335870332E-08      
  2      2.7356156E+07         -5.00574442195E-07      
  3      6.2211704E+06         -2.85843035388E-06      
  4      1.7602779E+06         -1.20891436602E-05      
  5      5.7319382E+05         -4.37003669201E-05      
  6      2.0625845E+05         -1.41640408594E-04      
  7      8.0026669E+04         -4.23726917900E-04      
  8      3.2939084E+04         -1.18598709860E-03      
  9      1.4222633E+04         -3.14206520175E-03      
 10      6.3930707E+03         -7.87146353979E-03      
 11      2.9764538E+03         -1.86159222643E-02      
 12      1.4305254E+03         -4.07571915256E-02      
 13      7.0792621E+02         -8.07209987010E-02      
 14      3.5984847E+02         -1.35824836000E-01      
 15      1.8714965E+02         -1.72036082499E-01      
 16      9.8634523E+01         -8.81519643167E-02      
 17      5.0547869E+01          2.14322623384E-01      
 18      2.7167004E+01          5.09853378157E-01      
 19      1.4615098E+01          3.72440068907E-01      
 20      7.6513520E+00          8.08748478876E-02      
 21      3.9972630E+00          3.54240569227E-03      
 22      2.0858530E+00          1.38734473216E-03      
S   22
  1      1.8282209E+08          9.55486651401E-09      
  2      2.7356156E+07          2.01497481822E-07      
  3      6.2211704E+06          1.15075680466E-06      
  4      1.7602779E+06          4.86625656727E-06      
  5      5.7319382E+05          1.75947428443E-05      
  6      2.0625845E+05          5.70193023697E-05      
  7      8.0026669E+04          1.70654816670E-04      
  8      3.2939084E+04          4.77684306114E-04      
  9      1.4222633E+04          1.26705079562E-03      
 10      6.3930707E+03          3.17822517968E-03      
 11      2.9764538E+03          7.54613515831E-03      
 12      1.4305254E+03          1.66237045514E-02      
 13      7.0792621E+02          3.33821496368E-02      
 14      3.5984847E+02          5.75246171670E-02      
 15      1.8714965E+02          7.61593901606E-02      
 16      9.8634523E+01          4.09211122930E-02      
 17      5.0547869E+01         -1.21010204978E-01      
 18      2.7167004E+01         -3.82792576418E-01      
 19      1.4615098E+01         -3.79306980805E-01      
 20      7.6513520E+00          1.36728020620E-01      
 21      3.9972630E+00          6.52070873591E-01      
 22      2.0858530E+00          4.56997198462E-01      
S   22
  1      1.8282209E+08         -3.05124978766E-09      
  2      2.7356156E+07         -6.43258063523E-08      
  3      6.2211704E+06         -3.67463137031E-07      
  4      1.7602779E+06         -1.55339539834E-06      
  5      5.7319382E+05         -5.61893815095E-06      
  6      2.0625845E+05         -1.82002148610E-05      
  7      8.0026669E+04         -5.45068884830E-05      
  8      3.2939084E+04         -1.52471290334E-04      
  9      1.4222633E+04         -4.04816832443E-04      
 10      6.3930707E+03         -1.01472176011E-03      
 11      2.9764538E+03         -2.41327677534E-03      
 12      1.4305254E+03         -5.31486760455E-03      
 13      7.0792621E+02         -1.07125641494E-02      
 14      3.5984847E+02         -1.84909663878E-02      
 15      1.8714965E+02         -2.47351517514E-02      
 16      9.8634523E+01         -1.32700533872E-02      
 17      5.0547869E+01          4.04786283387E-02      
 18      2.7167004E+01          1.36113022380E-01      
 19      1.4615098E+01          1.39075394384E-01      
 20      7.6513520E+00         -5.85475183346E-02      
 21      3.9972630E+00         -3.34435021851E-01      
 22      2.0858530E+00         -4.20220147508E-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          3.96225850020E-05      
  2      1.0173723E+04          3.15348993133E-04      
  3      3.3031057E+03          1.72738660328E-03      
  4      1.2635400E+03          7.45506262377E-03      
  5      5.3636546E+02          2.64333762746E-02      
  6      2.4487617E+02          7.73211961311E-02      
  7      1.1799117E+02          1.79157406838E-01      
  8      5.9021248E+01          3.07519226502E-01      
  9      3.0356067E+01          3.42360830942E-01      
 10      1.5819977E+01          1.94570666674E-01      
 11      8.1045800E+00          4.08240321727E-02      
 12      4.0979640E+00          1.91427647388E-03      
 13      2.0560610E+00          1.95415348229E-04      
P   13
  1      4.2993056E+04         -1.62148977358E-05      
  2      1.0173723E+04         -1.29123159508E-04      
  3      3.3031057E+03         -7.09522466047E-04      
  4      1.2635400E+03         -3.07811900179E-03      
  5      5.3636546E+02         -1.10545682056E-02      
  6      2.4487617E+02         -3.31217406714E-02      
  7      1.1799117E+02         -7.98601036659E-02      
  8      5.9021248E+01         -1.44254026371E-01      
  9      3.0356067E+01         -1.65643202296E-01      
 10      1.5819977E+01         -9.48636594859E-03      
 11      8.1045800E+00          3.06955319514E-01      
 12      4.0979640E+00          4.82743037342E-01      
 13      2.0560610E+00          2.89365865188E-01      
P   13
  1      4.2993056E+04          4.40609224147E-06      
  2      1.0173723E+04          3.49951178322E-05      
  3      3.3031057E+03          1.92924554177E-04      
  4      1.2635400E+03          8.35128575553E-04      
  5      5.3636546E+02          3.01331134768E-03      
  6      2.4487617E+02          9.02943915801E-03      
  7      1.1799117E+02          2.19689272775E-02      
  8      5.9021248E+01          3.97964520597E-02      
  9      3.0356067E+01          4.63379286236E-02      
 10      1.5819977E+01         -3.09932782647E-03      
 11      8.1045800E+00         -1.04157795826E-01      
 12      4.0979640E+00         -1.81937718789E-01      
 13      2.0560610E+00         -1.11506387882E-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          5.27681179382E-05      
  2      6.2569371E+02          5.10366222276E-04      
  3      2.4394679E+02          3.07670113567E-03      
  4      1.0842373E+02          1.34041018840E-02      
  5      5.2005216E+01          4.36415370296E-02      
  6      2.6115405E+01          1.10803439306E-01      
  7      1.3546748E+01          2.11675999335E-01      
  8      7.1058100E+00          2.96399940389E-01      
  9      3.7215540E+00          3.07475131821E-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-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-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-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-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-RI
description: N/A
elt: H
data:
HYDROGEN
S   1
  1     23.321500000            1.0000000        
S   1
  1      4.9229700000           1.0000000        
S   1
  1      1.7751000000           1.0000000        
S   1
  1      0.99421800000          1.0000000        
S   1
  1      0.50605400000          1.0000000        
S   1
  1      0.23691100000          1.0000000        
P   1
  1      5.9745800000           1.0000000        
P   1
  1      2.0521700000           1.0000000        
P   1
  1      1.2486600000           1.0000000        
P   1
  1      0.80554500000          1.0000000        
P   1
  1      0.34789200000          1.0000000        
D   1
  1      3.8581600000           1.0000000        
D   1
  1      1.7106300000           1.0000000        
D   1
  1      0.97923700000          1.0000000        
D   1
  1      0.62536600000          1.0000000        
F   1
  1      3.1015100000           1.0000000        
F   1
  1      1.1981100000           1.0000000        
F   1
  1      0.57287300000          1.0000000        
G   1
  1      2.9878000000           1.0000000        
G   1
  1      1.2319200000           1.0000000        
H   1
  1      3.2473900000           1.0000000


name: cc-pV5Z-RI
description: N/A
elt: He
data:
HELIUM
S   1
  1     69.957700000            1.0000000        
S   1
  1     15.569200000            1.0000000        
S   1
  1      5.0269400000           1.0000000        
S   1
  1      1.9974600000           1.0000000        
S   1
  1      0.84799900000          1.0000000        
S   1
  1      0.37325700000          1.0000000        
P   1
  1     14.241400000            1.0000000        
P   1
  1      4.7851000000           1.0000000        
P   1
  1      3.2881400000           1.0000000        
P   1
  1      1.8993300000           1.0000000        
P   1
  1      0.77221800000          1.0000000        
D   1
  1     11.057200000            1.0000000        
D   1
  1      5.7622300000           1.0000000        
D   1
  1      3.5200600000           1.0000000        
D   1
  1      1.3400900000           1.0000000        
F   1
  1      8.2914600000           1.0000000        
F   1
  1      5.4501100000           1.0000000        
F   1
  1      2.2671400000           1.0000000        
G   1
  1      8.2203100000           1.0000000        
G   1
  1      4.1598200000           1.0000000        
H   1
  1      5.8480000000           1.0000000


name: cc-pV5Z-RI
description: N/A
elt: Li
data:
LITHIUM
S   1
  1    115.55300000             1.0000000        
S   1
  1     24.228600000            1.0000000        
S   1
  1      7.7953700000           1.0000000        
S   1
  1      2.8913600000           1.0000000        
S   1
  1      1.4239400000           1.0000000        
S   1
  1      0.70591700000          1.0000000        
S   1
  1      0.38012300000          1.0000000        
S   1
  1      0.24690100000          1.0000000        
S   1
  1      0.12353200000          1.0000000        
S   1
  1      0.64288100000E-01            1.0000000        
P   1
  1     20.093900000            1.0000000        
P   1
  1      6.0814900000           1.0000000        
P   1
  1      2.3472600000           1.0000000        
P   1
  1      1.0299500000           1.0000000        
P   1
  1      0.52019000000          1.0000000        
P   1
  1      0.22327600000          1.0000000        
P   1
  1      0.12126100000          1.0000000        
P   1
  1      0.72777500000E-01            1.0000000        
D   1
  1      6.9635800000           1.0000000        
D   1
  1      2.6815300000           1.0000000        
D   1
  1      1.3516300000           1.0000000        
D   1
  1      0.77189300000          1.0000000        
D   1
  1      0.33964400000          1.0000000        
D   1
  1      0.17345200000          1.0000000        
D   1
  1      0.10107800000          1.0000000        
F   1
  1      3.2294900000           1.0000000        
F   1
  1      1.3492900000           1.0000000        
F   1
  1      0.76464000000          1.0000000        
F   1
  1      0.41551900000          1.0000000        
F   1
  1      0.25928000000          1.0000000        
F   1
  1      0.15601300000          1.0000000        
G   1
  1      1.8196400000           1.0000000        
G   1
  1      0.85651700000          1.0000000        
G   1
  1      0.43491000000          1.0000000        
G   1
  1      0.19618800000          1.0000000        
H   1
  1      1.1852800000           1.0000000        
H   1
  1      0.59867200000          1.0000000        
H   1
  1      0.42711900000          1.0000000        
I   1
  1      0.59867200000          1.0000000


name: cc-pV5Z-RI
description: N/A
elt: Be
data:
BERYLLIUM
S   1
  1    155.47600000             1.0000000        
S   1
  1     33.616500000            1.0000000        
S   1
  1      9.8657500000           1.0000000        
S   1
  1      5.1872300000           1.0000000        
S   1
  1      2.0482500000           1.0000000        
S   1
  1      0.94182400000          1.0000000        
S   1
  1      0.49437300000          1.0000000        
S   1
  1      0.30452100000          1.0000000        
S   1
  1      0.16818800000          1.0000000        
S   1
  1      0.90836400000E-01            1.0000000        
P   1
  1     29.226300000            1.0000000        
P   1
  1      8.1908700000           1.0000000        
P   1
  1      3.2447000000           1.0000000        
P   1
  1      1.2746400000           1.0000000        
P   1
  1      0.59488500000          1.0000000        
P   1
  1      0.28937200000          1.0000000        
P   1
  1      0.14848700000          1.0000000        
P   1
  1      0.78546500000E-01            1.0000000        
D   1
  1      9.7761000000           1.0000000        
D   1
  1      3.8180200000           1.0000000        
D   1
  1      1.7338300000           1.0000000        
D   1
  1      0.89738600000          1.0000000        
D   1
  1      0.45392700000          1.0000000        
D   1
  1      0.23838900000          1.0000000        
D   1
  1      0.13695500000          1.0000000        
F   1
  1      4.0910400000           1.0000000        
F   1
  1      1.7613900000           1.0000000        
F   1
  1      0.87499200000          1.0000000        
F   1
  1      0.49708200000          1.0000000        
F   1
  1      0.33084200000          1.0000000        
F   1
  1      0.20529400000          1.0000000        
G   1
  1      2.3561400000           1.0000000        
G   1
  1      0.72703900000          1.0000000        
G   1
  1      0.51533000000          1.0000000        
G   1
  1      0.38035100000          1.0000000        
H   1
  1      1.5046200000           1.0000000        
H   1
  1      0.67221100000          1.0000000        
H   1
  1      0.51170800000          1.0000000        
I   1
  1      0.67221100000          1.0000000


name: cc-pV5Z-RI
description: N/A
elt: B
data:
BORON
S   1
  1    142.71500000             1.0000000        
S   1
  1     34.757300000            1.0000000        
S   1
  1      9.0633200000           1.0000000        
S   1
  1      4.1249400000           1.0000000        
S   1
  1      2.1032800000           1.0000000        
S   1
  1      1.0433100000           1.0000000        
S   1
  1      0.59186700000          1.0000000        
S   1
  1      0.38749500000          1.0000000        
S   1
  1      0.19357900000          1.0000000        
S   1
  1      0.10011500000          1.0000000        
P   1
  1     36.802300000            1.0000000        
P   1
  1      9.8925600000           1.0000000        
P   1
  1      3.5489200000           1.0000000        
P   1
  1      1.6771100000           1.0000000        
P   1
  1      0.92642000000          1.0000000        
P   1
  1      0.44547300000          1.0000000        
P   1
  1      0.24868100000          1.0000000        
P   1
  1      0.14019500000          1.0000000        
D   1
  1     10.808500000            1.0000000        
D   1
  1      4.5546100000           1.0000000        
D   1
  1      2.2028700000           1.0000000        
D   1
  1      1.0566500000           1.0000000        
D   1
  1      0.49516400000          1.0000000        
D   1
  1      0.26464900000          1.0000000        
D   1
  1      0.16507300000          1.0000000        
F   1
  1      4.9089700000           1.0000000        
F   1
  1      2.4835600000           1.0000000        
F   1
  1      1.4211700000           1.0000000        
F   1
  1      0.72430000000          1.0000000        
F   1
  1      0.39886000000          1.0000000        
F   1
  1      0.24239700000          1.0000000        
G   1
  1      3.5601700000           1.0000000        
G   1
  1      1.3641900000           1.0000000        
G   1
  1      0.66230700000          1.0000000        
G   1
  1      0.39377000000          1.0000000        
H   1
  1      1.8523700000           1.0000000        
H   1
  1      0.99433300000          1.0000000        
H   1
  1      0.62590000000          1.0000000        
I   1
  1      1.1301800000           1.0000000


name: cc-pV5Z-RI
description: N/A
elt: C
data:
CARBON
S   1
  1    247.06400000             1.0000000        
S   1
  1     53.400400000            1.0000000        
S   1
  1     13.932000000            1.0000000        
S   1
  1      6.1517900000           1.0000000        
S   1
  1      2.8382700000           1.0000000        
S   1
  1      1.6979800000           1.0000000        
S   1
  1      0.94476300000          1.0000000        
S   1
  1      0.55580600000          1.0000000        
S   1
  1      0.25743300000          1.0000000        
S   1
  1      0.11849800000          1.0000000        
P   1
  1     51.517500000            1.0000000        
P   1
  1     14.097200000            1.0000000        
P   1
  1      5.0531900000           1.0000000        
P   1
  1      2.5407900000           1.0000000        
P   1
  1      1.4205900000           1.0000000        
P   1
  1      0.70514500000          1.0000000        
P   1
  1      0.35361200000          1.0000000        
P   1
  1      0.22379300000          1.0000000        
D   1
  1     12.844800000            1.0000000        
D   1
  1      4.9999100000           1.0000000        
D   1
  1      3.0001500000           1.0000000        
D   1
  1      1.6399800000           1.0000000        
D   1
  1      0.75996400000          1.0000000        
D   1
  1      0.41301300000          1.0000000        
D   1
  1      0.21174900000          1.0000000        
F   1
  1      7.5597500000           1.0000000        
F   1
  1      3.1165400000           1.0000000        
F   1
  1      2.0543600000           1.0000000        
F   1
  1      1.1141800000           1.0000000        
F   1
  1      0.60318400000          1.0000000        
F   1
  1      0.33462700000          1.0000000        
G   1
  1      4.2441000000           1.0000000        
G   1
  1      2.1559900000           1.0000000        
G   1
  1      1.0231500000           1.0000000        
G   1
  1      0.59323500000          1.0000000        
H   1
  1      2.7021900000           1.0000000        
H   1
  1      1.5080800000           1.0000000        
H   1
  1      0.86012500000          1.0000000        
I   1
  1      1.7025800000           1.0000000


name: cc-pV5Z-RI
description: N/A
elt: N
data:
NITROGEN
S   1
  1    330.81400000             1.0000000        
S   1
  1     72.692500000            1.0000000        
S   1
  1     18.515300000            1.0000000        
S   1
  1      8.5691000000           1.0000000        
S   1
  1      3.8096600000           1.0000000        
S   1
  1      2.2483400000           1.0000000        
S   1
  1      1.3124100000           1.0000000        
S   1
  1      0.75863700000          1.0000000        
S   1
  1      0.37887900000          1.0000000        
S   1
  1      0.17588800000          1.0000000        
P   1
  1     66.987000000            1.0000000        
P   1
  1     18.749800000            1.0000000        
P   1
  1      7.4806400000           1.0000000        
P   1
  1      3.7612400000           1.0000000        
P   1
  1      2.0756100000           1.0000000        
P   1
  1      0.99065200000          1.0000000        
P   1
  1      0.51942900000          1.0000000        
P   1
  1      0.31199100000          1.0000000        
D   1
  1     17.120900000            1.0000000        
D   1
  1      5.8105200000           1.0000000        
D   1
  1      3.5506300000           1.0000000        
D   1
  1      2.2621800000           1.0000000        
D   1
  1      1.1053700000           1.0000000        
D   1
  1      0.56858000000          1.0000000        
D   1
  1      0.28193800000          1.0000000        
F   1
  1     10.195600000            1.0000000        
F   1
  1      4.6114900000           1.0000000        
F   1
  1      2.8184600000           1.0000000        
F   1
  1      1.5443300000           1.0000000        
F   1
  1      0.89507500000          1.0000000        
F   1
  1      0.47044000000          1.0000000        
G   1
  1      5.4789200000           1.0000000        
G   1
  1      3.0534700000           1.0000000        
G   1
  1      1.4827700000           1.0000000        
G   1
  1      0.84487500000          1.0000000        
H   1
  1      3.9045700000           1.0000000        
H   1
  1      2.2940200000           1.0000000        
H   1
  1      1.3193000000           1.0000000        
I   1
  1      2.4870900000           1.0000000


name: cc-pV5Z-RI
description: N/A
elt: O
data:
OXYGEN
S   1
  1    488.56100000             1.0000000        
S   1
  1    105.27900000             1.0000000        
S   1
  1     28.708200000            1.0000000        
S   1
  1     14.825500000            1.0000000        
S   1
  1      5.8315400000           1.0000000        
S   1
  1      3.5953700000           1.0000000        
S   1
  1      1.9400300000           1.0000000        
S   1
  1      1.0585900000           1.0000000        
S   1
  1      0.47491100000          1.0000000        
S   1
  1      0.25100500000          1.0000000        
P   1
  1     94.256600000            1.0000000        
P   1
  1     25.465100000            1.0000000        
P   1
  1     11.049300000            1.0000000        
P   1
  1      4.7087600000           1.0000000        
P   1
  1      2.7568800000           1.0000000        
P   1
  1      1.2742800000           1.0000000        
P   1
  1      0.69664100000          1.0000000        
P   1
  1      0.41651900000          1.0000000        
D   1
  1     21.988200000            1.0000000        
D   1
  1      7.2744200000           1.0000000        
D   1
  1      4.5187800000           1.0000000        
D   1
  1      2.7194100000           1.0000000        
D   1
  1      1.4421300000           1.0000000        
D   1
  1      0.71902400000          1.0000000        
D   1
  1      0.30306300000          1.0000000        
F   1
  1     14.098700000            1.0000000        
F   1
  1      6.4429100000           1.0000000        
F   1
  1      3.7210400000           1.0000000        
F   1
  1      2.0937400000           1.0000000        
F   1
  1      1.1853100000           1.0000000        
F   1
  1      0.62101300000          1.0000000        
G   1
  1      7.0140700000           1.0000000        
G   1
  1      3.8831400000           1.0000000        
G   1
  1      2.0382500000           1.0000000        
G   1
  1      1.0078100000           1.0000000        
H   1
  1      5.4275500000           1.0000000        
H   1
  1      3.2231200000           1.0000000        
H   1
  1      1.7240100000           1.0000000        
I   1
  1      3.2612300000           1.0000000


name: cc-pV5Z-RI
description: N/A
elt: F
data:
FLUORINE
S   1
  1    645.42400000             1.0000000        
S   1
  1    138.61800000             1.0000000        
S   1
  1     38.729500000            1.0000000        
S   1
  1     21.723600000            1.0000000        
S   1
  1      7.4803500000           1.0000000        
S   1
  1      4.2844000000           1.0000000        
S   1
  1      2.6019900000           1.0000000        
S   1
  1      1.3407800000           1.0000000        
S   1
  1      0.60387500000          1.0000000        
S   1
  1      0.29991500000          1.0000000        
P   1
  1    118.06600000             1.0000000        
P   1
  1     32.033700000            1.0000000        
P   1
  1     13.592500000            1.0000000        
P   1
  1      6.2899100000           1.0000000        
P   1
  1      3.4907900000           1.0000000        
P   1
  1      1.6393200000           1.0000000        
P   1
  1      0.88001700000          1.0000000        
P   1
  1      0.53300300000          1.0000000        
D   1
  1     27.767600000            1.0000000        
D   1
  1      8.8807600000           1.0000000        
D   1
  1      5.4950200000           1.0000000        
D   1
  1      2.9711200000           1.0000000        
D   1
  1      1.8197200000           1.0000000        
D   1
  1      0.89052800000          1.0000000        
D   1
  1      0.36758000000          1.0000000        
F   1
  1     18.500300000            1.0000000        
F   1
  1      8.6086100000           1.0000000        
F   1
  1      4.9438800000           1.0000000        
F   1
  1      2.8144900000           1.0000000        
F   1
  1      1.5815200000           1.0000000        
F   1
  1      0.80946500000          1.0000000        
G   1
  1      9.1637000000           1.0000000        
G   1
  1      4.9366900000           1.0000000        
G   1
  1      2.7148700000           1.0000000        
G   1
  1      1.3191900000           1.0000000        
H   1
  1      7.1046500000           1.0000000        
H   1
  1      4.1728700000           1.0000000        
H   1
  1      2.2001000000           1.0000000        
I   1
  1      4.2237200000           1.0000000


name: cc-pV5Z-RI
description: N/A
elt: Ne
data:
NEON
S   1
  1    812.72000000             1.0000000        
S   1
  1    174.70000000             1.0000000        
S   1
  1     44.592600000            1.0000000        
S   1
  1     26.694500000            1.0000000        
S   1
  1      9.3861800000           1.0000000        
S   1
  1      5.4190700000           1.0000000        
S   1
  1      3.4055800000           1.0000000        
S   1
  1      1.5567000000           1.0000000        
S   1
  1      0.77145400000          1.0000000        
S   1
  1      0.37007800000          1.0000000        
P   1
  1    148.32300000             1.0000000        
P   1
  1     40.018100000            1.0000000        
P   1
  1     18.457600000            1.0000000        
P   1
  1      8.0503200000           1.0000000        
P   1
  1      4.3810800000           1.0000000        
P   1
  1      2.0758900000           1.0000000        
P   1
  1      1.1022300000           1.0000000        
P   1
  1      0.66896000000          1.0000000        
D   1
  1     34.484200000            1.0000000        
D   1
  1     10.919700000            1.0000000        
D   1
  1      6.8800300000           1.0000000        
D   1
  1      3.5330600000           1.0000000        
D   1
  1      2.1977100000           1.0000000        
D   1
  1      1.1035200000           1.0000000        
D   1
  1      0.44922000000          1.0000000        
F   1
  1     24.052600000            1.0000000        
F   1
  1     11.324600000            1.0000000        
F   1
  1      6.3566700000           1.0000000        
F   1
  1      3.7291600000           1.0000000        
F   1
  1      2.0283100000           1.0000000        
F   1
  1      1.0248800000           1.0000000        
G   1
  1     11.760300000            1.0000000        
G   1
  1      6.1875200000           1.0000000        
G   1
  1      3.4834900000           1.0000000        
G   1
  1      1.7192800000           1.0000000        
H   1
  1      8.9986300000           1.0000000        
H   1
  1      5.2308400000           1.0000000        
H   1
  1      2.7349700000           1.0000000        
I   1
  1      5.3352800000           1.0000000


name: cc-pV5Z-RI
description: N/A
elt: Na
data:
SODIUM
S   1
  1    419.61600000             1.0000000        
S   1
  1     76.184400000            1.0000000        
S   1
  1     36.109400000            1.0000000        
S   1
  1     10.679900000            1.0000000        
S   1
  1      5.6206300000           1.0000000        
S   1
  1      1.9255600000           1.0000000        
S   1
  1      0.85264600000          1.0000000        
S   1
  1      0.38755200000          1.0000000        
S   1
  1      0.22126400000          1.0000000        
S   1
  1      0.13965700000          1.0000000        
S   1
  1      0.84509100000E-01            1.0000000        
S   1
  1      0.49375700000E-01            1.0000000        
P   1
  1     90.027500000            1.0000000        
P   1
  1     22.833000000            1.0000000        
P   1
  1      8.4955200000           1.0000000        
P   1
  1      3.9969600000           1.0000000        
P   1
  1      1.8546400000           1.0000000        
P   1
  1      0.83357200000          1.0000000        
P   1
  1      0.40415500000          1.0000000        
P   1
  1      0.22076300000          1.0000000        
P   1
  1      0.14009500000          1.0000000        
P   1
  1      0.94966500000E-01            1.0000000        
P   1
  1      0.55504600000E-01            1.0000000        
D   1
  1     24.684200000            1.0000000        
D   1
  1      7.3086500000           1.0000000        
D   1
  1      2.1614000000           1.0000000        
D   1
  1      1.0159800000           1.0000000        
D   1
  1      0.46034200000          1.0000000        
D   1
  1      0.26418200000          1.0000000        
D   1
  1      0.16326200000          1.0000000        
D   1
  1      0.11228100000          1.0000000        
D   1
  1      0.71735900000E-01            1.0000000        
F   1
  1      5.4986000000           1.0000000        
F   1
  1      1.8972900000           1.0000000        
F   1
  1      0.90600200000          1.0000000        
F   1
  1      0.44890800000          1.0000000        
F   1
  1      0.27933100000          1.0000000        
F   1
  1      0.16980700000          1.0000000        
F   1
  1      0.10011000000          1.0000000        
G   1
  1      1.9727600000           1.0000000        
G   1
  1      0.83127400000          1.0000000        
G   1
  1      0.44430600000          1.0000000        
G   1
  1      0.24340100000          1.0000000        
G   1
  1      0.12135300000          1.0000000        
H   1
  1      1.1966100000           1.0000000        
H   1
  1      0.51554200000          1.0000000        
H   1
  1      0.19559700000          1.0000000        
I   1
  1      0.53369400000          1.0000000


name: cc-pV5Z-RI
description: N/A
elt: Mg
data:
MAGNESIUM
S   1
  1    540.41600000             1.0000000        
S   1
  1    102.12700000             1.0000000        
S   1
  1     43.111400000            1.0000000        
S   1
  1     13.476700000            1.0000000        
S   1
  1      7.3755600000           1.0000000        
S   1
  1      2.6068000000           1.0000000        
S   1
  1      1.2989700000           1.0000000        
S   1
  1      0.58407500000          1.0000000        
S   1
  1      0.33010800000          1.0000000        
S   1
  1      0.18050500000          1.0000000        
S   1
  1      0.11914800000          1.0000000        
S   1
  1      0.69144700000E-01            1.0000000        
P   1
  1    123.47900000             1.0000000        
P   1
  1     33.483200000            1.0000000        
P   1
  1     12.336600000            1.0000000        
P   1
  1      5.6133800000           1.0000000        
P   1
  1      2.4239500000           1.0000000        
P   1
  1      1.1578900000           1.0000000        
P   1
  1      0.53181500000          1.0000000        
P   1
  1      0.29340800000          1.0000000        
P   1
  1      0.19413500000          1.0000000        
P   1
  1      0.13015600000          1.0000000        
P   1
  1      0.84592500000E-01            1.0000000        
D   1
  1     28.354200000            1.0000000        
D   1
  1      8.2488000000           1.0000000        
D   1
  1      2.9561500000           1.0000000        
D   1
  1      1.2873000000           1.0000000        
D   1
  1      0.58346000000          1.0000000        
D   1
  1      0.34441900000          1.0000000        
D   1
  1      0.22243000000          1.0000000        
D   1
  1      0.15192900000          1.0000000        
D   1
  1      0.91250000000E-01            1.0000000        
F   1
  1      6.9506700000           1.0000000        
F   1
  1      2.7621400000           1.0000000        
F   1
  1      1.2507200000           1.0000000        
F   1
  1      0.57599700000          1.0000000        
F   1
  1      0.33425700000          1.0000000        
F   1
  1      0.21635500000          1.0000000        
F   1
  1      0.12609000000          1.0000000        
G   1
  1      2.5501000000           1.0000000        
G   1
  1      1.0726000000           1.0000000        
G   1
  1      0.55258100000          1.0000000        
G   1
  1      0.30805000000          1.0000000        
G   1
  1      0.14658100000          1.0000000        
H   1
  1      1.5125800000           1.0000000        
H   1
  1      0.45792000000          1.0000000        
H   1
  1      0.29253700000          1.0000000        
I   1
  1      1.0745700000           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:
PHOSPHORUS
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


