# all_value

name: dhf-SVP
description: N/A
elt: Mo
data:
MOLYBDENUM
S   3
  1      7.2033800000          -0.89843125345    
  2      5.0522950000           1.6415809084     
  3      2.9135330000           0.28567795903    
S   1
  1      0.97858218681          1.0000000        
S   1
  1      0.44369153753          1.0000000        
S   1
  1      0.92150090705E-01            1.0000000        
S   1
  1      0.34802246935E-01            1.0000000        
P   4
  1      3.1518660000          -0.72004665715    
  2      2.4534820000           0.78126481579    
  3      0.85030192180          0.66002624179    
  4      0.36918237179          0.29570451343    
P   1
  1      0.13490627460          1.0000000        
P   1
  1      0.38200000000E-01            1.0000000        
D   4
  1      5.0044445497          -0.11788678269E-01      
  2      1.7736823324           0.22668649939    
  3      0.76950591696          0.45266448385    
  4      0.31530878939          0.43568268946    
D   1
  1      0.11754374390          1.0000000        
F   1
  1      0.6554500              1.0000000        


name: dhf-SVP
description: N/A
elt: Tc
data:
TECHNETIUM
S   3
  1      7.4344020000          -1.1769667623     
  2      5.5513270000           1.9544313011     
  3      3.0230860000           0.24834058288    
S   1
  1      1.0647443990           1.0000000        
S   1
  1      0.48127808497          1.0000000        
S   1
  1      0.98299016952E-01            1.0000000        
S   1
  1      0.36659977936E-01            1.0000000        
P   4
  1      3.4490050000          -0.74014635775    
  2      2.6927370000           0.79342488814    
  3      0.94427370692          0.67555648424    
  4      0.41348148619          0.30711437300    
P   1
  1      0.15488152305          1.0000000        
P   1
  1      0.40300000000E-01            1.0000000        
D   4
  1      5.0906268699          -0.16285254273E-01      
  2      2.0156178510           0.24058888970    
  3      0.88113887240          0.48310048368    
  4      0.36427094833          0.45423724162    
D   1
  1      0.13678402297          1.0000000        
F   1
  1      0.7908500              1.0000000        


name: dhf-SVP
description: N/A
elt: Ru
data:
RUTHENIUM
S   3
  1      7.9365700000          -1.1652291376     
  2      5.9842450000           1.6199295146     
  3      4.8822200000           0.51188181543    
S   1
  1      1.1031002163           1.0000000        
S   1
  1      0.49818875261          1.0000000        
S   1
  1      0.10678711393          1.0000000        
S   1
  1      0.39191775872E-01            1.0000000        
P   4
  1      3.7546090000          -0.70170499002    
  2      2.9165710000           0.75008068437    
  3      1.0322209568           0.65394402284    
  4      0.45249553774          0.29099858090    
P   1
  1      0.16987042198          1.0000000        
P   1
  1      0.43000000000E-01            1.0000000        
D   4
  1      5.7341846619          -0.20464392199E-01      
  2      2.2483686294           0.22792462252    
  3      0.98376978359          0.44412079399    
  4      0.40379445583          0.41508966641    
D   1
  1      0.14978618173          1.0000000        
F   1
  1      0.9431400              1.0000000        


name: dhf-SVP
description: N/A
elt: Rh
data:
RHODIUM
S   3
  1      7.9177440000           1.3993513195     
  2      6.8412070000          -1.8055713469     
  3      2.9598400000          -0.17684944611    
S   1
  1      1.3166643441           1.0000000        
S   1
  1      0.56907152172          1.0000000        
S   1
  1      0.10059695193          1.0000000        
S   1
  1      0.37071460798E-01            1.0000000        
P   5
  1     31.693373714            0.38683212650E-02      
  2      4.1360790000          -0.55519279746    
  3      2.9462810000           0.62895224379    
  4      1.0792431924           0.61994437522    
  5      0.46611217769          0.27461884688    
P   1
  1      0.17453169991          1.0000000        
P   1
  1      0.41000000000E-01            1.0000000        
D   4
  1      6.8847131641          -0.13492483750E-01      
  2      2.3837304391           0.23401513251    
  3      1.0184384022           0.44974232864    
  4      0.39957494644          0.40663630923    
D   1
  1      0.13951120264          1.0000000        
F   1
  1      1.0949900              1.0000000        


name: dhf-SVP
description: N/A
elt: Pd
data:
PALLADIUM
S   3
  1      8.4756400000           1.2391988021     
  2      7.1657170000          -1.6636497150     
  3      3.1821100000          -0.14760016686    
S   1
  1      1.3973644196           1.0000000        
S   1
  1      0.60532955868          1.0000000        
S   1
  1      0.10229514209          1.0000000        
S   1
  1      0.37338972881E-01            1.0000000        
P   5
  1     32.067467498           -0.53026972084E-03      
  2      4.2460970000           0.10002198927    
  3      3.3925940000          -0.10689050667    
  4      1.1975891264          -0.73298034402E-01      
  5      0.52673750585         -0.34410352477E-01      
P   1
  1      0.20607094098          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1      7.3613290985          -0.18674694955E-01      
  2      2.6291037258           0.23418336504    
  3      1.1292744634           0.44283341091    
  4      0.44471659896          0.39474693505    
D   1
  1      0.15544893836          1.0000000        
F   1
  1      1.2462900              1.0000000        


name: dhf-SVP
description: N/A
elt: Ag
data:
SILVER
S   3
  1      9.0884420000          -1.9910273664     
  2      7.5407310000           2.7449391414     
  3      2.7940050000           0.24503583165    
S   1
  1      1.4918135849           1.0000000        
S   1
  1      0.63579159445          1.0000000        
S   1
  1      0.10368414161          1.0000000        
S   1
  1      0.37460004363E-01            1.0000000        
P   5
  1     24.887517671            0.93265998292E-02      
  2      4.4512400000          -1.1025483417     
  3      3.6752630000           1.1568363597     
  4      1.2610620905           0.63288912465    
  5      0.54212477498          0.26447298925    
P   1
  1      0.20221617026          1.0000000        
P   1
  1      0.41200000000E-01            1.0000000        
D   4
  1      7.7956672292          -0.17211873006E-01      
  2      2.8926510238           0.23291583990    
  3      1.2474273203           0.44943131649    
  4      0.49313817671          0.39263959721    
D   1
  1      0.17285032603          1.0000000        
F   1
  1      1.3971100              1.0000000        


name: dhf-SVP
description: N/A
elt: Cd
data:
CADMIUM
S   3
  1      9.7270110000          -1.8003664915     
  2      7.8375230000           2.6004301816     
  3      5.0891940000           0.10747844573    
S   1
  1      1.4981738327           1.0000000        
S   1
  1      0.67281383129          1.0000000        
S   1
  1      0.13297424875          1.0000000        
S   1
  1      0.46915090488E-01            1.0000000        
P   5
  1     30.769407891            0.67484659420E-02      
  2      4.7427160000          -1.1041105528     
  3      3.9366550000           1.1673076414     
  4      1.3569243142           0.63566941621    
  5      0.58791569541          0.25899168600    
P   1
  1      0.21371239619          1.0000000        
P   1
  1      0.51600000000E-01            1.0000000        
D   4
  1      7.8631040859          -0.17540921437E-01      
  2      3.2935059133           0.23019208691    
  3      1.4503676025           0.45533006119    
  4      0.59373316766          0.39751966046    
D   1
  1      0.21760141520          1.0000000        
F   1
  1      1.5981300              1.0000000        


name: dhf-SVP
description: N/A
elt: Hf
data:
HAFNIUM
S   2
  1     14.592485000           -0.81075507525    
  2     11.547491000            1.5279921622     
S   1
  1      4.9112973928           1.0000000        
S   1
  1      0.79665469409          1.0000000        
S   1
  1      0.34234072894          1.0000000        
S   1
  1      0.98109197714E-01            1.0000000        
S   1
  1      0.36190984443E-01            1.0000000        
P   4
  1      6.7265310000           0.65888665837    
  2      5.9599790000          -0.83923618982    
  3      1.0921117054           0.49295128987    
  4      0.49702823217          0.47408132351    
P   1
  1      0.20258973792          1.0000000        
P   1
  1      0.33600000000E-01            1.0000000        
D   4
  1      3.9820623229          -0.49196371087E-01      
  2      1.3077987772           0.16946361535    
  3      0.53272310298          0.44109743457    
  4      0.20564954488          0.44568485219    
D   1
  1      0.73099858787E-01            1.0000000        
F   1
  1      0.3154700              1.0000000        


name: dhf-SVP
description: N/A
elt: Ta
data:
TANTALUM
S   2
  1     14.400000000            1.0049738144     
  2     12.000000000           -1.6673943424     
S   1
  1      5.0701477302           1.0000000        
S   1
  1      0.86033356487          1.0000000        
S   1
  1      0.37158938894          1.0000000        
S   1
  1      0.10745336254          1.0000000        
S   1
  1      0.39142776556E-01            1.0000000        
P   4
  1      7.4188720000           0.27613254276    
  2      5.6984100000          -0.47407220003    
  3      1.1777211960           0.51415843489    
  4      0.54478533555          0.49382358420    
P   1
  1      0.22309270117          1.0000000        
P   1
  1      0.43100000000E-01            1.0000000        
D   4
  1      3.9738796278          -0.60701969256E-01      
  2      1.4528884813           0.17246221745    
  3      0.61042908544          0.44454767059    
  4      0.24216276510          0.42600958762    
D   1
  1      0.87909318337E-01            1.0000000        
F   1
  1      0.3738600              1.0000000        


name: dhf-SVP
description: N/A
elt: W
data:
TUNGSTEN
S   2
  1     15.000000000           -0.53984569304    
  2     12.000000000            1.0228484726     
S   1
  1      5.2610967725           1.0000000        
S   1
  1      0.92785370307          1.0000000        
S   1
  1      0.40334458241          1.0000000        
S   1
  1      0.11585976646          1.0000000        
S   1
  1      0.41800474073E-01            1.0000000        
P   4
  1      7.2496570000           0.46749049338    
  2      6.0848760000          -0.67718942302    
  3      1.2523777812           0.53559619861    
  4      0.58569208922          0.49083198365    
P   1
  1      0.24106964301          1.0000000        
P   1
  1      0.40300000000E-01            1.0000000        
D   4
  1      4.0131231332          -0.75812459167E-01      
  2      1.6237452450           0.18285853830    
  3      0.69187452392          0.43636672039    
  4      0.27865835325          0.41961297074    
D   1
  1      0.10225296446          1.0000000        
F   1
  1      0.4319900              1.0000000        


name: dhf-SVP
description: N/A
elt: Re
data:
RHENIUM
S   2
  1     14.781862000           -1.1367378377     
  2     12.324075000            1.9706536476     
S   1
  1      5.5098597284           1.0000000        
S   1
  1      0.98874104687          1.0000000        
S   1
  1      0.42833312030          1.0000000        
S   1
  1      0.12296804533          1.0000000        
S   1
  1      0.43949851581E-01            1.0000000        
P   4
  1      7.4040050000           0.54266481445    
  2      6.3502060000          -0.76471051245    
  3      1.3311713455           0.57320366757    
  4      0.62659600547          0.52958779679    
P   1
  1      0.25922718696          1.0000000        
P   1
  1      0.48300000000E-01            1.0000000        
D   4
  1      4.0616274916          -0.81306396168E-01      
  2      1.8487943286           0.17986853333    
  3      0.78702048429          0.45392751074    
  4      0.32069843172          0.42817972057    
D   1
  1      0.11892742980          1.0000000        
F   1
  1      0.4898900              1.0000000        


name: dhf-SVP
description: N/A
elt: Os
data:
OSMIUM
S   2
  1     15.286736000           -1.0524834032     
  2     12.700638000            1.8651441976     
S   1
  1      5.7094832504           1.0000000        
S   1
  1      1.0689228744           1.0000000        
S   1
  1      0.46783543749          1.0000000        
S   1
  1      0.13253456992          1.0000000        
S   1
  1      0.47101982911E-01            1.0000000        
P   4
  1      7.9362790000           0.33746828948    
  2      6.3036410000          -0.57391069312    
  3      1.4351579676           0.58085328435    
  4      0.68442749722          0.55568062024    
P   1
  1      0.28347394974          1.0000000        
P   1
  1      0.58100000000E-01            1.0000000        
D   4
  1      3.5808150000          -0.43130733358    
  2      3.1961650000           0.44637176923    
  3      1.0550226354           0.44355008913    
  4      0.41588406618          0.48765921430    
D   1
  1      0.14653507868          1.0000000        
F   1
  1      0.5506500              1.0000000        


name: dhf-SVP
description: N/A
elt: Ir
data:
IRIDIUM
S   2
  1     15.293709000           -1.6829654088     
  2     13.573682000            2.4497235955     
S   1
  1      5.8213436542           1.0000000        
S   1
  1      1.1520364268           1.0000000        
S   1
  1      0.51104895338          1.0000000        
S   1
  1      0.14084043578          1.0000000        
S   1
  1      0.49828673085E-01            1.0000000        
P   4
  1      8.6697960000           0.20390418530    
  2      6.2456140000          -0.44156298355    
  3      1.5657036153           0.53950661460    
  4      0.75577412863          0.55950087692    
P   1
  1      0.31306011113          1.0000000        
P   1
  1      0.54800000000E-01            1.0000000        
D   4
  1      3.6994850000          -0.55813991411    
  2      3.3617430000           0.58120513711    
  3      1.1177053710           0.46169592602    
  4      0.44322534858          0.48836007029    
D   1
  1      0.15641305125          1.0000000        
F   1
  1      0.6100800              1.0000000        


name: dhf-SVP
description: N/A
elt: Pt
data:
PLATINUM
S   2
  1     16.559563000           -0.53717159014    
  2     13.892440000            0.93371385086    
S   1
  1      5.8531044732           1.0000000        
S   1
  1      1.2498640609           1.0000000        
S   1
  1      0.55606439459          1.0000000        
S   1
  1      0.13793093812          1.0000000        
S   1
  1      0.48989034059E-01            1.0000000        
P   4
  1      8.1000000000           0.73091208331    
  2      7.2000000000          -0.96742296133    
  3      1.5588402917           0.62359946959    
  4      0.73230402180          0.52804952306    
P   1
  1      0.30270484669          1.0000000        
P   1
  1      0.50000000000E-01            1.0000000        
D   4
  1      4.6299536825          -0.86414285449E-01      
  2      2.1980241252           0.21612464727    
  3      0.93629991261          0.47965582705    
  4      0.37160028160          0.42355410825    
D   1
  1      0.13155928617          1.0000000        
F   1
  1      0.6681300              1.0000000        


name: dhf-SVP
description: N/A
elt: Au
data:
GOLD
S   2
  1     20.115299000           -0.15652921391    
  2     12.193477000            0.80716274144    
S   1
  1      6.0735294368           1.0000000        
S   1
  1      1.3174451569           1.0000000        
S   1
  1      0.58596768244          1.0000000        
S   1
  1      0.13875427354          1.0000000        
S   1
  1      0.48876985527E-01            1.0000000        
P   4
  1      8.6096650000           0.49808830589    
  2      7.3353260000          -0.72996650609    
  3      1.6575296365           0.59808090701    
  4      0.78159310216          0.51397097257    
P   1
  1      0.32384840661          1.0000000        
P   1
  1      0.54000000000E-01            1.0000000        
D   4
  1      4.1439490000          -0.37120184295    
  2      3.5682570000           0.40553474089    
  3      1.2345757130           0.45799488309    
  4      0.48190232338          0.46265036804    
D   1
  1      0.16490636769          1.0000000        
F   1
  1      0.7248200              1.0000000        


name: dhf-SVP
description: N/A
elt: Hg
data:
MERCURY
S   2
  1     26.842049000           -0.29147305711E-01      
  2     10.320909000            0.74311562322    
S   1
  1      6.3656242291           1.0000000        
S   1
  1      1.3898932095           1.0000000        
S   1
  1      0.63706742699          1.0000000        
S   1
  1      0.16047725098          1.0000000        
S   1
  1      0.56410423453E-01            1.0000000        
P   4
  1      9.7729900000           0.21172863730    
  2      7.1690950000          -0.44028573010    
  3      1.7559567931           0.58591057518    
  4      0.83145670425          0.49629590682    
P   1
  1      0.34494917659          1.0000000        
P   1
  1      0.70000000000E-01            1.0000000        
D   4
  1      4.2800000000          -0.31821957949    
  2      3.4800000000           0.37918316566    
  3      1.2535869926           0.48451355210    
  4      0.50841366863          0.43984257519    
D   1
  1      0.18501599388          1.0000000        
F   1
  1      0.7956900              1.0000000        


name: dhf-TZVP
description: N/A
elt: Rb
data:
RUBIDIUM
S   2
  1      7.4744618040           0.26971657922    
  2      6.7296180594          -0.42652758235    
S   1
  1      2.7816640004           1.0000000        
S   1
  1      0.53452175148          1.0000000        
S   1
  1      0.22368793034          1.0000000        
S   1
  1      0.32410407052E-01            1.0000000        
S   1
  1      0.14171047424E-01            1.0000000        
P   3
  1      5.6720643194           0.44159389068E-01      
  2      3.3320183956          -0.17917552036    
  3      0.80150054910          0.43630668278    
P   1
  1      0.36302220227          1.0000000        
P   1
  1      0.15733924392          1.0000000        
P   1
  1      0.40000000000E-01            1.0000000        
P   1
  1      0.16000000000E-01            1.0000000        
D   2
  1      0.8000000              0.3200000000     
  2      0.25907866956          1.0000000000     
D   1
  1      0.42507438045E-01            1.0000000        
D   1
  1      0.11909276840E-01            1.0000000        
F   1
  1      0.4000000              1.0000000        


name: dhf-TZVP
description: N/A
elt: Sr
data:
STRONTIUM
S   3
  1     20.000000000           -0.17049922921E-02      
  2     10.000000000           -0.18079653270    
  3      8.5000000000           0.32742827842    
S   1
  1      3.0057048856           1.0000000        
S   1
  1      0.61161287650          1.0000000        
S   1
  1      0.27393841217          1.0000000        
S   1
  1      0.57435564563E-01            1.0000000        
S   1
  1      0.23338198665E-01            1.0000000        
P   4
  1     20.557138301            0.12317975675E-02      
  2      7.5883077869           0.15286204912E-01      
  3      3.6731307392          -0.14247822183    
  4      0.90496618455          0.39434833689    
P   1
  1      0.43310256408          1.0000000        
P   1
  1      0.20222168964          1.0000000        
P   1
  1      0.72000000000E-01            1.0000000        
P   1
  1      0.25000000000E-01            1.0000000        
D   3
  1      3.6180810000           0.36543404295E-02      
  2      0.99665600000          0.11375323313    
  3      0.39073500000          0.27130845772    
D   1
  1      0.12277000000          1.0000000        
D   1
  1      0.36655000000E-01            1.0000000        
F   1
  1      0.5000000              1.0000000        


name: dhf-TZVP
description: N/A
elt: Y
data:
YTTRIUM
S   2
  1     10.000000000           -0.17013635782    
  2      8.5000000000           0.35126526456    
S   1
  1      3.3653905454           1.0000000        
S   1
  1      0.68860679385          1.0000000        
S   1
  1      0.31191502936          1.0000000        
S   1
  1      0.70326042567E-01            1.0000000        
S   1
  1      0.27733859327E-01            1.0000000        
P   3
  1      9.1505283151           0.26569007552E-01      
  2      3.9853346750          -0.21148696329    
  3      1.0189966575           0.55070766400    
P   1
  1      0.49843561636          1.0000000        
P   1
  1      0.23307661842          1.0000000        
P   1
  1      0.80000000000E-01            1.0000000        
P   1
  1      0.27000000000E-01            1.0000000        
D   4
  1     11.300000000            0.12026765764E-03      
  2      4.5884439393          -0.21042543747E-02      
  3      1.1363234302           0.19591900392    
  4      0.45617043877          0.39995540301    
D   1
  1      0.17470950748          1.0000000        
D   1
  1      0.61978796638E-01            1.0000000        
F   1
  1      0.2651500              1.0000000        


name: dhf-TZVP
description: N/A
elt: Zr
data:
ZIRCONIUM
S   2
  1     11.000000000           -0.18767989836    
  2      9.5000000000           0.35081177481    
S   1
  1      3.6383667759           1.0000000        
S   1
  1      0.76822026698          1.0000000        
S   1
  1      0.34036824036          1.0000000        
S   1
  1      0.75261298085E-01            1.0000000        
S   1
  1      0.30131404705E-01            1.0000000        
P   3
  1      9.0336621222           0.35362384710E-01      
  2      4.5382304686          -0.20582503313    
  3      1.1090818400           0.53135061603    
P   1
  1      0.54346076310          1.0000000        
P   1
  1      0.25022406048          1.0000000        
P   1
  1      0.85000000000E-01            1.0000000        
P   1
  1      0.29000000000E-01            1.0000000        
D   4
  1     20.000000000            0.12398488915E-02      
  2      7.0000000000          -0.43654048921E-02      
  3      1.2904939797           0.22552399206    
  4      0.51646987222          0.45375866406    
D   1
  1      0.19349797794          1.0000000        
D   1
  1      0.67309809967E-01            1.0000000        
F   1
  1      0.3926100              1.0000000        


name: dhf-TZVP
description: N/A
elt: Nb
data:
NIOBIUM
S   2
  1     12.000000000           -0.19999214494    
  2     10.500000000            0.34732385321    
S   1
  1      3.9276062854           1.0000000        
S   1
  1      0.85976543258          1.0000000        
S   1
  1      0.39074087505          1.0000000        
S   1
  1      0.86387259879E-01            1.0000000        
S   1
  1      0.32906200326E-01            1.0000000        
P   3
  1      9.6266708079           0.38264114626E-01      
  2      4.9751006361          -0.20743560710    
  3      1.2222133320           0.51929866729    
P   1
  1      0.60390590312          1.0000000        
P   1
  1      0.27967675553          1.0000000        
P   1
  1      0.90000000000E-01            1.0000000        
P   1
  1      0.30000000000E-01            1.0000000        
D   4
  1     13.897652388            0.33453812554E-02      
  2      7.8342195578          -0.79405371199E-02      
  3      1.5663438480           0.20338152338    
  4      0.66952425826          0.42838675999    
D   1
  1      0.27140946867          1.0000000        
D   1
  1      0.10054426592          1.0000000        
F   1
  1      0.5227000              1.0000000        


name: dhf-TZVP
description: N/A
elt: Mo
data:
MOLYBDENUM
S   2
  1     14.000000000           -0.22836327704    
  2     12.500000000            0.34484021607    
S   1
  1      4.0921501803           1.0000000        
S   1
  1      0.97053602586          1.0000000        
S   1
  1      0.44217620170          1.0000000        
S   1
  1      0.92915024334E-01            1.0000000        
S   1
  1      0.35016314389E-01            1.0000000        
P   3
  1      9.3952272483           0.63393966954E-01      
  2      5.6482532637          -0.23966584562    
  3      1.3201045600           0.55831480867    
P   1
  1      0.65494867461          1.0000000        
P   1
  1      0.30428197472          1.0000000        
P   1
  1      0.10000000000          1.0000000        
P   1
  1      0.33000000000E-01            1.0000000        
D   4
  1     17.700000000            0.27608843856E-02      
  2      8.2331755623          -0.10164171032E-01      
  3      1.7736823324           0.20843551996    
  4      0.76950591696          0.43506406250    
D   1
  1      0.31530878939          1.0000000        
D   1
  1      0.11754374390          1.0000000        
F   1
  1      0.6554500              1.0000000        


name: dhf-TZVP
description: N/A
elt: Tc
data:
TECHNETIUM
S   2
  1     15.000000000           -0.20497356066    
  2     12.910581694            0.35790309489    
S   1
  1      4.4493321158           1.0000000        
S   1
  1      1.0548409451           1.0000000        
S   1
  1      0.47909677246          1.0000000        
S   1
  1      0.99124162989E-01            1.0000000        
S   1
  1      0.36882799789E-01            1.0000000        
P   3
  1     12.384776786            0.49097059553E-01      
  2      5.6144496771          -0.34957849310    
  3      1.4870580805           0.86850835645    
P   1
  1      0.72934632066          1.0000000        
P   1
  1      0.33913558879          1.0000000        
P   1
  1      0.11000000000          1.0000000        
P   1
  1      0.35000000000E-01            1.0000000        
D   4
  1     20.100000000            0.22993024619E-02      
  2      8.2059084569          -0.11588919181E-01      
  3      2.0156178510           0.20721050118    
  4      0.88113887240          0.44273446898    
D   1
  1      0.36427094833          1.0000000        
D   1
  1      0.13678402297          1.0000000        
F   1
  1      0.7908500              1.0000000        


name: dhf-TZVP
description: N/A
elt: Ru
data:
RUTHENIUM
S   2
  1     16.000000000           -0.20394782657    
  2     13.910581694            0.33927497879    
S   1
  1      4.7967971407           1.0000000        
S   1
  1      1.1555425594           1.0000000        
S   1
  1      0.52455741182          1.0000000        
S   1
  1      0.10734572646          1.0000000        
S   1
  1      0.39432760192E-01            1.0000000        
P   3
  1     13.132450232            0.31766773353E-01      
  2      6.0614463855          -0.21596457680    
  3      1.6183945935           0.52748420468    
P   1
  1      0.79326493538          1.0000000        
P   1
  1      0.36707276865          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     23.585529399            0.20433705286E-02      
  2      8.4380303766          -0.15635265449E-01      
  3      2.2483686294           0.21204601469    
  4      0.98376978359          0.44442278014    
D   1
  1      0.40379445583          1.0000000        
D   1
  1      0.14978618173          1.0000000        
F   1
  1      0.9431400              1.0000000        


name: dhf-TZVP
description: N/A
elt: Rh
data:
RHODIUM
S   2
  1     17.000000000           -0.16525939464    
  2     13.910581694            0.35222620108    
S   1
  1      5.2481265288           1.0000000        
S   1
  1      1.2262575928           1.0000000        
S   1
  1      0.53930216349          1.0000000        
S   1
  1      0.10130730377          1.0000000        
S   1
  1      0.37124139005E-01            1.0000000        
P   3
  1     13.858065316            0.44074430582E-01      
  2      6.5565568253          -0.28210751307    
  3      1.7420453790           0.68956909331    
P   1
  1      0.84321166133          1.0000000        
P   1
  1      0.38295544759          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     21.930344638            0.34925078816E-02      
  2     10.341607732           -0.11687733761E-01      
  3      2.3034380805           0.23814866744    
  4      0.98882847639          0.43806664216    
D   1
  1      0.39066558415          1.0000000        
D   1
  1      0.13746354361          1.0000000        
F   1
  1      1.0949900              1.0000000        


name: dhf-TZVP
description: N/A
elt: Pd
data:
PALLADIUM
S   2
  1     18.000000000           -0.16407607652    
  2     14.662134308            0.35325094164    
S   1
  1      5.6388709265           1.0000000        
S   1
  1      1.3198953252           1.0000000        
S   1
  1      0.57817908509          1.0000000        
S   1
  1      0.10352166239          1.0000000        
S   1
  1      0.37548442674E-01            1.0000000        
P   3
  1     14.309112016            0.42571324958E-01      
  2      7.0430224289          -0.24665218099    
  3      1.8814039648           0.58148486528    
P   1
  1      0.90737168760          1.0000000        
P   1
  1      0.40877210813          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     21.691138245            0.44671494556E-02      
  2      9.7043934973          -0.17347288928E-01      
  3      2.5077095127           0.25185332130    
  4      1.0747359084           0.44327432091    
D   1
  1      0.42613842853          1.0000000        
D   1
  1      0.15046355385          1.0000000        
F   1
  1      1.2462900              1.0000000        


name: dhf-TZVP
description: N/A
elt: Ag
data:
SILVER
S   2
  1     19.000000000           -0.17074642766    
  2     15.428199933            0.34871551158    
S   1
  1      6.0553507268           1.0000000        
S   1
  1      1.4162368935           1.0000000        
S   1
  1      0.61758635858          1.0000000        
S   1
  1      0.10474197431          1.0000000        
S   1
  1      0.37685106264E-01            1.0000000        
P   3
  1     12.418786621            0.68702935059E-01      
  2      7.7952789138          -0.21452542382    
  3      2.0351571912           0.38110620688    
P   1
  1      0.98093914842          1.0000000        
P   1
  1      0.44451179958          1.0000000        
P   1
  1      0.13000000000          1.0000000        
P   1
  1      0.41200000000E-01            1.0000000        
D   4
  1     25.700042673            0.36661791550E-02      
  2     11.230073303           -0.13660002915E-01      
  3      2.7263753229           0.25193121271    
  4      1.1854609521           0.44390066430    
D   1
  1      0.47316910566          1.0000000        
D   1
  1      0.16746017986          1.0000000        
F   1
  1      1.3971100              1.0000000        


name: dhf-TZVP
description: N/A
elt: Cd
data:
CADMIUM
S   2
  1     20.000000000           -0.17823944467    
  2     16.309051661            0.36561433545    
S   1
  1      6.4512709901           1.0000000        
S   1
  1      1.5350047390           1.0000000        
S   1
  1      0.68983631523          1.0000000        
S   1
  1      0.13475720977          1.0000000        
S   1
  1      0.47416874527E-01            1.0000000        
P   3
  1     13.981034890            0.70089123587E-01      
  2      8.3114877755          -0.25556098458    
  3      2.1941503996           0.49379957616    
P   1
  1      1.0779246137           1.0000000        
P   1
  1      0.50111879846          1.0000000        
P   1
  1      0.16000000000          1.0000000        
P   1
  1      0.51600000000E-01            1.0000000        
D   4
  1     31.049645555            0.33284865119E-02      
  2     12.484011626           -0.11662713885E-01      
  3      3.0981185651           0.24599175009    
  4      1.3707139002           0.45211111372    
D   1
  1      0.56399409888          1.0000000        
D   1
  1      0.20916686535          1.0000000        
F   1
  1      1.5981300              1.0000000        


name: dhf-TZVP
description: N/A
elt: I
data:
IODINE
S   5
  1   5899.5791533              0.24188269271E-03      
  2    898.54238765             0.15474041742E-02      
  3    200.37237912             0.42836684457E-02      
  4     31.418053840           -0.39417936275E-01      
  5     15.645987838            0.96086691992    
S   2
  1     11.815741857            0.57815778954    
  2      6.4614458287           0.37374293124    
S   1
  1      2.3838067579           1.0000000        
S   1
  1      1.1712089662           1.0000000        
S   1
  1      0.32115875757          1.0000000        
S   1
  1      0.12387919364          1.0000000        
P   3
  1    185.43362455             0.83127824000E-03      
  2     20.091408146            0.63991653000E-01      
  3      9.7577022390          -0.27791138000    
P   4
  1     13.068307912           -0.49793790382E-01      
  2      3.5818714205           0.38212490511    
  3      2.0282441852           0.70447564804    
  4      1.0181492146           0.33781067803    
P   1
  1      0.46673773115          1.0000000        
P   1
  1      0.19242597960          1.0000000        
P   1
  1      0.74508878495E-01            1.0000000        
D   6
  1    124.20341062             0.65671747209E-03      
  2     34.587311801            0.51648185674E-02      
  3     12.767328064           -0.19881371307E-01      
  4      4.7745100133           0.21386794109    
  5      2.4582209028           0.43405444707    
  6      1.1923708147           0.37850637882    
D   1
  1      0.52883971906          1.0000000        
D   1
  1      0.17008164307          1.0000000        
F   1
  1      0.44141808             1.0000000        
F   1
  1      2.1800000              1.0000000        


name: dhf-TZVP
description: N/A
elt: Cs
data:
CESIUM
S   3
  1      5.8778113443           0.12782201133    
  2      4.3631538286          -0.34618513255    
  3      1.8048475155           0.70358543418    
S   1
  1      0.37485237136          1.0000000        
S   1
  1      0.16384858778          1.0000000        
S   1
  1      0.27230462048E-01            1.0000000        
S   1
  1      0.11991533212E-01            1.0000000        
S   1
  1      0.0667000              1.0000000        
P   3
  1      4.2751856154           0.45723591918E-01      
  2      1.9656663360          -0.25027497074    
  3      0.47689195212          0.55587710354    
P   1
  1      0.21529749588          1.0000000        
P   1
  1      0.91450850296E-01            1.0000000        
P   1
  1      0.17592078473E-01            1.0000000        
D   1
  1      0.27941471548          1.0000000        
D   1
  1      0.62419809739E-01            1.0000000        
D   1
  1      0.15987870156E-01            1.0000000        
F   4
  1      9.0000000              0.0310000        
  2      2.9000000              0.0870000        
  3      0.9000000              0.1780000        
  4      0.2900000              0.2610000        


name: dhf-TZVP
description: N/A
elt: Ba
data:
BARIUM
S   3
  1      5.7000000000          -0.52447767129    
  2      5.2043612469           0.70092354637    
  3      2.4053149919           0.87397541128    
S   1
  1      2.1451943914           1.0000000        
S   1
  1      0.41486174100          1.0000000        
S   1
  1      0.19214757016          1.0000000        
S   1
  1      0.48465890337E-01            1.0000000        
S   1
  1      0.20138298948E-01            1.0000000        
P   4
  1      5.5000000000           0.60831770069E-01      
  2      4.9017938336          -0.63284716561E-01      
  3      2.5715250637          -3.0800107636     
  4      2.6142685062           2.9079718598     
P   1
  1      0.47903394983          1.0000000        
P   1
  1      0.19415138747          1.0000000        
P   1
  1      0.34917622027E-01            1.0000000        
P   1
  1      0.16320065666E-01            1.0000000        
D   3
  1      0.96631500000         -0.38128634389    
  2      0.89382800000          0.46616787237    
  3      0.27319500000          0.34754521238    
D   1
  1      0.10389100000          1.0000000        
D   1
  1      0.35578000000E-01            1.0000000        
F   4
  1     10.0000000              0.0730000        
  2      3.2000000              0.2100000        
  3      1.0000000              0.3500000        
  4      0.3200000              0.3600000        


name: dhf-TZVP
description: N/A
elt: Hf
data:
HAFNIUM
S   4
  1     24.000000000            0.22105582070    
  2     16.000000000           -3.5812539434     
  3     14.400000000            4.2538249256     
  4     10.304504667           -0.69586365081    
S   1
  1      3.7930173975           1.0000000        
S   1
  1      1.0189877143           1.0000000        
S   1
  1      0.45985511458          1.0000000        
S   1
  1      0.92752376673E-01            1.0000000        
S   1
  1      0.35718747396E-01            1.0000000        
P   3
  1     22.353629203           -0.74529620838E-02      
  2      8.7403508095           0.15635970402    
  3      4.8501567161          -0.44869151461    
P   1
  1      1.2573944258           1.0000000        
P   1
  1      0.61115481502          1.0000000        
P   1
  1      0.26740341018          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
D   4
  1      8.0559644562           0.96734715928E-02      
  2      4.3420511504          -0.54567079465E-01      
  3      1.1836909211           0.19687724953    
  4      0.51336795676          0.40004510632    
D   1
  1      0.20546727725          1.0000000        
D   1
  1      0.73669893882E-01            1.0000000        
F   1
  1      0.3154700              1.0000000        


name: dhf-TZVP
description: N/A
elt: Ta
data:
TANTALUM
S   4
  1     24.473650944            0.25035108815    
  2     18.721372549           -0.85456668089    
  3     11.500000000            3.5333106192     
  4     10.350000000           -2.7919577177     
S   1
  1      3.7793658231           1.0000000        
S   1
  1      1.1184570488           1.0000000        
S   1
  1      0.50385424438          1.0000000        
S   1
  1      0.10340974710          1.0000000        
S   1
  1      0.39154754640E-01            1.0000000        
P   3
  1     18.270714541           -0.68710552225E-01      
  2     10.055220364            0.51362842334    
  3      5.0278760583          -1.4890697965     
P   1
  1      1.2488904934           1.0000000        
P   1
  1      0.59456513937          1.0000000        
P   1
  1      0.26177351800          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
D   4
  1     15.346965667            0.33754239693E-02      
  2      3.9738796278          -0.66125480059E-01      
  3      1.4528884813           0.17923632276    
  4      0.61042908544          0.44087337990    
D   1
  1      0.23897314770          1.0000000        
D   1
  1      0.86779694938E-01            1.0000000        
F   1
  1      0.3738600              1.0000000        


name: dhf-TZVP
description: N/A
elt: W
data:
TUNGSTEN
S   3
  1     30.000000000            0.33646094896    
  2     27.000000000           -0.47323259360    
  3     13.078045684            0.39654129081    
S   1
  1      4.4866821998           1.0000000        
S   1
  1      1.0676733497           1.0000000        
S   1
  1      0.49550863083          1.0000000        
S   1
  1      0.11256119066          1.0000000        
S   1
  1      0.41497932182E-01            1.0000000        
P   3
  1     18.604377714           -0.19980897234E-01      
  2     11.534117568            0.94830355989E-01      
  3      5.1586217658          -0.28992519848    
P   1
  1      1.3495269329           1.0000000        
P   1
  1      0.65032454901          1.0000000        
P   1
  1      0.28505684037          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
D   4
  1      7.9566935938           0.19932954326E-01      
  2      4.9753774027          -0.80010753581E-01      
  3      1.3171445938           0.26394386420    
  4      0.57153508541          0.44246824709    
D   1
  1      0.23942399163          1.0000000        
D   1
  1      0.91746167038E-01            1.0000000        
F   1
  1      0.4319900              1.0000000        


name: dhf-TZVP
description: N/A
elt: Re
data:
RHENIUM
S   3
  1     30.000000000            0.32736959901    
  2     27.000000000           -0.46770504464    
  3     13.078045684            0.44300386653    
S   1
  1      4.7381866484           1.0000000        
S   1
  1      1.0979652393           1.0000000        
S   1
  1      0.50783195067          1.0000000        
S   1
  1      0.12110370400          1.0000000        
S   1
  1      0.43982739576E-01            1.0000000        
P   3
  1     18.000000000           -0.26125487417E-01      
  2     12.318606250            0.98014768659E-01      
  3      5.3719234505          -0.30094548401    
P   1
  1      1.3583884199           1.0000000        
P   1
  1      0.64649515864          1.0000000        
P   1
  1      0.28522146104          1.0000000        
P   1
  1      0.70000000000E-01            1.0000000        
D   4
  1      8.2382690889           0.23870789207E-01      
  2      5.5663143610          -0.75864095756E-01      
  3      1.3871105497           0.27418289344    
  4      0.62324027854          0.44465089921    
D   1
  1      0.26584392576          1.0000000        
D   1
  1      0.10334100901          1.0000000        
F   1
  1      0.4898900              1.0000000        


name: dhf-TZVP
description: N/A
elt: Os
data:
OSMIUM
S   3
  1     30.000000000            0.33141866297    
  2     27.000000000           -0.48200100744    
  3     13.524730005            0.46488084495    
S   1
  1      4.9499564865           1.0000000        
S   1
  1      1.1513700273           1.0000000        
S   1
  1      0.53139802369          1.0000000        
S   1
  1      0.13011178043          1.0000000        
S   1
  1      0.46817470581E-01            1.0000000        
P   3
  1     18.505166000            0.26098871187E-01      
  2     12.784506964           -0.10138659502    
  3      5.5458290420           0.33424024154    
P   1
  1      1.4290955836           1.0000000        
P   1
  1      0.67620099294          1.0000000        
P   1
  1      0.29078367898          1.0000000        
P   1
  1      0.52000000000E-01            1.0000000        
D   4
  1      8.2945059487           0.76753750464E-01      
  2      6.3060397430          -0.17425532033    
  3      1.4890109110           0.55170115614    
  4      0.67315390607          0.88656469017    
D   1
  1      0.28539893892          1.0000000        
D   1
  1      0.11021318859          1.0000000        
F   1
  1      0.5506500              1.0000000        


name: dhf-TZVP
description: N/A
elt: Ir
data:
IRIDIUM
S   3
  1     30.000000000            0.31200447363    
  2     27.000000000           -0.46456771410    
  3     13.961973911            0.46858576256    
S   1
  1      5.1540551357           1.0000000        
S   1
  1      1.2159100117           1.0000000        
S   1
  1      0.56020154365          1.0000000        
S   1
  1      0.13865602591          1.0000000        
S   1
  1      0.49486178090E-01            1.0000000        
P   3
  1     30.895152000           -0.61444524648E-02      
  2     11.397688000            0.16084036063    
  3      5.8657638761          -0.61059993342    
P   1
  1      1.5022395985           1.0000000        
P   1
  1      0.71375872878          1.0000000        
P   1
  1      0.30778942275          1.0000000        
P   1
  1      0.56000000000E-01            1.0000000        
D   4
  1     10.091474036            0.15157882873E-01      
  2      6.2257771610          -0.64560142244E-01      
  3      1.5808379663           0.29126033930    
  4      0.71827834905          0.44274933861    
D   1
  1      0.30863178248          1.0000000        
D   1
  1      0.11970185848          1.0000000        
F   1
  1      0.6100800              1.0000000        


name: dhf-TZVP
description: N/A
elt: Pt
data:
PLATINUM
S   3
  1     30.000000000            0.27425994299    
  2     27.000000000           -0.42037214898    
  3     14.408318564            0.44313561549    
S   1
  1      5.3630116599           1.0000000        
S   1
  1      1.2905323095           1.0000000        
S   1
  1      0.58662989948          1.0000000        
S   1
  1      0.13790102055          1.0000000        
S   1
  1      0.49321911358E-01            1.0000000        
P   3
  1     24.973417000           -0.34341197521E-02      
  2     12.162265685            0.49482463995E-01      
  3      6.1161212339          -0.18543134640    
P   1
  1      1.5737435708           1.0000000        
P   1
  1      0.74365838375          1.0000000        
P   1
  1      0.31942317854          1.0000000        
P   1
  1      0.57000000000E-01            1.0000000        
D   4
  1     10.178295702            0.17335728527E-01      
  2      6.6286436520          -0.63950014994E-01      
  3      1.6570410639           0.30095098211    
  4      0.73943569960          0.44582511233    
D   1
  1      0.30537179836          1.0000000        
D   1
  1      0.11345495014          1.0000000        
F   1
  1      0.6681300              1.0000000        


name: dhf-TZVP
description: N/A
elt: Au
data:
GOLD
S   3
  1     30.000000000            0.20199617249    
  2     27.000000000           -0.32928957373    
  3     14.746824331            0.40585528600    
S   1
  1      5.6091587912           1.0000000        
S   1
  1      1.3643634132           1.0000000        
S   1
  1      0.61656895887          1.0000000        
S   1
  1      0.13995954313          1.0000000        
S   1
  1      0.49334580278E-01            1.0000000        
P   3
  1     24.708233346           -0.61870876857E-02      
  2     12.351765722            0.86828980159E-01      
  3      6.4227368205          -0.30464846393    
P   1
  1      1.6582165111           1.0000000        
P   1
  1      0.78113181540          1.0000000        
P   1
  1      0.33105069878          1.0000000        
P   1
  1      0.45000000000E-01            1.0000000        
D   4
  1     10.620604032            0.20561850202E-01      
  2      7.0985987156          -0.69876065811E-01      
  3      1.7746496789           0.30533062224    
  4      0.79960541055          0.44810704955    
D   1
  1      0.33293576596          1.0000000        
D   1
  1      0.12447224161          1.0000000        
F   1
  1      0.7248200              1.0000000        


name: dhf-TZVP
description: N/A
elt: Hg
data:
MERCURY
S   3
  1     48.013786990            0.58613168385E-02      
  2     21.239875095           -0.17590367988    
  3     15.876100879            0.35780354753    
S   1
  1      5.4837607070           1.0000000        
S   1
  1      1.5480592128           1.0000000        
S   1
  1      0.72425230437          1.0000000        
S   1
  1      0.16369906863          1.0000000        
S   1
  1      0.57211615334E-01            1.0000000        
P   3
  1     23.291760168           -0.83564430982E-02      
  2     13.028969569            0.83703058587E-01      
  3      6.5100040792          -0.31023833705    
P   1
  1      1.8167935815           1.0000000        
P   1
  1      0.90079391013          1.0000000        
P   1
  1      0.41304090835          1.0000000        
P   1
  1      0.11845879331          1.0000000        
P   1
  1      0.36084184656E-01            1.0000000        
D   4
  1     15.176302343            0.60654575178E-02      
  2      6.7004896493          -0.59880306300E-01      
  3      1.9144256118           0.31411145584    
  4      0.88641552102          0.45081091161    
D   1
  1      0.38364767725          1.0000000        
D   1
  1      0.14936891490          1.0000000        
F   1
  1      0.7956900              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Rb
data:
RUBIDIUM
S   2
  1      7.4744618040           0.26971657922    
  2      6.7296180594          -0.42652758235    
S   1
  1      2.7816640004           1.0000000        
S   1
  1      0.53452175148          1.0000000        
S   1
  1      0.22368793034          1.0000000        
S   1
  1      0.32410407052E-01            1.0000000        
S   1
  1      0.14171047424E-01            1.0000000        
P   3
  1      5.6720643194           0.44159389068E-01      
  2      3.3320183956          -0.17917552036    
  3      0.80150054910          0.43630668278    
P   1
  1      0.36302220227          1.0000000        
P   1
  1      0.15733924392          1.0000000        
P   1
  1      0.40000000000E-01            1.0000000        
P   1
  1      0.16000000000E-01            1.0000000        
D   2
  1      0.8000000              0.3200000000     
  2      0.25907866956          1.0000000000     
D   1
  1      0.42507438045E-01            1.0000000        
D   1
  1      0.11909276840E-01            1.0000000        
F   1
  1      0.4000000              1.0000000        
F   1
  1      0.0900000              1.0000000        
G   1
  1      0.3300000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Sr
data:
STRONTIUM
S   3
  1     20.000000000           -0.17049922921E-02      
  2     10.000000000           -0.18079653270    
  3      8.5000000000           0.32742827842    
S   1
  1      3.0057048856           1.0000000        
S   1
  1      0.61161287650          1.0000000        
S   1
  1      0.27393841217          1.0000000        
S   1
  1      0.57435564563E-01            1.0000000        
S   1
  1      0.23338198665E-01            1.0000000        
P   4
  1     20.557138301            0.12317975675E-02      
  2      7.5883077869           0.15286204912E-01      
  3      3.6731307392          -0.14247822183    
  4      0.90496618455          0.39434833689    
P   1
  1      0.43310256408          1.0000000        
P   1
  1      0.20222168964          1.0000000        
P   1
  1      0.72000000000E-01            1.0000000        
P   1
  1      0.25000000000E-01            1.0000000        
D   3
  1      3.6180810000           0.36543404295E-02      
  2      0.99665600000          0.11375323313    
  3      0.39073500000          0.27130845772    
D   1
  1      0.12277000000          1.0000000        
D   1
  1      0.36655000000E-01            1.0000000        
F   1
  1      0.5000000              1.0000000        
F   1
  1      0.1200000              1.0000000        
G   1
  1      0.4500000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Y
data:
YTTRIUM
S   2
  1     10.000000000           -0.17013635782    
  2      8.5000000000           0.35126526456    
S   1
  1      3.3653905454           1.0000000        
S   1
  1      0.68860679385          1.0000000        
S   1
  1      0.31191502936          1.0000000        
S   1
  1      0.70326042567E-01            1.0000000        
S   1
  1      0.27733859327E-01            1.0000000        
P   3
  1      9.1505283151           0.26569007552E-01      
  2      3.9853346750          -0.21148696329    
  3      1.0189966575           0.55070766400    
P   1
  1      0.49843561636          1.0000000        
P   1
  1      0.23307661842          1.0000000        
P   1
  1      0.80000000000E-01            1.0000000        
P   1
  1      0.27000000000E-01            1.0000000        
D   4
  1     11.300000000            0.12026765764E-03      
  2      4.5884439393          -0.21042543747E-02      
  3      1.1363234302           0.19591900392    
  4      0.45617043877          0.39995540301    
D   1
  1      0.17470950748          1.0000000        
D   1
  1      0.61978796638E-01            1.0000000        
F   1
  1      0.3861100              1.0000000        
F   1
  1      0.1076600              1.0000000        
G   1
  1      0.1114900              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Zr
data:
ZIRCONIUM
S   2
  1     11.000000000           -0.18767989836    
  2      9.5000000000           0.35081177481    
S   1
  1      3.6383667759           1.0000000        
S   1
  1      0.76822026698          1.0000000        
S   1
  1      0.34036824036          1.0000000        
S   1
  1      0.75261298085E-01            1.0000000        
S   1
  1      0.30131404705E-01            1.0000000        
P   3
  1      9.0336621222           0.35362384710E-01      
  2      4.5382304686          -0.20582503313    
  3      1.1090818400           0.53135061603    
P   1
  1      0.54346076310          1.0000000        
P   1
  1      0.25022406048          1.0000000        
P   1
  1      0.85000000000E-01            1.0000000        
P   1
  1      0.29000000000E-01            1.0000000        
D   4
  1     20.000000000            0.12398488915E-02      
  2      7.0000000000          -0.43654048921E-02      
  3      1.2904939797           0.22552399206    
  4      0.51646987222          0.45375866406    
D   1
  1      0.19349797794          1.0000000        
D   1
  1      0.67309809967E-01            1.0000000        
F   1
  1      0.6532200              1.0000000        
F   1
  1      0.1829300              1.0000000        
G   1
  1      0.2898900              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Nb
data:
NIOBIUM
S   2
  1     12.000000000           -0.19999214494    
  2     10.500000000            0.34732385321    
S   1
  1      3.9276062854           1.0000000        
S   1
  1      0.85976543258          1.0000000        
S   1
  1      0.39074087505          1.0000000        
S   1
  1      0.86387259879E-01            1.0000000        
S   1
  1      0.32906200326E-01            1.0000000        
P   3
  1      9.6266708079           0.38264114626E-01      
  2      4.9751006361          -0.20743560710    
  3      1.2222133320           0.51929866729    
P   1
  1      0.60390590312          1.0000000        
P   1
  1      0.27967675553          1.0000000        
P   1
  1      0.90000000000E-01            1.0000000        
P   1
  1      0.30000000000E-01            1.0000000        
D   4
  1     13.897652388            0.33453812554E-02      
  2      7.8342195578          -0.79405371199E-02      
  3      1.5663438480           0.20338152338    
  4      0.66952425826          0.42838675999    
D   1
  1      0.27140946867          1.0000000        
D   1
  1      0.10054426592          1.0000000        
F   1
  1      0.9180100              1.0000000        
F   1
  1      0.2582000              1.0000000        
G   1
  1      0.4682900              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Mo
data:
MOLYBDENUM
S   2
  1     14.000000000           -0.22836327704    
  2     12.500000000            0.34484021607    
S   1
  1      4.0921501803           1.0000000        
S   1
  1      0.97053602586          1.0000000        
S   1
  1      0.44217620170          1.0000000        
S   1
  1      0.92915024334E-01            1.0000000        
S   1
  1      0.35016314389E-01            1.0000000        
P   3
  1      9.3952272483           0.63393966954E-01      
  2      5.6482532637          -0.23966584562    
  3      1.3201045600           0.55831480867    
P   1
  1      0.65494867461          1.0000000        
P   1
  1      0.30428197472          1.0000000        
P   1
  1      0.10000000000          1.0000000        
P   1
  1      0.33000000000E-01            1.0000000        
D   4
  1     17.700000000            0.27608843856E-02      
  2      8.2331755623          -0.10164171032E-01      
  3      1.7736823324           0.20843551996    
  4      0.76950591696          0.43506406250    
D   1
  1      0.31530878939          1.0000000        
D   1
  1      0.11754374390          1.0000000        
F   1
  1      1.1805100              1.0000000        
F   1
  1      0.3334800              1.0000000        
G   1
  1      0.6467000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Tc
data:
TECHNETIUM
S   2
  1     15.000000000           -0.20497356066    
  2     12.910581694            0.35790309489    
S   1
  1      4.4493321158           1.0000000        
S   1
  1      1.0548409451           1.0000000        
S   1
  1      0.47909677246          1.0000000        
S   1
  1      0.99124162989E-01            1.0000000        
S   1
  1      0.36882799789E-01            1.0000000        
P   3
  1     12.384776786            0.49097059553E-01      
  2      5.6144496771          -0.34957849310    
  3      1.4870580805           0.86850835645    
P   1
  1      0.72934632066          1.0000000        
P   1
  1      0.33913558879          1.0000000        
P   1
  1      0.11000000000          1.0000000        
P   1
  1      0.35000000000E-01            1.0000000        
D   4
  1     20.100000000            0.22993024619E-02      
  2      8.2059084569          -0.11588919181E-01      
  3      2.0156178510           0.20721050118    
  4      0.88113887240          0.44273446898    
D   1
  1      0.36427094833          1.0000000        
D   1
  1      0.13678402297          1.0000000        
F   1
  1      1.4406400              1.0000000        
F   1
  1      0.4087500              1.0000000        
G   1
  1      0.8251000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Ru
data:
RUTHENIUM
S   2
  1     16.000000000           -0.20394782657    
  2     13.910581694            0.33927497879    
S   1
  1      4.7967971407           1.0000000        
S   1
  1      1.1555425594           1.0000000        
S   1
  1      0.52455741182          1.0000000        
S   1
  1      0.10734572646          1.0000000        
S   1
  1      0.39432760192E-01            1.0000000        
P   3
  1     13.132450232            0.31766773353E-01      
  2      6.0614463855          -0.21596457680    
  3      1.6183945935           0.52748420468    
P   1
  1      0.79326493538          1.0000000        
P   1
  1      0.36707276865          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     23.585529399            0.20433705286E-02      
  2      8.4380303766          -0.15635265449E-01      
  3      2.2483686294           0.21204601469    
  4      0.98376978359          0.44442278014    
D   1
  1      0.40379445583          1.0000000        
D   1
  1      0.14978618173          1.0000000        
F   1
  1      1.7077900              1.0000000        
F   1
  1      0.4844200              1.0000000        
G   1
  1      1.0093000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Rh
data:
RHODIUM
S   2
  1     17.000000000           -0.16525939464    
  2     13.910581694            0.35222620108    
S   1
  1      5.2481265288           1.0000000        
S   1
  1      1.2262575928           1.0000000        
S   1
  1      0.53930216349          1.0000000        
S   1
  1      0.10130730377          1.0000000        
S   1
  1      0.37124139005E-01            1.0000000        
P   3
  1     13.858065316            0.44074430582E-01      
  2      6.5565568253          -0.28210751307    
  3      1.7420453790           0.68956909331    
P   1
  1      0.84321166133          1.0000000        
P   1
  1      0.38295544759          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     21.930344638            0.34925078816E-02      
  2     10.341607732           -0.11687733761E-01      
  3      2.3034380805           0.23814866744    
  4      0.98882847639          0.43806664216    
D   1
  1      0.39066558415          1.0000000        
D   1
  1      0.13746354361          1.0000000        
F   1
  1      1.9750700              1.0000000        
F   1
  1      0.5600900              1.0000000        
G   1
  1      1.1935000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Pd
data:
PALLADIUM
S   2
  1     18.000000000           -0.16407607652    
  2     14.662134308            0.35325094164    
S   1
  1      5.6388709265           1.0000000        
S   1
  1      1.3198953252           1.0000000        
S   1
  1      0.57817908509          1.0000000        
S   1
  1      0.10352166239          1.0000000        
S   1
  1      0.37548442674E-01            1.0000000        
P   3
  1     14.309112016            0.42571324958E-01      
  2      7.0430224289          -0.24665218099    
  3      1.8814039648           0.58148486528    
P   1
  1      0.90737168760          1.0000000        
P   1
  1      0.40877210813          1.0000000        
P   1
  1      0.11500000000          1.0000000        
P   1
  1      0.37000000000E-01            1.0000000        
D   4
  1     21.691138245            0.44671494556E-02      
  2      9.7043934973          -0.17347288928E-01      
  3      2.5077095127           0.25185332130    
  4      1.0747359084           0.44327432091    
D   1
  1      0.42613842853          1.0000000        
D   1
  1      0.15046355385          1.0000000        
F   1
  1      2.2424600              1.0000000        
F   1
  1      0.6357500              1.0000000        
G   1
  1      1.3777000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Ag
data:
SILVER
S   2
  1     19.000000000           -0.17074642766    
  2     15.428199933            0.34871551158    
S   1
  1      6.0553507268           1.0000000        
S   1
  1      1.4162368935           1.0000000        
S   1
  1      0.61758635858          1.0000000        
S   1
  1      0.10474197431          1.0000000        
S   1
  1      0.37685106264E-01            1.0000000        
P   3
  1     12.418786621            0.68702935059E-01      
  2      7.7952789138          -0.21452542382    
  3      2.0351571912           0.38110620688    
P   1
  1      0.98093914842          1.0000000        
P   1
  1      0.44451179958          1.0000000        
P   1
  1      0.13000000000          1.0000000        
P   1
  1      0.41200000000E-01            1.0000000        
D   4
  1     25.700042673            0.36661791550E-02      
  2     11.230073303           -0.13660002915E-01      
  3      2.7263753229           0.25193121271    
  4      1.1854609521           0.44390066430    
D   1
  1      0.47316910566          1.0000000        
D   1
  1      0.16746017986          1.0000000        
F   1
  1      2.5100300              1.0000000        
F   1
  1      0.7114200              1.0000000        
G   1
  1      1.5619000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Cd
data:
CADMIUM
S   2
  1     20.000000000           -0.17823944467    
  2     16.309051661            0.36561433545    
S   1
  1      6.4512709901           1.0000000        
S   1
  1      1.5350047390           1.0000000        
S   1
  1      0.68983631523          1.0000000        
S   1
  1      0.13475720977          1.0000000        
S   1
  1      0.47416874527E-01            1.0000000        
P   3
  1     13.981034890            0.70089123587E-01      
  2      8.3114877755          -0.25556098458    
  3      2.1941503996           0.49379957616    
P   1
  1      1.0779246137           1.0000000        
P   1
  1      0.50111879846          1.0000000        
P   1
  1      0.16000000000          1.0000000        
P   1
  1      0.51600000000E-01            1.0000000        
D   4
  1     31.049645555            0.33284865119E-02      
  2     12.484011626           -0.11662713885E-01      
  3      3.0981185651           0.24599175009    
  4      1.3707139002           0.45211111372    
D   1
  1      0.56399409888          1.0000000        
D   1
  1      0.20916686535          1.0000000        
F   1
  1      2.8400100              1.0000000        
F   1
  1      0.8204800              1.0000000        
G   1
  1      1.7896000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Cs
data:
CESIUM
S   3
  1      5.8778113443           0.12782201133    
  2      4.3631538286          -0.34618513255    
  3      1.8048475155           0.70358543418    
S   1
  1      0.37485237136          1.0000000        
S   1
  1      0.16384858778          1.0000000        
S   1
  1      0.27230462048E-01            1.0000000        
S   1
  1      0.11991533212E-01            1.0000000        
S   1
  1      0.0667000              1.0000000        
P   3
  1      4.2751856154           0.45723591918E-01      
  2      1.9656663360          -0.25027497074    
  3      0.47689195212          0.55587710354    
P   1
  1      0.21529749588          1.0000000        
P   1
  1      0.91450850296E-01            1.0000000        
P   1
  1      0.17592078473E-01            1.0000000        
D   1
  1      0.27941471548          1.0000000        
D   1
  1      0.62419809739E-01            1.0000000        
D   1
  1      0.15987870156E-01            1.0000000        
F   4
  1      9.0000000              0.0310000        
  2      2.9000000              0.0870000        
  3      0.9000000              0.1780000        
  4      0.2900000              0.2610000        
F   1
  1      0.0900000              1.0000000        
G   1
  1      0.3500000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Ba
data:
BARIUM
S   3
  1      5.7000000000          -0.52447767129    
  2      5.2043612469           0.70092354637    
  3      2.4053149919           0.87397541128    
S   1
  1      2.1451943914           1.0000000        
S   1
  1      0.41486174100          1.0000000        
S   1
  1      0.19214757016          1.0000000        
S   1
  1      0.48465890337E-01            1.0000000        
S   1
  1      0.20138298948E-01            1.0000000        
P   4
  1      5.5000000000           0.60831770069E-01      
  2      4.9017938336          -0.63284716561E-01      
  3      2.5715250637          -3.0800107636     
  4      2.6142685062           2.9079718598     
P   1
  1      0.47903394983          1.0000000        
P   1
  1      0.19415138747          1.0000000        
P   1
  1      0.34917622027E-01            1.0000000        
P   1
  1      0.16320065666E-01            1.0000000        
D   3
  1      0.96631500000         -0.38128634389    
  2      0.89382800000          0.46616787237    
  3      0.27319500000          0.34754521238    
D   1
  1      0.10389100000          1.0000000        
D   1
  1      0.35578000000E-01            1.0000000        
F   4
  1     10.0000000              0.0730000        
  2      3.2000000              0.2100000        
  3      1.0000000              0.3500000        
  4      0.3200000              0.3600000        
F   1
  1      0.1000000              1.0000000        
G   1
  1      0.5000000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Hf
data:
HAFNIUM
S   4
  1     24.000000000            0.22105582070    
  2     16.000000000           -3.5812539434     
  3     14.400000000            4.2538249256     
  4     10.304504667           -0.69586365081    
S   1
  1      3.7930173975           1.0000000        
S   1
  1      1.0189877143           1.0000000        
S   1
  1      0.45985511458          1.0000000        
S   1
  1      0.92752376673E-01            1.0000000        
S   1
  1      0.35718747396E-01            1.0000000        
P   3
  1     22.353629203           -0.74529620838E-02      
  2      8.7403508095           0.15635970402    
  3      4.8501567161          -0.44869151461    
P   1
  1      1.2573944258           1.0000000        
P   1
  1      0.61115481502          1.0000000        
P   1
  1      0.26740341018          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
D   4
  1      8.0559644562           0.96734715928E-02      
  2      4.3420511504          -0.54567079465E-01      
  3      1.1836909211           0.19687724953    
  4      0.51336795676          0.40004510632    
D   1
  1      0.20546727725          1.0000000        
D   1
  1      0.73669893882E-01            1.0000000        
F   1
  1      0.5310400              1.0000000        
F   1
  1      0.1653700              1.0000000        
G   1
  1      0.2903600              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Ta
data:
TANTALUM
S   4
  1     24.473650944            0.25035108815    
  2     18.721372549           -0.85456668089    
  3     11.500000000            3.5333106192     
  4     10.350000000           -2.7919577177     
S   1
  1      3.7793658231           1.0000000        
S   1
  1      1.1184570488           1.0000000        
S   1
  1      0.50385424438          1.0000000        
S   1
  1      0.10340974710          1.0000000        
S   1
  1      0.39154754640E-01            1.0000000        
P   3
  1     18.270714541           -0.68710552225E-01      
  2     10.055220364            0.51362842334    
  3      5.0278760583          -1.4890697965     
P   1
  1      1.2488904934           1.0000000        
P   1
  1      0.59456513937          1.0000000        
P   1
  1      0.26177351800          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
D   4
  1     15.346965667            0.33754239693E-02      
  2      3.9738796278          -0.66125480059E-01      
  3      1.4528884813           0.17923632276    
  4      0.61042908544          0.44087337990    
D   1
  1      0.23897314770          1.0000000        
D   1
  1      0.86779694938E-01            1.0000000        
F   1
  1      0.6706600              1.0000000        
F   1
  1      0.2103100              1.0000000        
G   1
  1      0.4016500              1.0000000        


name: dhf-TZVPP
description: N/A
elt: W
data:
TUNGSTEN
S   3
  1     30.000000000            0.33646094896    
  2     27.000000000           -0.47323259360    
  3     13.078045684            0.39654129081    
S   1
  1      4.4866821998           1.0000000        
S   1
  1      1.0676733497           1.0000000        
S   1
  1      0.49550863083          1.0000000        
S   1
  1      0.11256119066          1.0000000        
S   1
  1      0.41497932182E-01            1.0000000        
P   3
  1     18.604377714           -0.19980897234E-01      
  2     11.534117568            0.94830355989E-01      
  3      5.1586217658          -0.28992519848    
P   1
  1      1.3495269329           1.0000000        
P   1
  1      0.65032454901          1.0000000        
P   1
  1      0.28505684037          1.0000000        
P   1
  1      0.65000000000E-01            1.0000000        
D   4
  1      7.9566935938           0.19932954326E-01      
  2      4.9753774027          -0.80010753581E-01      
  3      1.3171445938           0.26394386420    
  4      0.57153508541          0.44246824709    
D   1
  1      0.23942399163          1.0000000        
D   1
  1      0.91746167038E-01            1.0000000        
F   1
  1      0.8082400              1.0000000        
F   1
  1      0.2552400              1.0000000        
G   1
  1      0.5129300              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Re
data:
RHENIUM
S   3
  1     30.000000000            0.32736959901    
  2     27.000000000           -0.46770504464    
  3     13.078045684            0.44300386653    
S   1
  1      4.7381866484           1.0000000        
S   1
  1      1.0979652393           1.0000000        
S   1
  1      0.50783195067          1.0000000        
S   1
  1      0.12110370400          1.0000000        
S   1
  1      0.43982739576E-01            1.0000000        
P   3
  1     18.000000000           -0.26125487417E-01      
  2     12.318606250            0.98014768659E-01      
  3      5.3719234505          -0.30094548401    
P   1
  1      1.3583884199           1.0000000        
P   1
  1      0.64649515864          1.0000000        
P   1
  1      0.28522146104          1.0000000        
P   1
  1      0.70000000000E-01            1.0000000        
D   4
  1      8.2382690889           0.23870789207E-01      
  2      5.5663143610          -0.75864095756E-01      
  3      1.3871105497           0.27418289344    
  4      0.62324027854          0.44465089921    
D   1
  1      0.26584392576          1.0000000        
D   1
  1      0.10334100901          1.0000000        
F   1
  1      0.9438600              1.0000000        
F   1
  1      0.3001800              1.0000000        
G   1
  1      0.6242200              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Os
data:
OSMIUM
S   3
  1     30.000000000            0.33141866297    
  2     27.000000000           -0.48200100744    
  3     13.524730005            0.46488084495    
S   1
  1      4.9499564865           1.0000000        
S   1
  1      1.1513700273           1.0000000        
S   1
  1      0.53139802369          1.0000000        
S   1
  1      0.13011178043          1.0000000        
S   1
  1      0.46817470581E-01            1.0000000        
P   3
  1     18.505166000            0.26098871187E-01      
  2     12.784506964           -0.10138659502    
  3      5.5458290420           0.33424024154    
P   1
  1      1.4290955836           1.0000000        
P   1
  1      0.67620099294          1.0000000        
P   1
  1      0.29078367898          1.0000000        
P   1
  1      0.52000000000E-01            1.0000000        
D   4
  1      8.2945059487           0.76753750464E-01      
  2      6.3060397430          -0.17425532033    
  3      1.4890109110           0.55170115614    
  4      0.67315390607          0.88656469017    
D   1
  1      0.28539893892          1.0000000        
D   1
  1      0.11021318859          1.0000000        
F   1
  1      1.0672900              1.0000000        
F   1
  1      0.3422200              1.0000000        
G   1
  1      0.7548900              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Ir
data:
IRIDIUM
S   3
  1     30.000000000            0.31200447363    
  2     27.000000000           -0.46456771410    
  3     13.961973911            0.46858576256    
S   1
  1      5.1540551357           1.0000000        
S   1
  1      1.2159100117           1.0000000        
S   1
  1      0.56020154365          1.0000000        
S   1
  1      0.13865602591          1.0000000        
S   1
  1      0.49486178090E-01            1.0000000        
P   3
  1     30.895152000           -0.61444524648E-02      
  2     11.397688000            0.16084036063    
  3      5.8657638761          -0.61059993342    
P   1
  1      1.5022395985           1.0000000        
P   1
  1      0.71375872878          1.0000000        
P   1
  1      0.30778942275          1.0000000        
P   1
  1      0.56000000000E-01            1.0000000        
D   4
  1     10.091474036            0.15157882873E-01      
  2      6.2257771610          -0.64560142244E-01      
  3      1.5808379663           0.29126033930    
  4      0.71827834905          0.44274933861    
D   1
  1      0.30863178248          1.0000000        
D   1
  1      0.11970185848          1.0000000        
F   1
  1      1.1885700              1.0000000        
F   1
  1      0.3842600              1.0000000        
G   1
  1      0.8855600              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Pt
data:
PLATINUM
S   3
  1     30.000000000            0.27425994299    
  2     27.000000000           -0.42037214898    
  3     14.408318564            0.44313561549    
S   1
  1      5.3630116599           1.0000000        
S   1
  1      1.2905323095           1.0000000        
S   1
  1      0.58662989948          1.0000000        
S   1
  1      0.13790102055          1.0000000        
S   1
  1      0.49321911358E-01            1.0000000        
P   3
  1     24.973417000           -0.34341197521E-02      
  2     12.162265685            0.49482463995E-01      
  3      6.1161212339          -0.18543134640    
P   1
  1      1.5737435708           1.0000000        
P   1
  1      0.74365838375          1.0000000        
P   1
  1      0.31942317854          1.0000000        
P   1
  1      0.57000000000E-01            1.0000000        
D   4
  1     10.178295702            0.17335728527E-01      
  2      6.6286436520          -0.63950014994E-01      
  3      1.6570410639           0.30095098211    
  4      0.73943569960          0.44582511233    
D   1
  1      0.30537179836          1.0000000        
D   1
  1      0.11345495014          1.0000000        
F   1
  1      1.3077100              1.0000000        
F   1
  1      0.4263000              1.0000000        
G   1
  1      1.0162300              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Au
data:
GOLD
S   3
  1     30.000000000            0.20199617249    
  2     27.000000000           -0.32928957373    
  3     14.746824331            0.40585528600    
S   1
  1      5.6091587912           1.0000000        
S   1
  1      1.3643634132           1.0000000        
S   1
  1      0.61656895887          1.0000000        
S   1
  1      0.13995954313          1.0000000        
S   1
  1      0.49334580278E-01            1.0000000        
P   3
  1     24.708233346           -0.61870876857E-02      
  2     12.351765722            0.86828980159E-01      
  3      6.4227368205          -0.30464846393    
P   1
  1      1.6582165111           1.0000000        
P   1
  1      0.78113181540          1.0000000        
P   1
  1      0.33105069878          1.0000000        
P   1
  1      0.45000000000E-01            1.0000000        
D   4
  1     10.620604032            0.20561850202E-01      
  2      7.0985987156          -0.69876065811E-01      
  3      1.7746496789           0.30533062224    
  4      0.79960541055          0.44810704955    
D   1
  1      0.33293576596          1.0000000        
D   1
  1      0.12447224161          1.0000000        
F   1
  1      1.4246900              1.0000000        
F   1
  1      0.4683400              1.0000000        
G   1
  1      1.1469000              1.0000000        


name: dhf-TZVPP
description: N/A
elt: Hg
data:
MERCURY
S   3
  1     48.013786990            0.58613168385E-02      
  2     21.239875095           -0.17590367988    
  3     15.876100879            0.35780354753    
S   1
  1      5.4837607070           1.0000000        
S   1
  1      1.5480592128           1.0000000        
S   1
  1      0.72425230437          1.0000000        
S   1
  1      0.16369906863          1.0000000        
S   1
  1      0.57211615334E-01            1.0000000        
P   3
  1     23.291760168           -0.83564430982E-02      
  2     13.028969569            0.83703058587E-01      
  3      6.5100040792          -0.31023833705    
P   1
  1      1.8167935815           1.0000000        
P   1
  1      0.90079391013          1.0000000        
P   1
  1      0.41304090835          1.0000000        
P   1
  1      0.11845879331          1.0000000        
P   1
  1      0.36084184656E-01            1.0000000        
D   4
  1     15.176302343            0.60654575178E-02      
  2      6.7004896493          -0.59880306300E-01      
  3      1.9144256118           0.31411145584    
  4      0.88641552102          0.45081091161    
D   1
  1      0.38364767725          1.0000000        
D   1
  1      0.14936891490          1.0000000        
F   1
  1      1.5521700              1.0000000        
F   1
  1      0.5243100              1.0000000        
G   1
  1      1.2895000              1.0000000        


name: jareds cc-pVDZ
description: N/A
elt: C
data:
CARBON
S   8
  1   6665.0000000              0.0006920        
  2   1000.0000000              0.0053290        
  3    228.0000000              0.0270770        
  4     64.7100000              0.1017180        
  5     21.0600000              0.2747400        
  6      7.4950000              0.4485640        
  7      2.7970000              0.2850740        
  8      0.5215000              0.0152040        
S   8
  1   6665.0000000             -0.0001460        
  2   1000.0000000             -0.0011540        
  3    228.0000000             -0.0057250        
  4     64.7100000             -0.0233120        
  5     21.0600000             -0.0639550        
  6      7.4950000             -0.1499810        
  7      2.7970000             -0.1272620        
  8      0.5215000              0.5445290        
S   1
  1      0.1596000              1.0000000        
P   3
  1      9.4390000              0.0381090        
  2      2.0020000              0.2094800        
  3      0.5456000              0.5085570        
P   1
  1      0.1517000              1.0000000        
D   1
  1      0.5500000              1.0000000        


name: jul-cc-pV(D+d)Z
description: jul-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: Al
data:
ALUMINUM
S   11
  1  64150.0000000              0.290250D-03     
  2   9617.0000000              0.225064D-02     
  3   2189.0000000              0.116459D-01     
  4    620.5000000              0.467377D-01     
  5    202.7000000              0.146299D+00     
  6     73.1500000              0.330283D+00     
  7     28.5500000              0.415861D+00     
  8     11.7700000              0.189253D+00     
  9      3.3000000              0.115889D-01     
 10      1.1730000             -0.128385D-02     
 11      0.1752000              0.425883D-03     
S   11
  1  64150.0000000             -0.758048D-04     
  2   9617.0000000             -0.581791D-03     
  3   2189.0000000             -0.308113D-02     
  4    620.5000000             -0.123112D-01     
  5    202.7000000             -0.419781D-01     
  6     73.1500000             -0.103371D+00     
  7     28.5500000             -0.196308D+00     
  8     11.7700000             -0.830002D-01     
  9      3.3000000              0.541040D+00     
 10      1.1730000              0.578796D+00     
 11      0.1752000              0.288147D-01     
S   11
  1  64150.0000000              0.175078D-04     
  2   9617.0000000              0.134208D-03     
  3   2189.0000000              0.712442D-03     
  4    620.5000000              0.284330D-02     
  5    202.7000000              0.976842D-02     
  6     73.1500000              0.241850D-01     
  7     28.5500000              0.474993D-01     
  8     11.7700000              0.203621D-01     
  9      3.3000000             -0.158788D+00     
 10      1.1730000             -0.311694D+00     
 11      0.1752000              0.620147D+00     
S   1
  1      0.0647300              1.0000000        
S   1
  1      0.0231000              1.0000000        
P   7
  1    258.8000000              0.406847D-02     
  2     60.8900000              0.306815D-01     
  3     19.1400000              0.129149D+00     
  4      6.8810000              0.320831D+00     
  5      2.5740000              0.453815D+00     
  6      0.9572000              0.275066D+00     
  7      0.2099000              0.190807D-01     
P   7
  1    258.8000000             -0.748053D-03     
  2     60.8900000             -0.545796D-02     
  3     19.1400000             -0.245371D-01     
  4      6.8810000             -0.582138D-01     
  5      2.5740000             -0.983756D-01     
  6      0.9572000             -0.260064D-01     
  7      0.2099000              0.464020D+00     
P   1
  1      0.0598600              1.0000000        
P   1
  1      0.0153000              1.0000000        
D   1
  1      1.1950000              1.0000000        
D   1
  1      0.1900000              1.0000000        
D   1
  1      0.0552000              1.0000000        


name: jul-cc-pV(Q+d)Z
description: jul-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: Al
data:
ALUMINUM
S   13
  1 419600.0000000              0.278219D-04     
  2  62830.0000000              0.216330D-03     
  3  14290.0000000              0.113754D-02     
  4   4038.0000000              0.479635D-02     
  5   1312.0000000              0.172389D-01     
  6    470.5000000              0.538066D-01     
  7    181.8000000              0.141326D+00     
  8     74.4600000              0.289268D+00     
  9     31.9000000              0.384825D+00     
 10     13.9600000              0.232852D+00     
 11      5.1800000              0.293330D-01     
 12      2.2650000             -0.300574D-02     
 13      0.9664000              0.166673D-02     
S   13
  1 419600.0000000             -0.723754D-05     
  2  62830.0000000             -0.561733D-04     
  3  14290.0000000             -0.296528D-03     
  4   4038.0000000             -0.124913D-02     
  5   1312.0000000             -0.455101D-02     
  6    470.5000000             -0.144393D-01     
  7    181.8000000             -0.403464D-01     
  8     74.4600000             -0.922618D-01     
  9     31.9000000             -0.164510D+00     
 10     13.9600000             -0.141296D+00     
 11      5.1800000              0.195365D+00     
 12      2.2650000              0.572475D+00     
 13      0.9664000              0.374041D+00     
S   13
  1 419600.0000000              0.167150D-05     
  2  62830.0000000              0.129641D-04     
  3  14290.0000000              0.685101D-04     
  4   4038.0000000              0.288274D-03     
  5   1312.0000000              0.105276D-02     
  6    470.5000000              0.333878D-02     
  7    181.8000000              0.939217D-02     
  8     74.4600000              0.216047D-01     
  9     31.9000000              0.395873D-01     
 10     13.9600000              0.349180D-01     
 11      5.1800000             -0.528415D-01     
 12      2.2650000             -0.191878D+00     
 13      0.9664000             -0.254115D+00     
S   1
  1      0.2447000              1.0000000        
S   1
  1      0.1184000              1.0000000        
S   1
  1      0.0502100              1.0000000        
S   1
  1      0.0183000              1.0000000        
P   8
  1    891.3000000              0.491755D-03     
  2    211.3000000              0.415843D-02     
  3     68.2800000              0.212538D-01     
  4     25.7000000              0.764058D-01     
  5     10.6300000              0.194277D+00     
  6      4.6020000              0.334428D+00     
  7      2.0150000              0.375026D+00     
  8      0.8706000              0.204041D+00     
P   8
  1    891.3000000             -0.888695D-04     
  2    211.3000000             -0.745823D-03     
  3     68.2800000             -0.387025D-02     
  4     25.7000000             -0.139350D-01     
  5     10.6300000             -0.366860D-01     
  6      4.6020000             -0.627797D-01     
  7      2.0150000             -0.789602D-01     
  8      0.8706000             -0.288589D-01     
P   1
  1      0.2972000              1.0000000        
P   1
  1      0.1100000              1.0000000        
P   1
  1      0.0398900              1.0000000        
P   1
  1      0.0121000              1.0000000        
D   1
  1      1.9700000              1.0000000        
D   1
  1      0.4370000              1.0000000        
D   1
  1      0.1950000              1.0000000        
D   1
  1      0.0800000              1.0000000        
D   1
  1      0.0274000              1.0000000        
F   1
  1      0.1540000              1.0000000        
F   1
  1      0.4010000              1.0000000        
F   1
  1      0.0582000              1.0000000        
G   1
  1      0.3570000              1.0000000        
G   1
  1      0.1530000              1.0000000        


name: jul-cc-pV(T+d)Z
description: jul-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers
elt: Al
data:
ALUMINUM
S   13
  1 205500.0000000              0.678836D-04     
  2  30780.0000000              0.527149D-03     
  3   7006.0000000              0.276203D-02     
  4   1985.0000000              0.114728D-01     
  5    649.1000000              0.398188D-01     
  6    235.0000000              0.115040D+00     
  7     91.6200000              0.260887D+00     
  8     37.6700000              0.396386D+00     
  9     15.9100000              0.284597D+00     
 10      5.8500000              0.444583D-01     
 11      2.5420000             -0.489838D-02     
 12      1.0570000              0.261253D-02     
 13      0.1455000              0.722068D-03     
S   13
  1 205500.0000000             -0.176377D-04     
  2  30780.0000000             -0.137195D-03     
  3   7006.0000000             -0.718910D-03     
  4   1985.0000000             -0.301146D-02     
  5    649.1000000             -0.106014D-01     
  6    235.0000000             -0.321345D-01     
  7     91.6200000             -0.803156D-01     
  8     37.6700000             -0.156794D+00     
  9     15.9100000             -0.168376D+00     
 10      5.8500000              0.126879D+00     
 11      2.5420000              0.561494D+00     
 12      1.0570000              0.436613D+00     
 13      0.1455000             -0.114563D-01     
S   13
  1 205500.0000000              0.407315D-05     
  2  30780.0000000              0.316566D-04     
  3   7006.0000000              0.166116D-03     
  4   1985.0000000              0.694992D-03     
  5    649.1000000              0.245511D-02     
  6    235.0000000              0.744598D-02     
  7     91.6200000              0.188253D-01     
  8     37.6700000              0.372772D-01     
  9     15.9100000              0.419496D-01     
 10      5.8500000             -0.354375D-01     
 11      2.5420000             -0.175132D+00     
 12      1.0570000             -0.276203D+00     
 13      0.1455000              0.652809D+00     
S   1
  1      0.2931000              1.0000000        
S   1
  1      0.0565000              1.0000000        
S   1
  1      0.0221000              1.0000000        
P   7
  1    444.4000000              0.162786D-02     
  2    105.1000000              0.130687D-01     
  3     33.4700000              0.612341D-01     
  4     12.3300000              0.187870D+00     
  5      4.8690000              0.360452D+00     
  6      1.9610000              0.408454D+00     
  7      0.1888000              0.976514D-02     
P   7
  1    444.4000000             -0.286341D-03     
  2    105.1000000             -0.242308D-02     
  3     33.4700000             -0.108658D-01     
  4     12.3300000             -0.364307D-01     
  5      4.8690000             -0.641074D-01     
  6      1.9610000             -0.972239D-01     
  7      0.1888000              0.503448D+00     
P   1
  1      0.7834000              1.0000000        
P   1
  1      0.0555700              1.0000000        
P   1
  1      0.0146000              1.0000000        
D   1
  1      1.5700000              1.0000000        
D   1
  1      0.3330000              1.0000000        
D   1
  1      0.1110000              1.0000000        
D   1
  1      0.0357000              1.0000000        
F   1
  1      0.2440000              1.0000000        
F   1
  1      0.0858000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: Li
data:
LITHIUM
S   8
  1   1469.0000000              0.0007660        
  2    220.5000000              0.0058920        
  3     50.2600000              0.0296710        
  4     14.2400000              0.1091800        
  5      4.5810000              0.2827890        
  6      1.5800000              0.4531230        
  7      0.5640000              0.2747740        
  8      0.0734500              0.0097510        
S   8
  1   1469.0000000             -0.0001200        
  2    220.5000000             -0.0009230        
  3     50.2600000             -0.0046890        
  4     14.2400000             -0.0176820        
  5      4.5810000             -0.0489020        
  6      1.5800000             -0.0960090        
  7      0.5640000             -0.1363800        
  8      0.0734500              0.5751020        
S   1
  1      0.0280500              1.0000000        
S   1
  1      0.0086400              1.0000000        
P   3
  1      1.5340000              0.0227840        
  2      0.2749000              0.1391070        
  3      0.0736200              0.5003750        
P   1
  1      0.0240300              1.0000000        
P   1
  1      0.0057900              1.0000000        
D   1
  1      0.1239000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: Be
data:
BERYLLIUM
S   8
  1   2940.0000000              0.0006800        
  2    441.2000000              0.0052360        
  3    100.5000000              0.0266060        
  4     28.4300000              0.0999930        
  5      9.1690000              0.2697020        
  6      3.1960000              0.4514690        
  7      1.1590000              0.2950740        
  8      0.1811000              0.0125870        
S   8
  1   2940.0000000             -0.0001230        
  2    441.2000000             -0.0009660        
  3    100.5000000             -0.0048310        
  4     28.4300000             -0.0193140        
  5      9.1690000             -0.0532800        
  6      3.1960000             -0.1207230        
  7      1.1590000             -0.1334350        
  8      0.1811000              0.5307670        
S   1
  1      0.0589000              1.0000000        
S   1
  1      0.0187700              1.0000000        
P   3
  1      3.6190000              0.0291110        
  2      0.7110000              0.1693650        
  3      0.1951000              0.5134580        
P   1
  1      0.0601800              1.0000000        
P   1
  1      0.0085000              1.0000000        
D   1
  1      0.2380000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: B
data:
BORON
S   8
  1   4570.0000000              0.0006960        
  2    685.9000000              0.0053530        
  3    156.5000000              0.0271340        
  4     44.4700000              0.1013800        
  5     14.4800000              0.2720550        
  6      5.1310000              0.4484030        
  7      1.8980000              0.2901230        
  8      0.3329000              0.0143220        
S   8
  1   4570.0000000             -0.0001390        
  2    685.9000000             -0.0010970        
  3    156.5000000             -0.0054440        
  4     44.4700000             -0.0219160        
  5     14.4800000             -0.0597510        
  6      5.1310000             -0.1387320        
  7      1.8980000             -0.1314820        
  8      0.3329000              0.5395260        
S   1
  1      0.1043000              1.0000000        
S   1
  1      0.0310500              1.0000000        
P   3
  1      6.0010000              0.0354810        
  2      1.2410000              0.1980720        
  3      0.3364000              0.5052300        
P   1
  1      0.0953800              1.0000000        
P   1
  1      0.0237800              1.0000000        
D   1
  1      0.3430000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: C
data:
CARBON
S   8
  1   6665.0000000              0.0006920        
  2   1000.0000000              0.0053290        
  3    228.0000000              0.0270770        
  4     64.7100000              0.1017180        
  5     21.0600000              0.2747400        
  6      7.4950000              0.4485640        
  7      2.7970000              0.2850740        
  8      0.5215000              0.0152040        
S   8
  1   6665.0000000             -0.0001460        
  2   1000.0000000             -0.0011540        
  3    228.0000000             -0.0057250        
  4     64.7100000             -0.0233120        
  5     21.0600000             -0.0639550        
  6      7.4950000             -0.1499810        
  7      2.7970000             -0.1272620        
  8      0.5215000              0.5445290        
S   1
  1      0.1596000              1.0000000        
S   1
  1      0.0469000              1.0000000        
P   3
  1      9.4390000              0.0381090        
  2      2.0020000              0.2094800        
  3      0.5456000              0.5085570        
P   1
  1      0.1517000              1.0000000        
P   1
  1      0.0404100              1.0000000        
D   1
  1      0.5500000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: N
data:
NITROGEN
S   8
  1   9046.0000000              0.0007000        
  2   1357.0000000              0.0053890        
  3    309.3000000              0.0274060        
  4     87.7300000              0.1032070        
  5     28.5600000              0.2787230        
  6     10.2100000              0.4485400        
  7      3.8380000              0.2782380        
  8      0.7466000              0.0154400        
S   8
  1   9046.0000000             -0.0001530        
  2   1357.0000000             -0.0012080        
  3    309.3000000             -0.0059920        
  4     87.7300000             -0.0245440        
  5     28.5600000             -0.0674590        
  6     10.2100000             -0.1580780        
  7      3.8380000             -0.1218310        
  8      0.7466000              0.5490030        
S   1
  1      0.2248000              1.0000000        
S   1
  1      0.0612400              1.0000000        
P   3
  1     13.5500000              0.0399190        
  2      2.9170000              0.2171690        
  3      0.7973000              0.5103190        
P   1
  1      0.2185000              1.0000000        
P   1
  1      0.0561100              1.0000000        
D   1
  1      0.8170000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: O
data:
OXYGEN
S   8
  1  11720.0000000              0.0007100        
  2   1759.0000000              0.0054700        
  3    400.8000000              0.0278370        
  4    113.7000000              0.1048000        
  5     37.0300000              0.2830620        
  6     13.2700000              0.4487190        
  7      5.0250000              0.2709520        
  8      1.0130000              0.0154580        
S   8
  1  11720.0000000             -0.0001600        
  2   1759.0000000             -0.0012630        
  3    400.8000000             -0.0062670        
  4    113.7000000             -0.0257160        
  5     37.0300000             -0.0709240        
  6     13.2700000             -0.1654110        
  7      5.0250000             -0.1169550        
  8      1.0130000              0.5573680        
S   1
  1      0.3023000              1.0000000        
S   1
  1      0.0789600              1.0000000        
P   3
  1     17.7000000              0.0430180        
  2      3.8540000              0.2289130        
  3      1.0460000              0.5087280        
P   1
  1      0.2753000              1.0000000        
P   1
  1      0.0685600              1.0000000        
D   1
  1      1.1850000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: F
data:
FLUORINE
S   8
  1  14710.0000000              0.0007210        
  2   2207.0000000              0.0055530        
  3    502.8000000              0.0282670        
  4    142.6000000              0.1064440        
  5     46.4700000              0.2868140        
  6     16.7000000              0.4486410        
  7      6.3560000              0.2647610        
  8      1.3160000              0.0153330        
S   8
  1  14710.0000000             -0.0001650        
  2   2207.0000000             -0.0013080        
  3    502.8000000             -0.0064950        
  4    142.6000000             -0.0266910        
  5     46.4700000             -0.0736900        
  6     16.7000000             -0.1707760        
  7      6.3560000             -0.1123270        
  8      1.3160000              0.5628140        
S   1
  1      0.3897000              1.0000000        
S   1
  1      0.0986300              1.0000000        
P   3
  1     22.6700000              0.0448780        
  2      4.9770000              0.2357180        
  3      1.3470000              0.5085210        
P   1
  1      0.3471000              1.0000000        
P   1
  1      0.0850200              1.0000000        
D   1
  1      1.6400000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: Ne
data:
NEON
S   8
  1  17880.0000000              0.0007380        
  2   2683.0000000              0.0056770        
  3    611.5000000              0.0288830        
  4    173.5000000              0.1085400        
  5     56.6400000              0.2909070        
  6     20.4200000              0.4483240        
  7      7.8100000              0.2580260        
  8      1.6530000              0.0150630        
S   8
  1  17880.0000000             -0.0001720        
  2   2683.0000000             -0.0013570        
  3    611.5000000             -0.0067370        
  4    173.5000000             -0.0276630        
  5     56.6400000             -0.0762080        
  6     20.4200000             -0.1752270        
  7      7.8100000             -0.1070380        
  8      1.6530000              0.5670500        
S   1
  1      0.4869000              1.0000000        
S   1
  1      0.1230000              1.0000000        
P   3
  1     28.3900000              0.0460870        
  2      6.2700000              0.2401810        
  3      1.6950000              0.5087440        
P   1
  1      0.4317000              1.0000000        
P   1
  1      0.1064000              1.0000000        
D   1
  1      2.2020000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: Na
data:
SODIUM
S   11
  1  31700.0000000              0.458878D-03     
  2   4755.0000000              0.355070D-02     
  3   1082.0000000              0.182618D-01     
  4    306.4000000              0.716650D-01     
  5     99.5300000              0.212346D+00     
  6     35.4200000              0.416203D+00     
  7     13.3000000              0.373020D+00     
  8      4.3920000              0.625054D-01     
  9      1.6760000             -0.624532D-02     
 10      0.5889000              0.243374D-02     
 11      0.0564000             -0.442381D-03     
S   11
  1  31700.0000000             -0.112162D-03     
  2   4755.0000000             -0.868512D-03     
  3   1082.0000000             -0.451330D-02     
  4    306.4000000             -0.181436D-01     
  5     99.5300000             -0.580799D-01     
  6     35.4200000             -0.137653D+00     
  7     13.3000000             -0.193908D+00     
  8      4.3920000              0.858009D-01     
  9      1.6760000              0.604419D+00     
 10      0.5889000              0.441719D+00     
 11      0.0564000              0.130547D-01     
S   11
  1  31700.0000000              0.170160D-04     
  2   4755.0000000              0.130693D-03     
  3   1082.0000000              0.687784D-03     
  4    306.4000000              0.272359D-02     
  5     99.5300000              0.895529D-02     
  6     35.4200000              0.207832D-01     
  7     13.3000000              0.319380D-01     
  8      4.3920000             -0.191368D-01     
  9      1.6760000             -0.102595D+00     
 10      0.5889000             -0.198945D+00     
 11      0.0564000              0.655952D+00     
S   1
  1      0.0230700              1.0000000        
S   1
  1      0.0072500              1.0000000        
P   7
  1    138.1000000              0.579641D-02     
  2     32.2400000              0.415756D-01     
  3      9.9850000              0.162873D+00     
  4      3.4840000              0.359401D+00     
  5      1.2310000              0.449988D+00     
  6      0.4177000              0.227507D+00     
  7      0.0651300              0.808247D-02     
P   7
  1    138.1000000             -0.581531D-03     
  2     32.2400000             -0.407306D-02     
  3      9.9850000             -0.167937D-01     
  4      3.4840000             -0.353268D-01     
  5      1.2310000             -0.521971D-01     
  6      0.4177000             -0.168359D-01     
  7      0.0651300              0.434613D+00     
P   1
  1      0.0205300              1.0000000        
P   1
  1      0.0063300              1.0000000        
D   1
  1      0.0973000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: Mg
data:
MAGNESIUM
S   11
  1  47390.0000000              0.346023D-03     
  2   7108.0000000              0.268077D-02     
  3   1618.0000000              0.138367D-01     
  4    458.4000000              0.551767D-01     
  5    149.3000000              0.169660D+00     
  6     53.5900000              0.364703D+00     
  7     20.7000000              0.406856D+00     
  8      8.3840000              0.135089D+00     
  9      2.5420000              0.490884D-02     
 10      0.8787000              0.286460D-03     
 11      0.1077000              0.264590D-04     
S   11
  1  47390.0000000             -0.877839D-04     
  2   7108.0000000             -0.674725D-03     
  3   1618.0000000             -0.355603D-02     
  4    458.4000000             -0.142154D-01     
  5    149.3000000             -0.476748D-01     
  6     53.5900000             -0.114892D+00     
  7     20.7000000             -0.200676D+00     
  8      8.3840000             -0.341224D-01     
  9      2.5420000              0.570454D+00     
 10      0.8787000              0.542309D+00     
 11      0.1077000              0.218128D-01     
S   11
  1  47390.0000000              0.169628D-04     
  2   7108.0000000              0.129865D-03     
  3   1618.0000000              0.688831D-03     
  4    458.4000000              0.273533D-02     
  5    149.3000000              0.931224D-02     
  6     53.5900000              0.223265D-01     
  7     20.7000000              0.411195D-01     
  8      8.3840000              0.545642D-02     
  9      2.5420000             -0.134012D+00     
 10      0.8787000             -0.256176D+00     
 11      0.1077000              0.605856D+00     
S   1
  1      0.0399900              1.0000000        
S   1
  1      0.0148800              1.0000000        
P   7
  1    179.9000000              0.538161D-02     
  2     42.1400000              0.392418D-01     
  3     13.1300000              0.157445D+00     
  4      4.6280000              0.358535D+00     
  5      1.6700000              0.457226D+00     
  6      0.5857000              0.215918D+00     
  7      0.1311000              0.664948D-02     
P   7
  1    179.9000000             -0.865948D-03     
  2     42.1400000             -0.615978D-02     
  3     13.1300000             -0.261519D-01     
  4      4.6280000             -0.570647D-01     
  5      1.6700000             -0.873906D-01     
  6      0.5857000             -0.122990D-01     
  7      0.1311000              0.502085D+00     
P   1
  1      0.0411200              1.0000000        
P   1
  1      0.0093500              1.0000000        
D   1
  1      0.1870000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: Al
data:
ALUMINUM
S   11
  1  64150.0000000              0.290250D-03     
  2   9617.0000000              0.225064D-02     
  3   2189.0000000              0.116459D-01     
  4    620.5000000              0.467377D-01     
  5    202.7000000              0.146299D+00     
  6     73.1500000              0.330283D+00     
  7     28.5500000              0.415861D+00     
  8     11.7700000              0.189253D+00     
  9      3.3000000              0.115889D-01     
 10      1.1730000             -0.128385D-02     
 11      0.1752000              0.425883D-03     
S   11
  1  64150.0000000             -0.758048D-04     
  2   9617.0000000             -0.581791D-03     
  3   2189.0000000             -0.308113D-02     
  4    620.5000000             -0.123112D-01     
  5    202.7000000             -0.419781D-01     
  6     73.1500000             -0.103371D+00     
  7     28.5500000             -0.196308D+00     
  8     11.7700000             -0.830002D-01     
  9      3.3000000              0.541040D+00     
 10      1.1730000              0.578796D+00     
 11      0.1752000              0.288147D-01     
S   11
  1  64150.0000000              0.175078D-04     
  2   9617.0000000              0.134208D-03     
  3   2189.0000000              0.712442D-03     
  4    620.5000000              0.284330D-02     
  5    202.7000000              0.976842D-02     
  6     73.1500000              0.241850D-01     
  7     28.5500000              0.474993D-01     
  8     11.7700000              0.203621D-01     
  9      3.3000000             -0.158788D+00     
 10      1.1730000             -0.311694D+00     
 11      0.1752000              0.620147D+00     
S   1
  1      0.0647300              1.0000000        
S   1
  1      0.0231000              1.0000000        
P   7
  1    258.8000000              0.406847D-02     
  2     60.8900000              0.306815D-01     
  3     19.1400000              0.129149D+00     
  4      6.8810000              0.320831D+00     
  5      2.5740000              0.453815D+00     
  6      0.9572000              0.275066D+00     
  7      0.2099000              0.190807D-01     
P   7
  1    258.8000000             -0.748053D-03     
  2     60.8900000             -0.545796D-02     
  3     19.1400000             -0.245371D-01     
  4      6.8810000             -0.582138D-01     
  5      2.5740000             -0.983756D-01     
  6      0.9572000             -0.260064D-01     
  7      0.2099000              0.464020D+00     
P   1
  1      0.0598600              1.0000000        
P   1
  1      0.0153000              1.0000000        
D   1
  1      1.1950000              1.0000000        
D   1
  1      0.1900000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: Si
data:
SILICON
S   11
  1  78860.0000000              0.270443D-03     
  2  11820.0000000              0.209717D-02     
  3   2692.0000000              0.108506D-01     
  4    763.4000000              0.436754D-01     
  5    249.6000000              0.137653D+00     
  6     90.2800000              0.316644D+00     
  7     35.2900000              0.418581D+00     
  8     14.5100000              0.210212D+00     
  9      4.0530000              0.144952D-01     
 10      1.4820000             -0.203590D-02     
 11      0.2517000              0.624186D-03     
S   11
  1  78860.0000000             -0.723177D-04     
  2  11820.0000000             -0.555116D-03     
  3   2692.0000000             -0.293805D-02     
  4    763.4000000             -0.117687D-01     
  5    249.6000000             -0.402907D-01     
  6     90.2800000             -0.100609D+00     
  7     35.2900000             -0.196528D+00     
  8     14.5100000             -0.102382D+00     
  9      4.0530000              0.527190D+00     
 10      1.4820000              0.593251D+00     
 11      0.2517000              0.332652D-01     
S   11
  1  78860.0000000              0.185113D-04     
  2  11820.0000000              0.142236D-03     
  3   2692.0000000              0.752185D-03     
  4    763.4000000              0.302279D-02     
  5    249.6000000              0.103677D-01     
  6     90.2800000              0.262563D-01     
  7     35.2900000              0.523989D-01     
  8     14.5100000              0.290959D-01     
  9      4.0530000             -0.178003D+00     
 10      1.4820000             -0.346874D+00     
 11      0.2517000              0.623020D+00     
S   1
  1      0.0924300              1.0000000        
S   1
  1      0.0332000              1.0000000        
P   7
  1    315.9000000              0.392656D-02     
  2     74.4200000              0.298811D-01     
  3     23.4800000              0.127212D+00     
  4      8.4880000              0.320943D+00     
  5      3.2170000              0.455429D+00     
  6      1.2290000              0.268563D+00     
  7      0.2964000              0.188336D-01     
P   7
  1    315.9000000             -0.858302D-03     
  2     74.4200000             -0.630328D-02     
  3     23.4800000             -0.288255D-01     
  4      8.4880000             -0.694560D-01     
  5      3.2170000             -0.119493D+00     
  6      1.2290000             -0.199581D-01     
  7      0.2964000              0.510268D+00     
P   1
  1      0.0876800              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   1
  1      1.8030000              1.0000000        
D   1
  1      0.2750000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: P
data:
PHOSPHOROUS
S   11
  1  94840.0000000              0.255509D-03     
  2  14220.0000000              0.198193D-02     
  3   3236.0000000              0.102760D-01     
  4    917.1000000              0.414823D-01     
  5    299.5000000              0.131984D+00     
  6    108.1000000              0.308662D+00     
  7     42.1800000              0.420647D+00     
  8     17.2800000              0.222878D+00     
  9      4.8580000              0.164035D-01     
 10      1.8180000             -0.254255D-02     
 11      0.3372000              0.748050D-03     
S   11
  1  94840.0000000             -0.696939D-04     
  2  14220.0000000             -0.535266D-03     
  3   3236.0000000             -0.283709D-02     
  4    917.1000000             -0.113983D-01     
  5    299.5000000             -0.392929D-01     
  6    108.1000000             -0.996364D-01     
  7     42.1800000             -0.197983D+00     
  8     17.2800000             -0.114860D+00     
  9      4.8580000              0.518595D+00     
 10      1.8180000              0.601847D+00     
 11      0.3372000              0.368612D-01     
S   11
  1  94840.0000000              0.191199D-04     
  2  14220.0000000              0.147223D-03     
  3   3236.0000000              0.777912D-03     
  4    917.1000000              0.314546D-02     
  5    299.5000000              0.108200D-01     
  6    108.1000000              0.279957D-01     
  7     42.1800000              0.563978D-01     
  8     17.2800000              0.358190D-01     
  9      4.8580000             -0.193387D+00     
 10      1.8180000             -0.372097D+00     
 11      0.3372000              0.624246D+00     
S   1
  1      0.1232000              1.0000000        
S   1
  1      0.0417000              1.0000000        
P   7
  1    370.5000000              0.395005D-02     
  2     87.3300000              0.302492D-01     
  3     27.5900000              0.129554D+00     
  4     10.0000000              0.327594D+00     
  5      3.8250000              0.456992D+00     
  6      1.4940000              0.253086D+00     
  7      0.3921000              0.168798D-01     
P   7
  1    370.5000000             -0.959832D-03     
  2     87.3300000             -0.711177D-02     
  3     27.5900000             -0.327122D-01     
  4     10.0000000             -0.795784D-01     
  5      3.8250000             -0.135016D+00     
  6      1.4940000             -0.910585D-02     
  7      0.3921000              0.537802D+00     
P   1
  1      0.1186000              1.0000000        
P   1
  1      0.0343000              1.0000000        
D   1
  1      2.5060000              1.0000000        
D   1
  1      0.3740000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: S
data:
SULFUR
S   11
  1 110800.0000000              0.247635D-03     
  2  16610.0000000              0.192026D-02     
  3   3781.0000000              0.996192D-02     
  4   1071.0000000              0.402975D-01     
  5    349.8000000              0.128604D+00     
  6    126.3000000              0.303480D+00     
  7     49.2600000              0.421432D+00     
  8     20.1600000              0.230781D+00     
  9      5.7200000              0.178971D-01     
 10      2.1820000             -0.297516D-02     
 11      0.4327000              0.849522D-03     
S   11
  1 110800.0000000             -0.687039D-04     
  2  16610.0000000             -0.527681D-03     
  3   3781.0000000             -0.279671D-02     
  4   1071.0000000             -0.112651D-01     
  5    349.8000000             -0.388834D-01     
  6    126.3000000             -0.995025D-01     
  7     49.2600000             -0.199740D+00     
  8     20.1600000             -0.123360D+00     
  9      5.7200000              0.513194D+00     
 10      2.1820000              0.607120D+00     
 11      0.4327000              0.396753D-01     
S   11
  1 110800.0000000              0.199077D-04     
  2  16610.0000000              0.153483D-03     
  3   3781.0000000              0.809503D-03     
  4   1071.0000000              0.328974D-02     
  5    349.8000000              0.112967D-01     
  6    126.3000000              0.296385D-01     
  7     49.2600000              0.599851D-01     
  8     20.1600000              0.413248D-01     
  9      5.7200000             -0.207474D+00     
 10      2.1820000             -0.392889D+00     
 11      0.4327000              0.632840D+00     
S   1
  1      0.1570000              1.0000000        
S   1
  1      0.0507000              1.0000000        
P   7
  1    399.7000000              0.447541D-02     
  2     94.1900000              0.341708D-01     
  3     29.7500000              0.144250D+00     
  4     10.7700000              0.353928D+00     
  5      4.1190000              0.459085D+00     
  6      1.6250000              0.206383D+00     
  7      0.4726000              0.102141D-01     
P   7
  1    399.7000000             -0.116251D-02     
  2     94.1900000             -0.865664D-02     
  3     29.7500000             -0.390886D-01     
  4     10.7700000             -0.934625D-01     
  5      4.1190000             -0.147994D+00     
  6      1.6250000              0.301904D-01     
  7      0.4726000              0.561573D+00     
P   1
  1      0.1407000              1.0000000        
P   1
  1      0.0399000              1.0000000        
D   1
  1      2.9940000              1.0000000        
D   1
  1      0.4810000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: Cl
data:
CHLORINE
S   11
  1 127900.0000000              0.241153D-03     
  2  19170.0000000              0.187095D-02     
  3   4363.0000000              0.970827D-02     
  4   1236.0000000              0.393153D-01     
  5    403.6000000              0.125932D+00     
  6    145.7000000              0.299341D+00     
  7     56.8100000              0.421886D+00     
  8     23.2300000              0.237201D+00     
  9      6.6440000              0.191531D-01     
 10      2.5750000             -0.334792D-02     
 11      0.5371000              0.929883D-03     
S   11
  1 127900.0000000             -0.678922D-04     
  2  19170.0000000             -0.521836D-03     
  3   4363.0000000             -0.276513D-02     
  4   1236.0000000             -0.111537D-01     
  5    403.6000000             -0.385919D-01     
  6    145.7000000             -0.994848D-01     
  7     56.8100000             -0.201392D+00     
  8     23.2300000             -0.130313D+00     
  9      6.6440000              0.509443D+00     
 10      2.5750000              0.610725D+00     
 11      0.5371000              0.421549D-01     
S   11
  1 127900.0000000              0.204986D-04     
  2  19170.0000000              0.158298D-03     
  3   4363.0000000              0.833639D-03     
  4   1236.0000000              0.339880D-02     
  5    403.6000000              0.116738D-01     
  6    145.7000000              0.309622D-01     
  7     56.8100000              0.629533D-01     
  8     23.2300000              0.460257D-01     
  9      6.6440000             -0.219312D+00     
 10      2.5750000             -0.408773D+00     
 11      0.5371000              0.638465D+00     
S   1
  1      0.1938000              1.0000000        
S   1
  1      0.0608000              1.0000000        
P   7
  1    417.6000000              0.525982D-02     
  2     98.3300000              0.398332D-01     
  3     31.0400000              0.164655D+00     
  4     11.1900000              0.387322D+00     
  5      4.2490000              0.457072D+00     
  6      1.6240000              0.151636D+00     
  7      0.5322000              0.181615D-02     
P   7
  1    417.6000000             -0.143570D-02     
  2     98.3300000             -0.107796D-01     
  3     31.0400000             -0.470075D-01     
  4     11.1900000             -0.111030D+00     
  5      4.2490000             -0.153275D+00     
  6      1.6240000              0.894609D-01     
  7      0.5322000              0.579444D+00     
P   1
  1      0.1620000              1.0000000        
P   1
  1      0.0466000              1.0000000        
D   1
  1      3.6520000              1.0000000        
D   1
  1      0.6030000              1.0000000        


name: jun-cc-pV(D+d)Z
description: jun-cc-pV(D+d)Z basis set is a partially augmented cc-pV(D+d)Z basis set of Dunning and coworkers.
elt: Ar
data:
ARGON
S   11
  1 145700.0000000              0.236700D-03     
  2  21840.0000000              0.183523D-02     
  3   4972.0000000              0.952860D-02     
  4   1408.0000000              0.386283D-01     
  5    459.7000000              0.124081D+00     
  6    165.9000000              0.296471D+00     
  7     64.6900000              0.422068D+00     
  8     26.4400000              0.241711D+00     
  9      7.6280000              0.200509D-01     
 10      2.9960000             -0.361000D-02     
 11      0.6504000              0.975607D-03     
S   11
  1 145700.0000000             -0.674910D-04     
  2  21840.0000000             -0.518522D-03     
  3   4972.0000000             -0.274825D-02     
  4   1408.0000000             -0.111007D-01     
  5    459.7000000             -0.384820D-01     
  6    165.9000000             -0.997599D-01     
  7     64.6900000             -0.203088D+00     
  8     26.4400000             -0.135608D+00     
  9      7.6280000              0.507195D+00     
 10      2.9960000              0.612898D+00     
 11      0.6504000              0.442968D-01     
S   11
  1 145700.0000000              0.210457D-04     
  2  21840.0000000              0.162565D-03     
  3   4972.0000000              0.855463D-03     
  4   1408.0000000              0.349745D-02     
  5    459.7000000              0.120156D-01     
  6    165.9000000              0.321368D-01     
  7     64.6900000              0.655279D-01     
  8     26.4400000              0.499370D-01     
  9      7.6280000             -0.229769D+00     
 10      2.9960000             -0.421006D+00     
 11      0.6504000              0.642331D+00     
S   1
  1      0.2337000              1.0000000        
S   1
  1      0.0709000              1.0000000        
P   7
  1    453.7000000              0.570555D-02     
  2    106.8000000              0.430460D-01     
  3     33.7300000              0.176591D+00     
  4     12.1300000              0.406863D+00     
  5      4.5940000              0.452549D+00     
  6      1.6780000              0.122801D+00     
  7      0.5909000             -0.445996D-02     
P   7
  1    453.7000000             -0.160655D-02     
  2    106.8000000             -0.121714D-01     
  3     33.7300000             -0.520789D-01     
  4     12.1300000             -0.123737D+00     
  5      4.5940000             -0.151619D+00     
  6      1.6780000              0.142425D+00     
  7      0.5909000              0.584501D+00     
P   1
  1      0.1852000              1.0000000        
P   1
  1      0.0533000              1.0000000        
D   1
  1      4.3900000              1.0000000        
D   1
  1      0.7390000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: Li
data:
LITHIUM
S   9
  1   6601.0000000              0.0001170        
  2    989.7000000              0.0009110        
  3    225.7000000              0.0047280        
  4     64.2900000              0.0191970        
  5     21.1800000              0.0630470        
  6      7.7240000              0.1632080        
  7      3.0030000              0.3148270        
  8      1.2120000              0.3939360        
  9      0.4930000              0.1969180        
S   9
  1   6601.0000000             -0.0000180        
  2    989.7000000             -0.0001420        
  3    225.7000000             -0.0007410        
  4     64.2900000             -0.0030200        
  5     21.1800000             -0.0101230        
  6      7.7240000             -0.0270940        
  7      3.0030000             -0.0573590        
  8      1.2120000             -0.0938950        
  9      0.4930000             -0.1210910        
S   1
  1      0.0951500              1.0000000        
S   1
  1      0.0479100              1.0000000        
S   1
  1      0.0222000              1.0000000        
S   1
  1      0.0063600              1.0000000        
P   3
  1      6.2500000              0.0033880        
  2      1.3700000              0.0193160        
  3      0.3672000              0.0791040        
P   1
  1      0.1192000              1.0000000        
P   1
  1      0.0447400              1.0000000        
P   1
  1      0.0179500              1.0000000        
P   1
  1      0.0075600              1.0000000        
D   1
  1      0.3440000              1.0000000        
D   1
  1      0.1530000              1.0000000        
D   1
  1      0.0680000              1.0000000        
D   1
  1      0.0266000              1.0000000        
F   1
  1      0.2460000              1.0000000        
F   1
  1      0.1292000              1.0000000        
F   1
  1      0.0552000              1.0000000        
G   1
  1      0.2380000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: Be
data:
BERYLLIUM
S   9
  1  14630.0000000              0.0000920        
  2   2191.0000000              0.0007130        
  3    498.2000000              0.0037350        
  4    140.9000000              0.0154680        
  5     45.8600000              0.0528740        
  6     16.4700000              0.1456940        
  7      6.3190000              0.3026810        
  8      2.5350000              0.4049360        
  9      1.0350000              0.2223870        
S   9
  1  14630.0000000             -0.0000170        
  2   2191.0000000             -0.0001300        
  3    498.2000000             -0.0006790        
  4    140.9000000             -0.0028570        
  5     45.8600000             -0.0098130        
  6     16.4700000             -0.0286090        
  7      6.3190000             -0.0637600        
  8      2.5350000             -0.1172310        
  9      1.0350000             -0.1212020        
S   1
  1      0.2528000              1.0000000        
S   1
  1      0.1052000              1.0000000        
S   1
  1      0.0426100              1.0000000        
S   1
  1      0.0143900              1.0000000        
P   3
  1     14.0300000              0.0040990        
  2      3.1680000              0.0256260        
  3      0.9024000              0.1037680        
P   1
  1      0.3036000              1.0000000        
P   1
  1      0.1130000              1.0000000        
P   1
  1      0.0428600              1.0000000        
P   1
  1      0.0065000              1.0000000        
D   1
  1      1.0720000              1.0000000        
D   1
  1      0.4410000              1.0000000        
D   1
  1      0.1811000              1.0000000        
D   1
  1      0.0554000              1.0000000        
F   1
  1      0.4810000              1.0000000        
F   1
  1      0.2550000              1.0000000        
F   1
  1      0.0930000              1.0000000        
G   1
  1      0.4150000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: B
data:
BORON
S   9
  1  23870.0000000              0.0000880        
  2   3575.0000000              0.0006870        
  3    812.8000000              0.0036000        
  4    229.7000000              0.0149490        
  5     74.6900000              0.0514350        
  6     26.8100000              0.1433020        
  7     10.3200000              0.3009350        
  8      4.1780000              0.4035260        
  9      1.7270000              0.2253400        
S   9
  1  23870.0000000             -0.0000180        
  2   3575.0000000             -0.0001390        
  3    812.8000000             -0.0007250        
  4    229.7000000             -0.0030630        
  5     74.6900000             -0.0105810        
  6     26.8100000             -0.0313650        
  7     10.3200000             -0.0710120        
  8      4.1780000             -0.1321030        
  9      1.7270000             -0.1230720        
S   1
  1      0.4704000              1.0000000        
S   1
  1      0.1896000              1.0000000        
S   1
  1      0.0739400              1.0000000        
S   1
  1      0.0272100              1.0000000        
P   3
  1     22.2600000              0.0050950        
  2      5.0580000              0.0332060        
  3      1.4870000              0.1323140        
P   1
  1      0.5071000              1.0000000        
P   1
  1      0.1812000              1.0000000        
P   1
  1      0.0646300              1.0000000        
P   1
  1      0.0187800              1.0000000        
D   1
  1      1.1100000              1.0000000        
D   1
  1      0.4020000              1.0000000        
D   1
  1      0.1450000              1.0000000        
D   1
  1      0.0466000              1.0000000        
F   1
  1      0.8820000              1.0000000        
F   1
  1      0.3110000              1.0000000        
F   1
  1      0.1130000              1.0000000        
G   1
  1      0.6730000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: C
data:
CARBON
S   9
  1  33980.0000000              0.0000910        
  2   5089.0000000              0.0007040        
  3   1157.0000000              0.0036930        
  4    326.6000000              0.0153600        
  5    106.1000000              0.0529290        
  6     38.1100000              0.1470430        
  7     14.7500000              0.3056310        
  8      6.0350000              0.3993450        
  9      2.5300000              0.2170510        
S   9
  1  33980.0000000             -0.0000190        
  2   5089.0000000             -0.0001510        
  3   1157.0000000             -0.0007850        
  4    326.6000000             -0.0033240        
  5    106.1000000             -0.0115120        
  6     38.1100000             -0.0341600        
  7     14.7500000             -0.0771730        
  8      6.0350000             -0.1414930        
  9      2.5300000             -0.1180190        
S   1
  1      0.7355000              1.0000000        
S   1
  1      0.2905000              1.0000000        
S   1
  1      0.1111000              1.0000000        
S   1
  1      0.0414500              1.0000000        
P   3
  1     34.5100000              0.0053780        
  2      7.9150000              0.0361320        
  3      2.3680000              0.1424930        
P   1
  1      0.8132000              1.0000000        
P   1
  1      0.2890000              1.0000000        
P   1
  1      0.1007000              1.0000000        
P   1
  1      0.0321800              1.0000000        
D   1
  1      1.8480000              1.0000000        
D   1
  1      0.6490000              1.0000000        
D   1
  1      0.2280000              1.0000000        
D   1
  1      0.0766000              1.0000000        
F   1
  1      1.4190000              1.0000000        
F   1
  1      0.4850000              1.0000000        
F   1
  1      0.1870000              1.0000000        
G   1
  1      1.0110000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: N
data:
NITROGEN
S   9
  1  45840.0000000              0.0000920        
  2   6868.0000000              0.0007170        
  3   1563.0000000              0.0037490        
  4    442.4000000              0.0155320        
  5    144.3000000              0.0531460        
  6     52.1800000              0.1467870        
  7     20.3400000              0.3046630        
  8      8.3810000              0.3976840        
  9      3.5290000              0.2176410        
S   9
  1  45840.0000000             -0.0000200        
  2   6868.0000000             -0.0001590        
  3   1563.0000000             -0.0008240        
  4    442.4000000             -0.0034780        
  5    144.3000000             -0.0119660        
  6     52.1800000             -0.0353880        
  7     20.3400000             -0.0800770        
  8      8.3810000             -0.1467220        
  9      3.5290000             -0.1163600        
S   1
  1      1.0540000              1.0000000        
S   1
  1      0.4118000              1.0000000        
S   1
  1      0.1552000              1.0000000        
S   1
  1      0.0546400              1.0000000        
P   3
  1     49.3300000              0.0055330        
  2     11.3700000              0.0379620        
  3      3.4350000              0.1490280        
P   1
  1      1.1820000              1.0000000        
P   1
  1      0.4173000              1.0000000        
P   1
  1      0.1428000              1.0000000        
P   1
  1      0.0440200              1.0000000        
D   1
  1      2.8370000              1.0000000        
D   1
  1      0.9680000              1.0000000        
D   1
  1      0.3350000              1.0000000        
D   1
  1      0.1110000              1.0000000        
F   1
  1      2.0270000              1.0000000        
F   1
  1      0.6850000              1.0000000        
F   1
  1      0.2450000              1.0000000        
G   1
  1      1.4270000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: O
data:
OXYGEN
S   9
  1  61420.0000000              0.0000900        
  2   9199.0000000              0.0006980        
  3   2091.0000000              0.0036640        
  4    590.9000000              0.0152180        
  5    192.3000000              0.0524230        
  6     69.3200000              0.1459210        
  7     26.9700000              0.3052580        
  8     11.1000000              0.3985080        
  9      4.6820000              0.2169800        
S   9
  1  61420.0000000             -0.0000200        
  2   9199.0000000             -0.0001590        
  3   2091.0000000             -0.0008290        
  4    590.9000000             -0.0035080        
  5    192.3000000             -0.0121560        
  6     69.3200000             -0.0362610        
  7     26.9700000             -0.0829920        
  8     11.1000000             -0.1520900        
  9      4.6820000             -0.1153310        
S   1
  1      1.4280000              1.0000000        
S   1
  1      0.5547000              1.0000000        
S   1
  1      0.2067000              1.0000000        
S   1
  1      0.0695900              1.0000000        
P   3
  1     63.4200000              0.0060440        
  2     14.6600000              0.0417990        
  3      4.4590000              0.1611430        
P   1
  1      1.5310000              1.0000000        
P   1
  1      0.5302000              1.0000000        
P   1
  1      0.1750000              1.0000000        
P   1
  1      0.0534800              1.0000000        
D   1
  1      3.7750000              1.0000000        
D   1
  1      1.3000000              1.0000000        
D   1
  1      0.4440000              1.0000000        
D   1
  1      0.1540000              1.0000000        
F   1
  1      2.6660000              1.0000000        
F   1
  1      0.8590000              1.0000000        
F   1
  1      0.3240000              1.0000000        
G   1
  1      1.8460000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: F
data:
FLUORINE
S   9
  1  74530.0000000              0.0000950        
  2  11170.0000000              0.0007380        
  3   2543.0000000              0.0038580        
  4    721.0000000              0.0159260        
  5    235.9000000              0.0542890        
  6     85.6000000              0.1495130        
  7     33.5500000              0.3082520        
  8     13.9300000              0.3948530        
  9      5.9150000              0.2110310        
S   9
  1  74530.0000000             -0.0000220        
  2  11170.0000000             -0.0001720        
  3   2543.0000000             -0.0008910        
  4    721.0000000             -0.0037480        
  5    235.9000000             -0.0128620        
  6     85.6000000             -0.0380610        
  7     33.5500000             -0.0862390        
  8     13.9300000             -0.1558650        
  9      5.9150000             -0.1109140        
S   1
  1      1.8430000              1.0000000        
S   1
  1      0.7124000              1.0000000        
S   1
  1      0.2637000              1.0000000        
S   1
  1      0.0859400              1.0000000        
P   3
  1     80.3900000              0.0063470        
  2     18.6300000              0.0442040        
  3      5.6940000              0.1685140        
P   1
  1      1.9530000              1.0000000        
P   1
  1      0.6702000              1.0000000        
P   1
  1      0.2166000              1.0000000        
P   1
  1      0.0656800              1.0000000        
D   1
  1      5.0140000              1.0000000        
D   1
  1      1.7250000              1.0000000        
D   1
  1      0.5860000              1.0000000        
D   1
  1      0.2070000              1.0000000        
F   1
  1      3.5620000              1.0000000        
F   1
  1      1.1480000              1.0000000        
F   1
  1      0.4600000              1.0000000        
G   1
  1      2.3760000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: Ne
data:
NEON
S   9
  1  99920.0000000              0.0000860        
  2  14960.0000000              0.0006690        
  3   3399.0000000              0.0035180        
  4    958.9000000              0.0146670        
  5    311.2000000              0.0509620        
  6    111.7000000              0.1437440        
  7     43.3200000              0.3045620        
  8     17.8000000              0.4001050        
  9      7.5030000              0.2186440        
S   9
  1  99920.0000000             -0.0000200        
  2  14960.0000000             -0.0001580        
  3   3399.0000000             -0.0008240        
  4    958.9000000             -0.0035000        
  5    311.2000000             -0.0122330        
  6    111.7000000             -0.0370170        
  7     43.3200000             -0.0861130        
  8     17.8000000             -0.1583810        
  9      7.5030000             -0.1142880        
S   1
  1      2.3370000              1.0000000        
S   1
  1      0.9001000              1.0000000        
S   1
  1      0.3301000              1.0000000        
S   1
  1      0.1054000              1.0000000        
P   3
  1     99.6800000              0.0065660        
  2     23.1500000              0.0459790        
  3      7.1080000              0.1734190        
P   1
  1      2.4410000              1.0000000        
P   1
  1      0.8339000              1.0000000        
P   1
  1      0.2662000              1.0000000        
P   1
  1      0.0817800              1.0000000        
D   1
  1      6.4710000              1.0000000        
D   1
  1      2.2130000              1.0000000        
D   1
  1      0.7470000              1.0000000        
D   1
  1      0.2730000              1.0000000        
F   1
  1      4.6570000              1.0000000        
F   1
  1      1.5240000              1.0000000        
F   1
  1      0.6890000              1.0000000        
G   1
  1      2.9830000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: Na
data:
SODIUM
S   16
  1 1224000.0000000             0.478894D-05     
  2 183200.0000000              0.372395D-04     
  3  41700.0000000              0.195831D-03     
  4  11810.0000000              0.826698D-03     
  5   3853.0000000              0.300251D-02     
  6   1391.0000000              0.970310D-02     
  7    542.5000000              0.282337D-01     
  8    224.9000000              0.732058D-01     
  9     97.9300000              0.162897D+00     
 10     44.3100000              0.288708D+00     
 11     20.6500000              0.346829D+00     
 12      9.7290000              0.206865D+00     
 13      4.2280000              0.328009D-01     
 14      1.9690000             -0.647736D-03     
 15      0.8890000              0.145878D-02     
 16      0.3964000             -0.178346D-03     
S   16
  1 1224000.0000000            -0.116958D-05     
  2 183200.0000000             -0.909110D-05     
  3  41700.0000000             -0.478499D-04     
  4  11810.0000000             -0.201962D-03     
  5   3853.0000000             -0.735837D-03     
  6   1391.0000000             -0.238746D-02     
  7    542.5000000             -0.704969D-02     
  8    224.9000000             -0.187856D-01     
  9     97.9300000             -0.446153D-01     
 10     44.3100000             -0.897741D-01     
 11     20.6500000             -0.142940D+00     
 12      9.7290000             -0.124315D+00     
 13      4.2280000              0.999648D-01     
 14      1.9690000              0.417080D+00     
 15      0.8890000              0.475123D+00     
 16      0.3964000              0.163268D+00     
S   16
  1 1224000.0000000             0.175871D-06     
  2 183200.0000000              0.136594D-05     
  3  41700.0000000              0.719795D-05     
  4  11810.0000000              0.303349D-04     
  5   3853.0000000              0.110752D-03     
  6   1391.0000000              0.358596D-03     
  7    542.5000000              0.106272D-02     
  8    224.9000000              0.282687D-02     
  9     97.9300000              0.676742D-02     
 10     44.3100000              0.136480D-01     
 11     20.6500000              0.222814D-01     
 12      9.7290000              0.196011D-01     
 13      4.2280000             -0.167708D-01     
 14      1.9690000             -0.773734D-01     
 15      0.8890000             -0.113501D+00     
 16      0.3964000             -0.139130D+00     
S   1
  1      0.0699300              1.0000000        
S   1
  1      0.0328900              1.0000000        
S   1
  1      0.0161200              1.0000000        
S   1
  1      0.0050300              1.0000000        
P   9
  1    413.4000000              0.908196D-03     
  2     97.9800000              0.741773D-02     
  3     31.3700000              0.357464D-01     
  4     11.6200000              0.118520D+00     
  5      4.6710000              0.261403D+00     
  6      1.9180000              0.378395D+00     
  7      0.7775000              0.334632D+00     
  8      0.3013000              0.126844D+00     
  9      0.2275000             -0.147117D-01     
P   9
  1    413.4000000             -0.901741D-04     
  2     97.9800000             -0.739342D-03     
  3     31.3700000             -0.357309D-02     
  4     11.6200000             -0.120142D-01     
  5      4.6710000             -0.267178D-01     
  6      1.9180000             -0.392753D-01     
  7      0.7775000             -0.376083D-01     
  8      0.3013000             -0.433228D-01     
  9      0.2275000              0.518003D-01     
P   1
  1      0.0752700              1.0000000        
P   1
  1      0.0312600              1.0000000        
P   1
  1      0.0134200              1.0000000        
P   1
  1      0.0077200              1.0000000        
D   1
  1      0.1538000              1.0000000        
D   1
  1      0.0865000              1.0000000        
D   1
  1      0.0487000              1.0000000        
D   1
  1      0.0210000              1.0000000        
F   1
  1      0.1912000              1.0000000        
F   1
  1      0.1036000              1.0000000        
F   1
  1      0.0453000              1.0000000        
G   1
  1      0.1722000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: Mg
data:
MAGNESIUM
S   13
  1 327600.0000000              0.309608D-04     
  2  49050.0000000              0.240954D-03     
  3  11150.0000000              0.126660D-02     
  4   3152.0000000              0.533359D-02     
  5   1025.0000000              0.190770D-01     
  6    368.8000000              0.588058D-01     
  7    143.2000000              0.151454D+00     
  8     58.9600000              0.300716D+00     
  9     25.4000000              0.381149D+00     
 10     11.1500000              0.213584D+00     
 11      4.0040000              0.231210D-01     
 12      1.7010000             -0.230757D-02     
 13      0.7060000              0.128900D-02     
S   13
  1 327600.0000000             -0.783173D-05     
  2  49050.0000000             -0.607935D-04     
  3  11150.0000000             -0.321197D-03     
  4   3152.0000000             -0.134955D-02     
  5   1025.0000000             -0.490570D-02     
  6    368.8000000             -0.153561D-01     
  7    143.2000000             -0.423409D-01     
  8     58.9600000             -0.940603D-01     
  9     25.4000000             -0.163425D+00     
 10     11.1500000             -0.124754D+00     
 11      4.0040000              0.235623D+00     
 12      1.7010000              0.577563D+00     
 13      0.7060000              0.335232D+00     
S   13
  1 327600.0000000              0.150908D-05     
  2  49050.0000000              0.117134D-04     
  3  11150.0000000              0.618980D-04     
  4   3152.0000000              0.260088D-03     
  5   1025.0000000              0.946218D-03     
  6    368.8000000              0.296595D-02     
  7    143.2000000              0.821245D-02     
  8     58.9600000              0.183977D-01     
  9     25.4000000              0.326657D-01     
 10     11.1500000              0.257315D-01     
 11      4.0040000             -0.535351D-01     
 12      1.7010000             -0.156895D+00     
 13      0.7060000             -0.206659D+00     
S   1
  1      0.1410000              1.0000000        
S   1
  1      0.0680800              1.0000000        
S   1
  1      0.0306300              1.0000000        
S   1
  1      0.0123900              1.0000000        
P   9
  1    539.6000000              0.833969D-03     
  2    127.9000000              0.689215D-02     
  3     41.0200000              0.337874D-01     
  4     15.2500000              0.114401D+00     
  5      6.1660000              0.259514D+00     
  6      2.5610000              0.385095D+00     
  7      1.0600000              0.335373D+00     
  8      0.4176000              0.110641D+00     
  9      0.2690000             -0.121315D-01     
P   9
  1    539.6000000             -0.132076D-03     
  2    127.9000000             -0.109538D-02     
  3     41.0200000             -0.539495D-02     
  4     15.2500000             -0.185572D-01     
  5      6.1660000             -0.427375D-01     
  6      2.5610000             -0.647684D-01     
  7      1.0600000             -0.627818D-01     
  8      0.4176000             -0.244912D-01     
  9      0.2690000              0.104761D+00     
P   1
  1      0.1223000              1.0000000        
P   1
  1      0.0547600              1.0000000        
P   1
  1      0.0238800              1.0000000        
P   1
  1      0.0070600              1.0000000        
D   1
  1      0.1060000              1.0000000        
D   1
  1      0.1944000              1.0000000        
D   1
  1      0.3570000              1.0000000        
D   1
  1      0.0382000              1.0000000        
F   1
  1      0.1810000              1.0000000        
F   1
  1      0.3590000              1.0000000        
F   1
  1      0.0700000              1.0000000        
G   1
  1      0.3070000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: Al
data:
ALUMINUM
S   13
  1 419600.0000000              0.278219D-04     
  2  62830.0000000              0.216330D-03     
  3  14290.0000000              0.113754D-02     
  4   4038.0000000              0.479635D-02     
  5   1312.0000000              0.172389D-01     
  6    470.5000000              0.538066D-01     
  7    181.8000000              0.141326D+00     
  8     74.4600000              0.289268D+00     
  9     31.9000000              0.384825D+00     
 10     13.9600000              0.232852D+00     
 11      5.1800000              0.293330D-01     
 12      2.2650000             -0.300574D-02     
 13      0.9664000              0.166673D-02     
S   13
  1 419600.0000000             -0.723754D-05     
  2  62830.0000000             -0.561733D-04     
  3  14290.0000000             -0.296528D-03     
  4   4038.0000000             -0.124913D-02     
  5   1312.0000000             -0.455101D-02     
  6    470.5000000             -0.144393D-01     
  7    181.8000000             -0.403464D-01     
  8     74.4600000             -0.922618D-01     
  9     31.9000000             -0.164510D+00     
 10     13.9600000             -0.141296D+00     
 11      5.1800000              0.195365D+00     
 12      2.2650000              0.572475D+00     
 13      0.9664000              0.374041D+00     
S   13
  1 419600.0000000              0.167150D-05     
  2  62830.0000000              0.129641D-04     
  3  14290.0000000              0.685101D-04     
  4   4038.0000000              0.288274D-03     
  5   1312.0000000              0.105276D-02     
  6    470.5000000              0.333878D-02     
  7    181.8000000              0.939217D-02     
  8     74.4600000              0.216047D-01     
  9     31.9000000              0.395873D-01     
 10     13.9600000              0.349180D-01     
 11      5.1800000             -0.528415D-01     
 12      2.2650000             -0.191878D+00     
 13      0.9664000             -0.254115D+00     
S   1
  1      0.2447000              1.0000000        
S   1
  1      0.1184000              1.0000000        
S   1
  1      0.0502100              1.0000000        
S   1
  1      0.0183000              1.0000000        
P   8
  1    891.3000000              0.491755D-03     
  2    211.3000000              0.415843D-02     
  3     68.2800000              0.212538D-01     
  4     25.7000000              0.764058D-01     
  5     10.6300000              0.194277D+00     
  6      4.6020000              0.334428D+00     
  7      2.0150000              0.375026D+00     
  8      0.8706000              0.204041D+00     
P   8
  1    891.3000000             -0.888695D-04     
  2    211.3000000             -0.745823D-03     
  3     68.2800000             -0.387025D-02     
  4     25.7000000             -0.139350D-01     
  5     10.6300000             -0.366860D-01     
  6      4.6020000             -0.627797D-01     
  7      2.0150000             -0.789602D-01     
  8      0.8706000             -0.288589D-01     
P   1
  1      0.2972000              1.0000000        
P   1
  1      0.1100000              1.0000000        
P   1
  1      0.0398900              1.0000000        
P   1
  1      0.0121000              1.0000000        
D   1
  1      1.9700000              1.0000000        
D   1
  1      0.4370000              1.0000000        
D   1
  1      0.1950000              1.0000000        
D   1
  1      0.0800000              1.0000000        
D   1
  1      0.0274000              1.0000000        
F   1
  1      0.1540000              1.0000000        
F   1
  1      0.4010000              1.0000000        
F   1
  1      0.0582000              1.0000000        
G   1
  1      0.3570000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: Si
data:
SILICON
S   13
  1 513000.0000000              0.260920D-04     
  2  76820.0000000              0.202905D-03     
  3  17470.0000000              0.106715D-02     
  4   4935.0000000              0.450597D-02     
  5   1602.0000000              0.162359D-01     
  6    574.1000000              0.508913D-01     
  7    221.5000000              0.135155D+00     
  8     90.5400000              0.281292D+00     
  9     38.7400000              0.385336D+00     
 10     16.9500000              0.245651D+00     
 11      6.4520000              0.343145D-01     
 12      2.8740000             -0.334884D-02     
 13      1.2500000              0.187625D-02     
S   13
  1 513000.0000000             -0.694880D-05     
  2  76820.0000000             -0.539641D-04     
  3  17470.0000000             -0.284716D-03     
  4   4935.0000000             -0.120203D-02     
  5   1602.0000000             -0.438397D-02     
  6    574.1000000             -0.139776D-01     
  7    221.5000000             -0.393516D-01     
  8     90.5400000             -0.914283D-01     
  9     38.7400000             -0.165609D+00     
 10     16.9500000             -0.152505D+00     
 11      6.4520000              0.168524D+00     
 12      2.8740000              0.569284D+00     
 13      1.2500000              0.398056D+00     
S   13
  1 513000.0000000              0.178068D-05     
  2  76820.0000000              0.138148D-04     
  3  17470.0000000              0.730005D-04     
  4   4935.0000000              0.307666D-03     
  5   1602.0000000              0.112563D-02     
  6    574.1000000              0.358435D-02     
  7    221.5000000              0.101728D-01     
  8     90.5400000              0.237520D-01     
  9     38.7400000              0.443483D-01     
 10     16.9500000              0.419041D-01     
 11      6.4520000             -0.502504D-01     
 12      2.8740000             -0.216578D+00     
 13      1.2500000             -0.286448D+00     
S   1
  1      0.3599000              1.0000000        
S   1
  1      0.1699000              1.0000000        
S   1
  1      0.0706600              1.0000000        
S   1
  1      0.0275000              1.0000000        
P   8
  1   1122.0000000              0.448143D-03     
  2    266.0000000              0.381639D-02     
  3     85.9200000              0.198105D-01     
  4     32.3300000              0.727017D-01     
  5     13.3700000              0.189839D+00     
  6      5.8000000              0.335672D+00     
  7      2.5590000              0.379365D+00     
  8      1.1240000              0.201193D+00     
P   8
  1   1122.0000000             -0.964883D-04     
  2    266.0000000             -0.811971D-03     
  3     85.9200000             -0.430087D-02     
  4     32.3300000             -0.157502D-01     
  5     13.3700000             -0.429541D-01     
  6      5.8000000             -0.752574D-01     
  7      2.5590000             -0.971446D-01     
  8      1.1240000             -0.227507D-01     
P   1
  1      0.3988000              1.0000000        
P   1
  1      0.1533000              1.0000000        
P   1
  1      0.0572800              1.0000000        
P   1
  1      0.0200000              1.0000000        
D   1
  1      2.6450000              1.0000000        
D   1
  1      0.6080000              1.0000000        
D   1
  1      0.2720000              1.0000000        
D   1
  1      0.1130000              1.0000000        
D   1
  1      0.0414000              1.0000000        
F   1
  1      0.2120000              1.0000000        
F   1
  1      0.5410000              1.0000000        
F   1
  1      0.0846000              1.0000000        
G   1
  1      0.4610000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: P
data:
PHOSPHOROUS
S   13
  1 615200.0000000              0.247450D-04     
  2  92120.0000000              0.192465D-03     
  3  20950.0000000              0.101202D-02     
  4   5920.0000000              0.427261D-02     
  5   1922.0000000              0.154161D-01     
  6    688.0000000              0.485976D-01     
  7    265.0000000              0.130060D+00     
  8    108.2000000              0.274514D+00     
  9     46.2200000              0.385402D+00     
 10     20.2300000              0.255934D+00     
 11      7.8590000              0.391237D-01     
 12      3.5470000             -0.368010D-02     
 13      1.5640000              0.208211D-02     
S   13
  1 615200.0000000             -0.672205D-05     
  2  92120.0000000             -0.522311D-04     
  3  20950.0000000             -0.275361D-03     
  4   5920.0000000             -0.116307D-02     
  5   1922.0000000             -0.424281D-02     
  6    688.0000000             -0.136114D-01     
  7    265.0000000             -0.385114D-01     
  8    108.2000000             -0.906643D-01     
  9     46.2200000             -0.166584D+00     
 10     20.2300000             -0.161447D+00     
 11      7.8590000              0.146781D+00     
 12      3.5470000              0.566682D+00     
 13      1.5640000              0.416433D+00     
S   13
  1 615200.0000000              0.184740D-05     
  2  92120.0000000              0.143380D-04     
  3  20950.0000000              0.757228D-04     
  4   5920.0000000              0.319205D-03     
  5   1922.0000000              0.116851D-02     
  6    688.0000000              0.374267D-02     
  7    265.0000000              0.106817D-01     
  8    108.2000000              0.252657D-01     
  9     46.2200000              0.479283D-01     
 10     20.2300000              0.477096D-01     
 11      7.8590000             -0.466525D-01     
 12      3.5470000             -0.234968D+00     
 13      1.5640000             -0.311337D+00     
S   1
  1      0.4888000              1.0000000        
S   1
  1      0.2266000              1.0000000        
S   1
  1      0.0933100              1.0000000        
S   1
  1      0.0354000              1.0000000        
P   8
  1   1367.0000000              0.421015D-03     
  2    324.0000000              0.360985D-02     
  3    104.6000000              0.189217D-01     
  4     39.3700000              0.705560D-01     
  5     16.2600000              0.188157D+00     
  6      7.0560000              0.338709D+00     
  7      3.1300000              0.381943D+00     
  8      1.3940000              0.195261D+00     
P   8
  1   1367.0000000             -0.100827D-03     
  2    324.0000000             -0.854499D-03     
  3    104.6000000             -0.457116D-02     
  4     39.3700000             -0.170327D-01     
  5     16.2600000             -0.475204D-01     
  6      7.0560000             -0.852786D-01     
  7      3.1300000             -0.109676D+00     
  8      1.3940000             -0.161181D-01     
P   1
  1      0.5179000              1.0000000        
P   1
  1      0.2032000              1.0000000        
P   1
  1      0.0769800              1.0000000        
P   1
  1      0.0272000              1.0000000        
D   1
  1      3.3430000              1.0000000        
D   1
  1      0.8070000              1.0000000        
D   1
  1      0.3650000              1.0000000        
D   1
  1      0.1540000              1.0000000        
D   1
  1      0.0570000              1.0000000        
F   1
  1      0.2800000              1.0000000        
F   1
  1      0.7030000              1.0000000        
F   1
  1      0.1090000              1.0000000        
G   1
  1      0.5970000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: S
data:
SULFUR
S   13
  1 727800.0000000              0.236025D-04     
  2 109000.0000000              0.183482D-03     
  3  24800.0000000              0.964278D-03     
  4   7014.0000000              0.406537D-02     
  5   2278.0000000              0.146973D-01     
  6    814.7000000              0.465081D-01     
  7    313.4000000              0.125508D+00     
  8    127.7000000              0.268433D+00     
  9     54.4800000              0.384809D+00     
 10     23.8500000              0.265372D+00     
 11      9.4280000              0.437326D-01     
 12      4.2900000             -0.378807D-02     
 13      1.9090000              0.218083D-02     
S   13
  1 727800.0000000             -0.652179D-05     
  2 109000.0000000             -0.506631D-04     
  3  24800.0000000             -0.266833D-03     
  4   7014.0000000             -0.112601D-02     
  5   2278.0000000             -0.411186D-02     
  6    814.7000000             -0.132454D-01     
  7    313.4000000             -0.377004D-01     
  8    127.7000000             -0.898554D-01     
  9     54.4800000             -0.167098D+00     
 10     23.8500000             -0.169354D+00     
 11      9.4280000              0.127824D+00     
 12      4.2900000              0.564862D+00     
 13      1.9090000              0.431767D+00     
S   13
  1 727800.0000000              0.189406D-05     
  2 109000.0000000              0.146948D-04     
  3  24800.0000000              0.775460D-04     
  4   7014.0000000              0.326509D-03     
  5   2278.0000000              0.119686D-02     
  6    814.7000000              0.384799D-02     
  7    313.4000000              0.110539D-01     
  8    127.7000000              0.264645D-01     
  9     54.4800000              0.508771D-01     
 10     23.8500000              0.530030D-01     
 11      9.4280000             -0.425518D-01     
 12      4.2900000             -0.250853D+00     
 13      1.9090000             -0.333152D+00     
S   1
  1      0.6270000              1.0000000        
S   1
  1      0.2873000              1.0000000        
S   1
  1      0.1172000              1.0000000        
S   1
  1      0.0428000              1.0000000        
P   8
  1   1546.0000000              0.441183D-03     
  2    366.4000000              0.377571D-02     
  3    118.4000000              0.198360D-01     
  4     44.5300000              0.742063D-01     
  5     18.3800000              0.197327D+00     
  6      7.9650000              0.351851D+00     
  7      3.5410000              0.378687D+00     
  8      1.5910000              0.170931D+00     
P   8
  1   1546.0000000             -0.113110D-03     
  2    366.4000000             -0.958581D-03     
  3    118.4000000             -0.513471D-02     
  4     44.5300000             -0.192641D-01     
  5     18.3800000             -0.535980D-01     
  6      7.9650000             -0.960333D-01     
  7      3.5410000             -0.118183D+00     
  8      1.5910000              0.923194D-02     
P   1
  1      0.6205000              1.0000000        
P   1
  1      0.2420000              1.0000000        
P   1
  1      0.0901400              1.0000000        
P   1
  1      0.0317000              1.0000000        
D   1
  1      4.1590000              1.0000000        
D   1
  1      1.0190000              1.0000000        
D   1
  1      0.4640000              1.0000000        
D   1
  1      0.1940000              1.0000000        
D   1
  1      0.0722000              1.0000000        
F   1
  1      0.3350000              1.0000000        
F   1
  1      0.8690000              1.0000000        
F   1
  1      0.1400000              1.0000000        
G   1
  1      0.6830000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: Cl
data:
CHLORINE
S   13
  1 834900.0000000              0.231688D-04     
  2 125000.0000000              0.180154D-03     
  3  28430.0000000              0.947782D-03     
  4   8033.0000000              0.400139D-02     
  5   2608.0000000              0.144629D-01     
  6    933.9000000              0.456586D-01     
  7    360.0000000              0.123248D+00     
  8    147.0000000              0.264369D+00     
  9     62.8800000              0.382989D+00     
 10     27.6000000              0.270934D+00     
 11     11.0800000              0.471404D-01     
 12      5.0750000             -0.371766D-02     
 13      2.2780000              0.219158D-02     
S   13
  1 834900.0000000             -0.649649D-05     
  2 125000.0000000             -0.504895D-04     
  3  28430.0000000             -0.266113D-03     
  4   8033.0000000             -0.112499D-02     
  5   2608.0000000             -0.410497D-02     
  6    933.9000000             -0.131987D-01     
  7    360.0000000             -0.375342D-01     
  8    147.0000000             -0.897233D-01     
  9     62.8800000             -0.167671D+00     
 10     27.6000000             -0.174763D+00     
 11     11.0800000              0.114909D+00     
 12      5.0750000              0.563618D+00     
 13      2.2780000              0.441606D+00     
S   13
  1 834900.0000000              0.196645D-05     
  2 125000.0000000              0.152620D-04     
  3  28430.0000000              0.806086D-04     
  4   8033.0000000              0.339960D-03     
  5   2608.0000000              0.124551D-02     
  6    933.9000000              0.399612D-02     
  7    360.0000000              0.114751D-01     
  8    147.0000000              0.275504D-01     
  9     62.8800000              0.532917D-01     
 10     27.6000000              0.571246D-01     
 11     11.0800000             -0.395201D-01     
 12      5.0750000             -0.264343D+00     
 13      2.2780000             -0.349291D+00     
S   1
  1      0.7775000              1.0000000        
S   1
  1      0.3527000              1.0000000        
S   1
  1      0.1431000              1.0000000        
S   1
  1      0.0519000              1.0000000        
P   8
  1   1703.0000000              0.474039D-03     
  2    403.6000000              0.406412D-02     
  3    130.3000000              0.213355D-01     
  4     49.0500000              0.794611D-01     
  5     20.2600000              0.208927D+00     
  6      8.7870000              0.364945D+00     
  7      3.9190000              0.371725D+00     
  8      1.7650000              0.146292D+00     
P   8
  1   1703.0000000             -0.128266D-03     
  2    403.6000000             -0.109356D-02     
  3    130.3000000             -0.583429D-02     
  4     49.0500000             -0.219258D-01     
  5     20.2600000             -0.601385D-01     
  6      8.7870000             -0.106929D+00     
  7      3.9190000             -0.122454D+00     
  8      1.7650000              0.383619D-01     
P   1
  1      0.7207000              1.0000000        
P   1
  1      0.2839000              1.0000000        
P   1
  1      0.1060000              1.0000000        
P   1
  1      0.0376000              1.0000000        
D   1
  1      5.1910000              1.0000000        
D   1
  1      1.2760000              1.0000000        
D   1
  1      0.5830000              1.0000000        
D   1
  1      0.2430000              1.0000000        
D   1
  1      0.0912000              1.0000000        
F   1
  1      0.4230000              1.0000000        
F   1
  1      1.0890000              1.0000000        
F   1
  1      0.2170000              1.0000000        
G   1
  1      0.8270000              1.0000000        


name: jun-cc-pV(Q+d)Z
description: jun-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers
elt: Ar
data:
ARGON
S   13
  1 950600.0000000              0.227545D-04     
  2 142300.0000000              0.176945D-03     
  3  32360.0000000              0.931282D-03     
  4   9145.0000000              0.392860D-02     
  5   2970.0000000              0.142064D-01     
  6   1064.0000000              0.448114D-01     
  7    410.8000000              0.121001D+00     
  8    168.0000000              0.260579D+00     
  9     71.9900000              0.381364D+00     
 10     31.6700000              0.276058D+00     
 11     12.8900000              0.505179D-01     
 12      5.9290000             -0.359866D-02     
 13      2.6780000              0.218798D-02     
S   13
  1 950600.0000000             -0.646201D-05     
  2 142300.0000000             -0.502346D-04     
  3  32360.0000000             -0.264804D-03     
  4   9145.0000000             -0.111895D-02     
  5   2970.0000000             -0.408276D-02     
  6   1064.0000000             -0.131216D-01     
  7    410.8000000             -0.372855D-01     
  8    168.0000000             -0.894709D-01     
  9     71.9900000             -0.168054D+00     
 10     31.6700000             -0.179594D+00     
 11     12.8900000              0.102953D+00     
 12      5.9290000              0.562630D+00     
 13      2.6780000              0.450355D+00     
S   13
  1 950600.0000000              0.202056D-05     
  2 142300.0000000              0.156851D-04     
  3  32360.0000000              0.828617D-04     
  4   9145.0000000              0.349264D-03     
  5   2970.0000000              0.127976D-02     
  6   1064.0000000              0.410365D-02     
  7    410.8000000              0.117789D-01     
  8    168.0000000              0.283868D-01     
  9     71.9900000              0.552406D-01     
 10     31.6700000              0.607492D-01     
 11     12.8900000             -0.362012D-01     
 12      5.9290000             -0.275398D+00     
 13      2.6780000             -0.362845D+00     
S   1
  1      0.9416000              1.0000000        
S   1
  1      0.4239000              1.0000000        
S   1
  1      0.1714000              1.0000000        
S   1
  1      0.0610000              1.0000000        
P   8
  1   1890.0000000              0.495752D-03     
  2    447.8000000              0.425172D-02     
  3    144.6000000              0.223277D-01     
  4     54.4600000              0.830878D-01     
  5     22.5100000              0.217110D+00     
  6      9.7740000              0.374507D+00     
  7      4.3680000              0.366445D+00     
  8      1.9590000              0.129245D+00     
P   8
  1   1890.0000000             -0.138863D-03     
  2    447.8000000             -0.118870D-02     
  3    144.6000000             -0.632553D-02     
  4     54.4600000             -0.238813D-01     
  5     22.5100000             -0.649238D-01     
  6      9.7740000             -0.115444D+00     
  7      4.3680000             -0.123651D+00     
  8      1.9590000              0.649055D-01     
P   1
  1      0.8260000              1.0000000        
P   1
  1      0.3297000              1.0000000        
P   1
  1      0.1242000              1.0000000        
P   1
  1      0.0435000              1.0000000        
D   1
  1      6.3150000              1.0000000        
D   1
  1      1.5620000              1.0000000        
D   1
  1      0.7150000              1.0000000        
D   1
  1      0.2970000              1.0000000        
D   1
  1      0.1080000              1.0000000        
F   1
  1      0.5430000              1.0000000        
F   1
  1      1.3250000              1.0000000        
F   1
  1      0.2940000              1.0000000        
G   1
  1      1.0070000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: Li
data:
LITHIUM
S   9
  1   5988.0000000              0.0001330        
  2    898.9000000              0.0010250        
  3    205.9000000              0.0052720        
  4     59.2400000              0.0209290        
  5     19.8700000              0.0663400        
  6      7.4060000              0.1657750        
  7      2.9300000              0.3150380        
  8      1.1890000              0.3935230        
  9      0.4798000              0.1908700        
S   9
  1   5988.0000000             -0.0000210        
  2    898.9000000             -0.0001610        
  3    205.9000000             -0.0008200        
  4     59.2400000             -0.0033260        
  5     19.8700000             -0.0105190        
  6      7.4060000             -0.0280970        
  7      2.9300000             -0.0559360        
  8      1.1890000             -0.0992370        
  9      0.4798000             -0.1121890        
S   1
  1      0.0750900              1.0000000        
S   1
  1      0.0283200              1.0000000        
S   1
  1      0.0076000              1.0000000        
P   3
  1      3.2660000              0.0086300        
  2      0.6511000              0.0475380        
  3      0.1696000              0.2097720        
P   1
  1      0.0557800              1.0000000        
P   1
  1      0.0205000              1.0000000        
P   1
  1      0.0091000              1.0000000        
D   1
  1      0.1874000              1.0000000        
D   1
  1      0.0801000              1.0000000        
D   1
  1      0.0371000              1.0000000        
F   1
  1      0.1829000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: Be
data:
BERYLLIUM
S   9
  1   6863.0000000              0.0002360        
  2   1030.0000000              0.0018260        
  3    234.7000000              0.0094520        
  4     66.5600000              0.0379570        
  5     21.6900000              0.1199650        
  6      7.7340000              0.2821620        
  7      2.9160000              0.4274040        
  8      1.1300000              0.2662780        
  9      0.1101000             -0.0072750        
S   9
  1   6863.0000000             -0.0000430        
  2   1030.0000000             -0.0003330        
  3    234.7000000             -0.0017360        
  4     66.5600000             -0.0070120        
  5     21.6900000             -0.0231260        
  6      7.7340000             -0.0581380        
  7      2.9160000             -0.1145560        
  8      1.1300000             -0.1359080        
  9      0.1101000              0.5774410        
S   1
  1      0.2577000              1.0000000        
S   1
  1      0.0440900              1.0000000        
S   1
  1      0.0150300              1.0000000        
P   3
  1      7.4360000              0.0107360        
  2      1.5770000              0.0628540        
  3      0.4352000              0.2481800        
P   1
  1      0.1438000              1.0000000        
P   1
  1      0.0499400              1.0000000        
P   1
  1      0.0070600              1.0000000        
D   1
  1      0.3480000              1.0000000        
D   1
  1      0.1803000              1.0000000        
D   1
  1      0.0654000              1.0000000        
F   1
  1      0.3250000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: B
data:
BORON
S   8
  1   5473.0000000              0.0005550        
  2    820.9000000              0.0042910        
  3    186.8000000              0.0219490        
  4     52.8300000              0.0844410        
  5     17.0800000              0.2385570        
  6      5.9990000              0.4350720        
  7      2.2080000              0.3419550        
  8      0.2415000             -0.0095450        
S   8
  1   5473.0000000             -0.0001120        
  2    820.9000000             -0.0008680        
  3    186.8000000             -0.0044840        
  4     52.8300000             -0.0176830        
  5     17.0800000             -0.0536390        
  6      5.9990000             -0.1190050        
  7      2.2080000             -0.1658240        
  8      0.2415000              0.5959810        
S   1
  1      0.5879000              1.0000000        
S   1
  1      0.0861000              1.0000000        
S   1
  1      0.0291400              1.0000000        
P   3
  1     12.0500000              0.0131180        
  2      2.6130000              0.0798960        
  3      0.7475000              0.2772750        
P   1
  1      0.2385000              1.0000000        
P   1
  1      0.0769800              1.0000000        
P   1
  1      0.0209600              1.0000000        
D   1
  1      0.6610000              1.0000000        
D   1
  1      0.1990000              1.0000000        
D   1
  1      0.0604000              1.0000000        
F   1
  1      0.4900000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: C
data:
CARBON
S   8
  1   8236.0000000              0.0005310        
  2   1235.0000000              0.0041080        
  3    280.8000000              0.0210870        
  4     79.2700000              0.0818530        
  5     25.5900000              0.2348170        
  6      8.9970000              0.4344010        
  7      3.3190000              0.3461290        
  8      0.3643000             -0.0089830        
S   8
  1   8236.0000000             -0.0001130        
  2   1235.0000000             -0.0008780        
  3    280.8000000             -0.0045400        
  4     79.2700000             -0.0181330        
  5     25.5900000             -0.0557600        
  6      8.9970000             -0.1268950        
  7      3.3190000             -0.1703520        
  8      0.3643000              0.5986840        
S   1
  1      0.9059000              1.0000000        
S   1
  1      0.1285000              1.0000000        
S   1
  1      0.0440200              1.0000000        
P   3
  1     18.7100000              0.0140310        
  2      4.1330000              0.0868660        
  3      1.2000000              0.2902160        
P   1
  1      0.3827000              1.0000000        
P   1
  1      0.1209000              1.0000000        
P   1
  1      0.0356900              1.0000000        
D   1
  1      1.0970000              1.0000000        
D   1
  1      0.3180000              1.0000000        
D   1
  1      0.1000000              1.0000000        
F   1
  1      0.7610000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: N
data:
NITROGEN
S   8
  1  11420.0000000              0.0005230        
  2   1712.0000000              0.0040450        
  3    389.3000000              0.0207750        
  4    110.0000000              0.0807270        
  5     35.5700000              0.2330740        
  6     12.5400000              0.4335010        
  7      4.6440000              0.3474720        
  8      0.5118000             -0.0085080        
S   8
  1  11420.0000000             -0.0001150        
  2   1712.0000000             -0.0008950        
  3    389.3000000             -0.0046240        
  4    110.0000000             -0.0185280        
  5     35.5700000             -0.0573390        
  6     12.5400000             -0.1320760        
  7      4.6440000             -0.1725100        
  8      0.5118000              0.5999440        
S   1
  1      1.2930000              1.0000000        
S   1
  1      0.1787000              1.0000000        
S   1
  1      0.0576000              1.0000000        
P   3
  1     26.6300000              0.0146700        
  2      5.9480000              0.0917640        
  3      1.7420000              0.2986830        
P   1
  1      0.5550000              1.0000000        
P   1
  1      0.1725000              1.0000000        
P   1
  1      0.0491000              1.0000000        
D   1
  1      1.6540000              1.0000000        
D   1
  1      0.4690000              1.0000000        
D   1
  1      0.1510000              1.0000000        
F   1
  1      1.0930000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: O
data:
OXYGEN
S   8
  1  15330.0000000              0.0005080        
  2   2299.0000000              0.0039290        
  3    522.4000000              0.0202430        
  4    147.3000000              0.0791810        
  5     47.5500000              0.2306870        
  6     16.7600000              0.4331180        
  7      6.2070000              0.3502600        
  8      0.6882000             -0.0081540        
S   8
  1  15330.0000000             -0.0001150        
  2   2299.0000000             -0.0008950        
  3    522.4000000             -0.0046360        
  4    147.3000000             -0.0187240        
  5     47.5500000             -0.0584630        
  6     16.7600000             -0.1364630        
  7      6.2070000             -0.1757400        
  8      0.6882000              0.6034180        
S   1
  1      1.7520000              1.0000000        
S   1
  1      0.2384000              1.0000000        
S   1
  1      0.0737600              1.0000000        
P   3
  1     34.4600000              0.0159280        
  2      7.7490000              0.0997400        
  3      2.2800000              0.3104920        
P   1
  1      0.7156000              1.0000000        
P   1
  1      0.2140000              1.0000000        
P   1
  1      0.0597400              1.0000000        
D   1
  1      2.3140000              1.0000000        
D   1
  1      0.6450000              1.0000000        
D   1
  1      0.2140000              1.0000000        
F   1
  1      1.4280000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: F
data:
FLUORINE
S   8
  1  19500.0000000              0.0005070        
  2   2923.0000000              0.0039230        
  3    664.5000000              0.0202000        
  4    187.5000000              0.0790100        
  5     60.6200000              0.2304390        
  6     21.4200000              0.4328720        
  7      7.9500000              0.3499640        
  8      0.8815000             -0.0078920        
S   8
  1  19500.0000000             -0.0001170        
  2   2923.0000000             -0.0009120        
  3    664.5000000             -0.0047170        
  4    187.5000000             -0.0190860        
  5     60.6200000             -0.0596550        
  6     21.4200000             -0.1400100        
  7      7.9500000             -0.1767820        
  8      0.8815000              0.6050430        
S   1
  1      2.2570000              1.0000000        
S   1
  1      0.3041000              1.0000000        
S   1
  1      0.0915800              1.0000000        
P   3
  1     43.8800000              0.0166650        
  2      9.9260000              0.1044720        
  3      2.9300000              0.3172600        
P   1
  1      0.9132000              1.0000000        
P   1
  1      0.2672000              1.0000000        
P   1
  1      0.0736100              1.0000000        
D   1
  1      3.1070000              1.0000000        
D   1
  1      0.8550000              1.0000000        
D   1
  1      0.2920000              1.0000000        
F   1
  1      1.9170000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: Ne
data:
NEON
S   8
  1  24350.0000000              0.0005020        
  2   3650.0000000              0.0038810        
  3    829.6000000              0.0199970        
  4    234.0000000              0.0784180        
  5     75.6100000              0.2296760        
  6     26.7300000              0.4327220        
  7      9.9270000              0.3506420        
  8      1.1020000             -0.0076450        
S   8
  1  24350.0000000             -0.0001180        
  2   3650.0000000             -0.0009150        
  3    829.6000000             -0.0047370        
  4    234.0000000             -0.0192330        
  5     75.6100000             -0.0603690        
  6     26.7300000             -0.1425080        
  7      9.9270000             -0.1777100        
  8      1.1020000              0.6058360        
S   1
  1      2.8360000              1.0000000        
S   1
  1      0.3782000              1.0000000        
S   1
  1      0.1133000              1.0000000        
P   3
  1     54.7000000              0.0171510        
  2     12.4300000              0.1076560        
  3      3.6790000              0.3216810        
P   1
  1      1.1430000              1.0000000        
P   1
  1      0.3300000              1.0000000        
P   1
  1      0.0917500              1.0000000        
D   1
  1      4.0140000              1.0000000        
D   1
  1      1.0960000              1.0000000        
D   1
  1      0.3860000              1.0000000        
F   1
  1      2.5440000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: Na
data:
SODIUM
S   14
  1 423000.0000000              0.180618D-04     
  2  63340.0000000              0.140430D-03     
  3  14410.0000000              0.738438D-03     
  4   4077.0000000              0.311182D-02     
  5   1328.0000000              0.112081D-01     
  6    478.6000000              0.352828D-01     
  7    186.2000000              0.959897D-01     
  8     76.9200000              0.213735D+00     
  9     33.3200000              0.348688D+00     
 10     15.0000000              0.324566D+00     
 11      6.8690000              0.112633D+00     
 12      2.6830000              0.706797D-02     
 13      1.1090000              0.598010D-03     
 14      0.0601500             -0.530870D-05     
S   14
  1 423000.0000000             -0.440653D-05     
  2  63340.0000000             -0.343443D-04     
  3  14410.0000000             -0.180114D-03     
  4   4077.0000000             -0.763900D-03     
  5   1328.0000000             -0.275248D-02     
  6    478.6000000             -0.886016D-02     
  7    186.2000000             -0.247939D-01     
  8     76.9200000             -0.605995D-01     
  9     33.3200000             -0.116446D+00     
 10     15.0000000             -0.162437D+00     
 11      6.8690000             -0.438891D-01     
 12      2.6830000              0.337917D+00     
 13      1.1090000              0.561347D+00     
 14      0.0601500              0.406754D-02     
S   14
  1 423000.0000000              0.663019D-06     
  2  63340.0000000              0.515769D-05     
  3  14410.0000000              0.271250D-04     
  4   4077.0000000              0.114635D-03     
  5   1328.0000000              0.415118D-03     
  6    478.6000000              0.132978D-02     
  7    186.2000000              0.375595D-02     
  8     76.9200000              0.914025D-02     
  9     33.3200000              0.179859D-01     
 10     15.0000000              0.251477D-01     
 11      6.8690000              0.763522D-02     
 12      2.6830000             -0.614589D-01     
 13      1.1090000             -0.115721D+00     
 14      0.0601500              0.626406D+00     
S   1
  1      0.4540000              1.0000000        
S   1
  1      0.0238200              1.0000000        
S   1
  1      0.0066500              1.0000000        
P   8
  1    243.3000000              0.224392D-02     
  2     57.3900000              0.173997D-01     
  3     18.1000000              0.774125D-01     
  4      6.5750000              0.219102D+00     
  5      2.5210000              0.378522D+00     
  6      0.9607000              0.394902D+00     
  7      0.3512000              0.160424D+00     
  8      0.0982700              0.233311D-02     
P   8
  1    243.3000000             -0.222401D-03     
  2     57.3900000             -0.174277D-02     
  3     18.1000000             -0.775456D-02     
  4      6.5750000             -0.225187D-01     
  5      2.5210000             -0.384330D-01     
  6      0.9607000             -0.450177D-01     
  7      0.3512000             -0.192132D-01     
  8      0.0982700              0.182697D+00     
P   1
  1      0.0373400              1.0000000        
P   1
  1      0.0150000              1.0000000        
P   1
  1      0.0070000              1.0000000        
D   1
  1      0.1367000              1.0000000        
D   1
  1      0.0636000              1.0000000        
D   1
  1      0.0223000              1.0000000        
F   1
  1      0.1397000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: Mg
data:
MAGNESIUM
S   13
  1 164900.0000000              0.729929D-04     
  2  24710.0000000              0.566652D-03     
  3   5628.0000000              0.296269D-02     
  4   1596.0000000              0.122962D-01     
  5    521.0000000              0.427324D-01     
  6    188.0000000              0.123013D+00     
  7     73.0100000              0.274832D+00     
  8     29.9000000              0.401818D+00     
  9     12.5400000              0.264697D+00     
 10      4.3060000              0.332612D-01     
 11      1.8260000             -0.441335D-02     
 12      0.7417000              0.206024D-02     
 13      0.0761200              0.708195D-03     
S   13
  1 164900.0000000             -0.184248D-04     
  2  24710.0000000             -0.143500D-03     
  3   5628.0000000             -0.748710D-03     
  4   1596.0000000             -0.314407D-02     
  5    521.0000000             -0.110481D-01     
  6    188.0000000             -0.336058D-01     
  7     73.0100000             -0.825946D-01     
  8     29.9000000             -0.159314D+00     
  9     12.5400000             -0.152888D+00     
 10      4.3060000              0.190849D+00     
 11      1.8260000              0.579964D+00     
 12      0.7417000              0.372029D+00     
 13      0.0761200             -0.119344D-01     
S   13
  1 164900.0000000              0.355176D-05     
  2  24710.0000000              0.276420D-04     
  3   5628.0000000              0.144404D-03     
  4   1596.0000000              0.605744D-03     
  5    521.0000000              0.213527D-02     
  6    188.0000000              0.649934D-02     
  7     73.0100000              0.161446D-01     
  8     29.9000000              0.315766D-01     
  9     12.5400000              0.316374D-01     
 10      4.3060000             -0.439140D-01     
 11      1.8260000             -0.151093D+00     
 12      0.7417000             -0.217668D+00     
 13      0.0761200              0.547245D+00     
S   1
  1      0.1457000              1.0000000        
S   1
  1      0.0331000              1.0000000        
S   1
  1      0.0129000              1.0000000        
P   8
  1    316.9000000              0.207532D-02     
  2     74.8600000              0.162869D-01     
  3     23.7200000              0.738697D-01     
  4      8.6690000              0.214297D+00     
  5      3.3630000              0.382154D+00     
  6      1.3100000              0.398178D+00     
  7      0.4911000              0.152878D+00     
  8      0.2364000             -0.437540D-02     
P   8
  1    316.9000000             -0.329727D-03     
  2     74.8600000             -0.258754D-02     
  3     23.7200000             -0.119120D-01     
  4      8.6690000             -0.350227D-01     
  5      3.3630000             -0.639968D-01     
  6      1.3100000             -0.704436D-01     
  7      0.4911000             -0.375836D-01     
  8      0.2364000              0.177043D+00     
P   1
  1      0.0873300              1.0000000        
P   1
  1      0.0323700              1.0000000        
P   1
  1      0.0074500              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.2940000              1.0000000        
D   1
  1      0.0468000              1.0000000        
F   1
  1      0.2520000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: Al
data:
ALUMINUM
S   13
  1 205500.0000000              0.678836D-04     
  2  30780.0000000              0.527149D-03     
  3   7006.0000000              0.276203D-02     
  4   1985.0000000              0.114728D-01     
  5    649.1000000              0.398188D-01     
  6    235.0000000              0.115040D+00     
  7     91.6200000              0.260887D+00     
  8     37.6700000              0.396386D+00     
  9     15.9100000              0.284597D+00     
 10      5.8500000              0.444583D-01     
 11      2.5420000             -0.489838D-02     
 12      1.0570000              0.261253D-02     
 13      0.1455000              0.722068D-03     
S   13
  1 205500.0000000             -0.176377D-04     
  2  30780.0000000             -0.137195D-03     
  3   7006.0000000             -0.718910D-03     
  4   1985.0000000             -0.301146D-02     
  5    649.1000000             -0.106014D-01     
  6    235.0000000             -0.321345D-01     
  7     91.6200000             -0.803156D-01     
  8     37.6700000             -0.156794D+00     
  9     15.9100000             -0.168376D+00     
 10      5.8500000              0.126879D+00     
 11      2.5420000              0.561494D+00     
 12      1.0570000              0.436613D+00     
 13      0.1455000             -0.114563D-01     
S   13
  1 205500.0000000              0.407315D-05     
  2  30780.0000000              0.316566D-04     
  3   7006.0000000              0.166116D-03     
  4   1985.0000000              0.694992D-03     
  5    649.1000000              0.245511D-02     
  6    235.0000000              0.744598D-02     
  7     91.6200000              0.188253D-01     
  8     37.6700000              0.372772D-01     
  9     15.9100000              0.419496D-01     
 10      5.8500000             -0.354375D-01     
 11      2.5420000             -0.175132D+00     
 12      1.0570000             -0.276203D+00     
 13      0.1455000              0.652809D+00     
S   1
  1      0.2931000              1.0000000        
S   1
  1      0.0565000              1.0000000        
S   1
  1      0.0221000              1.0000000        
P   7
  1    444.4000000              0.162786D-02     
  2    105.1000000              0.130687D-01     
  3     33.4700000              0.612341D-01     
  4     12.3300000              0.187870D+00     
  5      4.8690000              0.360452D+00     
  6      1.9610000              0.408454D+00     
  7      0.1888000              0.976514D-02     
P   7
  1    444.4000000             -0.286341D-03     
  2    105.1000000             -0.242308D-02     
  3     33.4700000             -0.108658D-01     
  4     12.3300000             -0.364307D-01     
  5      4.8690000             -0.641074D-01     
  6      1.9610000             -0.972239D-01     
  7      0.1888000              0.503448D+00     
P   1
  1      0.7834000              1.0000000        
P   1
  1      0.0555700              1.0000000        
P   1
  1      0.0146000              1.0000000        
D   1
  1      1.5700000              1.0000000        
D   1
  1      0.3330000              1.0000000        
D   1
  1      0.1110000              1.0000000        
D   1
  1      0.0357000              1.0000000        
F   1
  1      0.2440000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: Si
data:
SILICON
S   13
  1 254900.0000000              0.625101D-04     
  2  38190.0000000              0.485553D-03     
  3   8690.0000000              0.254516D-02     
  4   2462.0000000              0.105866D-01     
  5    804.8000000              0.368787D-01     
  6    291.3000000              0.107479D+00     
  7    113.6000000              0.247936D+00     
  8     46.7500000              0.390927D+00     
  9     19.8200000              0.302026D+00     
 10      7.7080000              0.559236D-01     
 11      3.3400000             -0.402406D-02     
 12      1.4020000              0.258030D-02     
 13      0.2070000              0.607930D-03     
S   13
  1 254900.0000000             -0.166370D-04     
  2  38190.0000000             -0.129310D-03     
  3   8690.0000000             -0.678828D-03     
  4   2462.0000000             -0.284117D-02     
  5    804.8000000             -0.100551D-01     
  6    291.3000000             -0.305774D-01     
  7    113.6000000             -0.777256D-01     
  8     46.7500000             -0.154236D+00     
  9     19.8200000             -0.180368D+00     
 10      7.7080000              0.798218D-01     
 11      3.3400000              0.547441D+00     
 12      1.4020000              0.480119D+00     
 13      0.2070000             -0.106996D-01     
S   13
  1 254900.0000000              0.426257D-05     
  2  38190.0000000              0.331062D-04     
  3   8690.0000000              0.174015D-03     
  4   2462.0000000              0.727574D-03     
  5    804.8000000              0.258333D-02     
  6    291.3000000              0.786354D-02     
  7    113.6000000              0.202155D-01     
  8     46.7500000              0.407320D-01     
  9     19.8200000              0.499358D-01     
 10      7.7080000             -0.249396D-01     
 11      3.3400000             -0.190350D+00     
 12      1.4020000             -0.318350D+00     
 13      0.2070000              0.681180D+00     
S   1
  1      0.4387000              1.0000000        
S   1
  1      0.0794400              1.0000000        
S   1
  1      0.0330000              1.0000000        
P   7
  1    481.5000000              0.192045D-02     
  2    113.9000000              0.153552D-01     
  3     36.2300000              0.713991D-01     
  4     13.3400000              0.213052D+00     
  5      5.2520000              0.390354D+00     
  6      2.1200000              0.393721D+00     
  7      0.2528000              0.395630D-02     
P   7
  1    481.5000000             -0.405220D-03     
  2    113.9000000             -0.335896D-02     
  3     36.2300000             -0.152860D-01     
  4     13.3400000             -0.489218D-01     
  5      5.2520000             -0.855008D-01     
  6      2.1200000             -0.112137D+00     
  7      0.2528000              0.551919D+00     
P   1
  1      0.8561000              1.0000000        
P   1
  1      0.0788900              1.0000000        
P   1
  1      0.0237000              1.0000000        
D   1
  1      2.3030000              1.0000000        
D   1
  1      0.4760000              1.0000000        
D   1
  1      0.1600000              1.0000000        
D   1
  1      0.0551000              1.0000000        
F   1
  1      0.3360000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: P
data:
PHOSPHOROUS
S   13
  1 312400.0000000              0.576960D-04     
  2  46800.0000000              0.448296D-03     
  3  10650.0000000              0.234939D-02     
  4   3018.0000000              0.978265D-02     
  5    986.8000000              0.341467D-01     
  6    357.4000000              0.100204D+00     
  7    139.6000000              0.234372D+00     
  8     57.6300000              0.382434D+00     
  9     24.6000000              0.318088D+00     
 10     10.1200000              0.707788D-01     
 11      4.2830000             -0.181799D-02     
 12      1.8050000              0.216180D-02     
 13      0.2782000              0.432297D-03     
S   13
  1 312400.0000000             -0.156709D-04     
  2  46800.0000000             -0.121724D-03     
  3  10650.0000000             -0.639672D-03     
  4   3018.0000000             -0.267426D-02     
  5    986.8000000             -0.949831D-02     
  6    357.4000000             -0.289349D-01     
  7    139.6000000             -0.745121D-01     
  8     57.6300000             -0.149938D+00     
  9     24.6000000             -0.189467D+00     
 10     10.1200000              0.363270D-01     
 11      4.2830000              0.528816D+00     
 12      1.8050000              0.519115D+00     
 13      0.2782000             -0.925695D-02     
S   13
  1 312400.0000000              0.430631D-05     
  2  46800.0000000              0.334194D-04     
  3  10650.0000000              0.175885D-03     
  4   3018.0000000              0.734340D-03     
  5    986.8000000              0.261775D-02     
  6    357.4000000              0.797852D-02     
  7    139.6000000              0.207940D-01     
  8     57.6300000              0.424446D-01     
  9     24.6000000              0.563436D-01     
 10     10.1200000             -0.127358D-01     
 11      4.2830000             -0.196495D+00     
 12      1.8050000             -0.353555D+00     
 13      0.2782000              0.700912D+00     
S   1
  1      0.6158000              1.0000000        
S   1
  1      0.1055000              1.0000000        
S   1
  1      0.0409000              1.0000000        
P   7
  1    504.9000000              0.233728D-02     
  2    119.4000000              0.185410D-01     
  3     37.9600000              0.849693D-01     
  4     13.9500000              0.244615D+00     
  5      5.4570000              0.422766D+00     
  6      2.1770000              0.368439D+00     
  7      0.2877000             -0.379005D-02     
P   7
  1    504.9000000             -0.555236D-03     
  2    119.4000000             -0.445913D-02     
  3     37.9600000             -0.206350D-01     
  4     13.9500000             -0.617694D-01     
  5      5.4570000             -0.108924D+00     
  6      2.1770000             -0.105599D+00     
  7      0.2877000              0.576981D+00     
P   1
  1      0.8010000              1.0000000        
P   1
  1      0.0971400              1.0000000        
P   1
  1      0.0307000              1.0000000        
D   1
  1      3.1200000              1.0000000        
D   1
  1      0.6480000              1.0000000        
D   1
  1      0.2180000              1.0000000        
D   1
  1      0.0775000              1.0000000        
F   1
  1      0.4520000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: S
data:
SULFUR
S   13
  1 374100.0000000              0.542140D-04     
  2  56050.0000000              0.420855D-03     
  3  12760.0000000              0.220698D-02     
  4   3615.0000000              0.919258D-02     
  5   1183.0000000              0.321123D-01     
  6    428.8000000              0.946683D-01     
  7    167.8000000              0.223630D+00     
  8     69.4700000              0.374393D+00     
  9     29.8400000              0.329108D+00     
 10     12.7200000              0.847038D-01     
 11      5.2440000              0.440851D-03     
 12      2.2190000              0.164827D-02     
 13      0.3490000              0.301306D-03     
S   13
  1 374100.0000000             -0.149837D-04     
  2  56050.0000000             -0.116198D-03     
  3  12760.0000000             -0.611583D-03     
  4   3615.0000000             -0.255370D-02     
  5   1183.0000000             -0.908708D-02     
  6    428.8000000             -0.277045D-01     
  7    167.8000000             -0.720020D-01     
  8     69.4700000             -0.146439D+00     
  9     29.8400000             -0.195150D+00     
 10     12.7200000              0.819193D-02     
 11      5.2440000              0.516601D+00     
 12      2.2190000              0.542178D+00     
 13      0.3490000             -0.918072D-02     
S   13
  1 374100.0000000              0.435066D-05     
  2  56050.0000000              0.337140D-04     
  3  12760.0000000              0.177674D-03     
  4   3615.0000000              0.741116D-03     
  5   1183.0000000              0.264591D-02     
  6    428.8000000              0.807487D-02     
  7    167.8000000              0.212276D-01     
  8     69.4700000              0.438323D-01     
  9     29.8400000              0.612716D-01     
 10     12.7200000             -0.361510D-02     
 11      5.2440000             -0.204510D+00     
 12      2.2190000             -0.381871D+00     
 13      0.3490000              0.714147D+00     
S   1
  1      0.7767000              1.0000000        
S   1
  1      0.1322000              1.0000000        
S   1
  1      0.0497000              1.0000000        
P   7
  1    574.4000000              0.242264D-02     
  2    135.8000000              0.192796D-01     
  3     43.1900000              0.885401D-01     
  4     15.8700000              0.254654D+00     
  5      6.2080000              0.433984D+00     
  6      2.4830000              0.354953D+00     
  7      0.3229000             -0.502977D-02     
P   7
  1    574.4000000             -0.620102D-03     
  2    135.8000000             -0.493882D-02     
  3     43.1900000             -0.232647D-01     
  4     15.8700000             -0.685195D-01     
  5      6.2080000             -0.123896D+00     
  6      2.4830000             -0.969499D-01     
  7      0.3229000              0.569394D+00     
P   1
  1      0.8688000              1.0000000        
P   1
  1      0.1098000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   1
  1      3.7560000              1.0000000        
D   1
  1      0.8120000              1.0000000        
D   1
  1      0.2730000              1.0000000        
D   1
  1      0.1010000              1.0000000        
F   1
  1      0.5570000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: Cl
data:
CHLORINE
S   13
  1 456100.0000000              0.492970D-04     
  2  68330.0000000              0.383029D-03     
  3  15550.0000000              0.200854D-02     
  4   4405.0000000              0.838558D-02     
  5   1439.0000000              0.294703D-01     
  6    520.4000000              0.878325D-01     
  7    203.1000000              0.211473D+00     
  8     83.9600000              0.365364D+00     
  9     36.2000000              0.340884D+00     
 10     15.8300000              0.102133D+00     
 11      6.3340000              0.311675D-02     
 12      2.6940000              0.105751D-02     
 13      0.4313000              0.156136D-03     
S   13
  1 456100.0000000             -0.138304D-04     
  2  68330.0000000             -0.107279D-03     
  3  15550.0000000             -0.565083D-03     
  4   4405.0000000             -0.236135D-02     
  5   1439.0000000             -0.845886D-02     
  6    520.4000000             -0.259638D-01     
  7    203.1000000             -0.686362D-01     
  8     83.9600000             -0.141874D+00     
  9     36.2000000             -0.199319D+00     
 10     15.8300000             -0.195662D-01     
 11      6.3340000              0.499741D+00     
 12      2.6940000              0.563736D+00     
 13      0.4313000             -0.835091D-02     
S   13
  1 456100.0000000              0.418546D-05     
  2  68330.0000000              0.324395D-04     
  3  15550.0000000              0.171105D-03     
  4   4405.0000000              0.714176D-03     
  5   1439.0000000              0.256705D-02     
  6    520.4000000              0.788552D-02     
  7    203.1000000              0.210867D-01     
  8     83.9600000              0.442264D-01     
  9     36.2000000              0.651670D-01     
 10     15.8300000              0.603012D-02     
 11      6.3340000             -0.206495D+00     
 12      2.6940000             -0.405871D+00     
 13      0.4313000              0.725661D+00     
S   1
  1      0.9768000              1.0000000        
S   1
  1      0.1625000              1.0000000        
S   1
  1      0.0591000              1.0000000        
P   7
  1    663.3000000              0.240448D-02     
  2    156.8000000              0.192148D-01     
  3     49.9800000              0.885097D-01     
  4     18.4200000              0.256020D+00     
  5      7.2400000              0.436927D+00     
  6      2.9220000              0.350334D+00     
  7      0.3818000             -0.458423D-02     
P   7
  1    663.3000000             -0.652145D-03     
  2    156.8000000             -0.519445D-02     
  3     49.9800000             -0.246938D-01     
  4     18.4200000             -0.728167D-01     
  5      7.2400000             -0.134030D+00     
  6      2.9220000             -0.947742D-01     
  7      0.3818000              0.564667D+00     
P   1
  1      1.0220000              1.0000000        
P   1
  1      0.1301000              1.0000000        
P   1
  1      0.0419000              1.0000000        
D   1
  1      4.6100000              1.0000000        
D   1
  1      1.0110000              1.0000000        
D   1
  1      0.3390000              1.0000000        
D   1
  1      0.1300000              1.0000000        
F   1
  1      0.7060000              1.0000000        


name: jun-cc-pV(T+d)Z
description: jun-cc-pV(T+d)Z basis set is a partially augmented cc-pV(T+d)Z basis set of Dunning and coworkers.
elt: Ar
data:
ARGON
S   13
  1 545000.0000000              0.455828D-04     
  2  81640.0000000              0.354108D-03     
  3  18580.0000000              0.185797D-02     
  4   5261.0000000              0.776851D-02     
  5   1717.0000000              0.274232D-01     
  6    619.9000000              0.823836D-01     
  7    241.6000000              0.201230D+00     
  8     99.7900000              0.356781D+00     
  9     43.1500000              0.349563D+00     
 10     19.1400000              0.118266D+00     
 11      7.4880000              0.560190D-02     
 12      3.2050000              0.483473D-03     
 13      0.5204000              0.292025D-04     
S   13
  1 545000.0000000             -0.129551D-04     
  2  81640.0000000             -0.100428D-03     
  3  18580.0000000             -0.529583D-03     
  4   5261.0000000             -0.221396D-02     
  5   1717.0000000             -0.796845D-02     
  6    619.9000000             -0.245803D-01     
  7    241.6000000             -0.657798D-01     
  8     99.7900000             -0.137942D+00     
  9     43.1500000             -0.201630D+00     
 10     19.1400000             -0.412834D-01     
 11      7.4880000              0.484680D+00     
 12      3.2050000              0.579224D+00     
 13      0.5204000             -0.727553D-02     
S   13
  1 545000.0000000              0.404990D-05     
  2  81640.0000000              0.313691D-04     
  3  18580.0000000              0.165646D-03     
  4   5261.0000000              0.691662D-03     
  5   1717.0000000              0.249790D-02     
  6    619.9000000              0.771074D-02     
  7    241.6000000              0.208714D-01     
  8     99.7900000              0.443965D-01     
  9     43.1500000              0.680224D-01     
 10     19.1400000              0.141350D-01     
 11      7.4880000             -0.207489D+00     
 12      3.2050000             -0.425045D+00     
 13      0.5204000              0.733627D+00     
S   1
  1      1.1960000              1.0000000        
S   1
  1      0.1954000              1.0000000        
S   1
  1      0.0685000              1.0000000        
P   7
  1    761.8000000              0.236976D-02     
  2    180.2000000              0.190199D-01     
  3     57.5000000              0.880807D-01     
  4     21.2400000              0.256377D+00     
  5      8.3880000              0.438711D+00     
  6      3.4160000              0.347569D+00     
  7      0.4523000             -0.523882D-02     
P   7
  1    761.8000000             -0.667211D-03     
  2    180.2000000             -0.532717D-02     
  3     57.5000000             -0.255494D-01     
  4     21.2400000             -0.757197D-01     
  5      8.3880000             -0.141133D+00     
  6      3.4160000             -0.932768D-01     
  7      0.4523000              0.562450D+00     
P   1
  1      1.2060000              1.0000000        
P   1
  1      0.1545000              1.0000000        
P   1
  1      0.0487000              1.0000000        
D   1
  1      5.5510000              1.0000000        
D   1
  1      1.2350000              1.0000000        
D   1
  1      0.4120000              1.0000000        
D   1
  1      0.1550000              1.0000000        
F   1
  1      0.8900000              1.0000000        


name: kr-augccpvqz
description: kr-augccpvqz
elt: Kr
data:
KRYPTON
S   14
  1  76661.6000000              0.0000470        
  2  11509.1000000              0.0003580        
  3   2619.7900000              0.0017640        
  4    740.0440000              0.0060970        
  5    235.3410000              0.0126810        
  6     42.3839000              0.1378460        
  7     26.5014000             -0.1928550        
  8     16.5732000             -0.2783680        
  9      4.5911400              0.5190560        
 10      2.4936800              0.5345950        
 11      1.3510500              0.1594050        
 12      0.5872400              0.0085050        
 13      0.2708180              0.0001310        
 14      0.1203850              0.0002810        
S   14
  1  76661.6000000             -0.0000210        
  2  11509.1000000             -0.0001560        
  3   2619.7900000             -0.0007870        
  4    740.0440000             -0.0026470        
  5    235.3410000             -0.0058210        
  6     42.3839000             -0.0565500        
  7     26.5014000              0.0888470        
  8     16.5732000              0.0988730        
  9      4.5911400             -0.2533780        
 10      2.4936800             -0.4308890        
 11      1.3510500             -0.1143080        
 12      0.5872400              0.5300020        
 13      0.2708180              0.5956080        
 14      0.1203850              0.1530680        
S   1
  1      1.3510500              1.0000000        
S   1
  1      0.5872400              1.0000000        
S   1
  1      0.2708180              1.0000000        
S   1
  1      0.1203850              1.0000000        
S   1
  1      0.0455000              1.0000000        
P   11
  1    546.9030000              0.0005220        
  2    106.9980000              0.0047140        
  3     46.5133000              0.0065750        
  4     29.0722000             -0.0943870        
  5      8.1471300              0.3012610        
  6      4.1953500              0.4704050        
  7      2.1482200              0.2947310        
  8      1.0521500              0.0550150        
  9      0.4777450              0.0014310        
 10      0.2081680              0.0005320        
 11      0.0868240             -0.0000840        
P   11
  1    546.9030000             -0.0001530        
  2    106.9980000             -0.0016280        
  3     46.5133000             -0.0003650        
  4     29.0722000              0.0264490        
  5      8.1471300             -0.1062780        
  6      4.1953500             -0.1674120        
  7      2.1482200             -0.1298020        
  8      1.0521500              0.1675570        
  9      0.4777450              0.4593210        
 10      0.2081680              0.4297820        
 11      0.0868240              0.1389090        
P   1
  1      0.4777450              1.0000000        
P   1
  1      0.2081680              1.0000000        
P   1
  1      0.0868240              1.0000000        
P   1
  1      0.0337000              1.0000000        
D   11
  1   1171.0600000              0.0001150        
  2    355.3510000              0.0011940        
  3    139.6840000              0.0078820        
  4     64.0219000              0.0367930        
  5     31.8343000              0.0962870        
  6     16.1423000              0.1925500        
  7      8.3345400              0.2869610        
  8      4.2994000              0.3181250        
  9      2.1954300              0.2409670        
 10      1.0750800              0.0989100        
 11      0.4575000              0.0139290        
D   1
  1      1.0750800              1.0000000        
D   1
  1      0.4575000              1.0000000        
D   1
  1      0.1965000              1.0000000        
D   1
  1      0.0897000              1.0000000        
F   1
  1      0.9596000              1.0000000        
F   1
  1      0.4170000              1.0000000        
F   1
  1      0.2033000              1.0000000        
G   1
  1      0.7504000              1.0000000        
G   1
  1      0.3532000              1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Ti
data:
TITANIUM
S   6
  1  43152.950000000            0.00179187       
  2   6479.571000000            0.01372392       
  3   1475.675000000            0.06762830       
  4    415.699100000            0.23376420       
  5    133.000600000            0.48106960       
  6     45.272220000            0.34622800       
L   6
  1    874.682600000            0.00243101             0.00401768       
  2    207.978500000            0.03233027             0.03113966       
  3     66.879180000            0.12425200             0.13490770       
  4     24.873470000           -0.03903905             0.34316720       
  5      9.968441000           -0.61717890             0.46257600       
  6      4.063826000           -0.44730970             0.21546030       
L   6
  1     33.643630000           -0.00294036            -0.00631162       
  2     10.875650000            0.07163103            -0.02697638       
  3      4.628225000            0.25289150             0.05316847       
  4      1.950126000           -0.29664010             0.38455490       
  5      0.809452000           -0.74322150             0.51276620       
  6      0.320474000           -0.18535200             0.18111350       
L   3
  1      1.224148000            0.06351465            -0.21120700       
  2      0.484263000            0.31514040             0.07771998       
  3      0.084096000           -1.16259500             0.98982140       
L   1
  1      0.032036000            1.00000000             1.00000000       
D   3
  1     11.3802872735           0.1000655567     
  2      2.8785653801           0.4084975315     
  3      0.8146824263           0.6922977301     
D   1
  1      0.2106293041           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: V
data:
VANADIUM
S   6
  1  47354.330000000            0.00178451       
  2   7110.787000000            0.01366754       
  3   1619.591000000            0.06736122       
  4    456.337900000            0.23305520       
  5    146.060600000            0.48063160       
  6     49.757910000            0.34748020       
L   6
  1    968.148400000            0.00241060             0.00399500       
  2    230.282100000            0.03207243             0.03104061       
  3     74.145910000            0.12459420             0.13477470       
  4     27.641070000           -0.03482177             0.34372790       
  5     11.114750000           -0.61673740             0.46287590       
  6      4.543113000           -0.45098440             0.21355470       
L   6
  1     37.640500000           -0.00323320            -0.00649406       
  2     12.282380000            0.07130744            -0.02753453       
  3      5.233366000            0.25438200             0.05516284       
  4      2.208950000           -0.29338870             0.38796720       
  5      0.917880000           -0.74156950             0.50902580       
  6      0.363412000           -0.19094100             0.18038400       
L   3
  1      1.392781000            0.06139703            -0.18912650       
  2      0.543913000            0.30611300             0.08005453       
  3      0.091476000           -1.15489000             0.98773990       
L   1
  1      0.034312000            1.00000000             1.00000000       
D   3
  1     13.3595274176           0.1006487662     
  2      3.4113944966           0.4115551152     
  3      0.9739061412           0.6875734800     
D   1
  1      0.2522224358           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Cr
data:
CHROMIUM
S   6
  1  51789.810000000            0.00177618       
  2   7776.849000000            0.01360476       
  3   1771.385000000            0.06706925       
  4    499.158800000            0.23231040       
  5    159.798200000            0.48024100       
  6     54.470210000            0.34876530       
L   6
  1   1064.328000000            0.00239967             0.00398700       
  2    253.213800000            0.03194886             0.03104662       
  3     81.609240000            0.12508680             0.13505180       
  4     30.481930000           -0.03221866             0.34488650       
  5     12.294390000           -0.61722840             0.46285710       
  6      5.037722000           -0.45259360             0.21104260       
L   6
  1     41.562910000           -0.00345422            -0.00672250       
  2     13.676270000            0.07218428            -0.02806471       
  3      5.844390000            0.25448200             0.05820028       
  4      2.471609000           -0.29345340             0.39169880       
  5      1.028308000           -0.73854550             0.50478230       
  6      0.407250000           -0.19471570             0.17902900       
L   3
  1      1.571464000            0.05892219            -0.19301000       
  2      0.605580000            0.29760550             0.09605620       
  3      0.098561000           -1.14750600             0.98176090       
L   1
  1      0.036459000            1.00000000             1.00000000       
D   3
  1     13.5367472123           0.1119134766     
  2      3.4401597836           0.4307135301     
  3      0.9443297182           0.6725709357     
D   1
  1      0.2197057097           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Mn
data:
MANGANESE
S   6
  1  56347.140000000            0.00177158       
  2   8460.943000000            0.01357081       
  3   1927.325000000            0.06690605       
  4    543.234300000            0.23185410       
  5    173.990500000            0.47990460       
  6     59.360050000            0.34957370       
L   6
  1   1165.412000000            0.00238875             0.00397732       
  2    277.327600000            0.03181708             0.03103112       
  3     89.472780000            0.12546700             0.13518940       
  4     33.482560000           -0.02955431             0.34573870       
  5     13.540370000           -0.61751600             0.46292050       
  6      5.557972000           -0.45444580             0.20905920       
L   6
  1     45.835320000           -0.00366586            -0.00688758       
  2     15.187770000            0.07231971            -0.02846816       
  3      6.500710000            0.25444860             0.06031832       
  4      2.751583000           -0.29103800             0.39389610       
  5      1.145404000           -0.73598600             0.50137690       
  6      0.453687000           -0.19976170             0.17922640       
L   3
  1      1.757999000            0.05628572            -0.50350240       
  2      0.667022000            0.28974910             0.23450110       
  3      0.105129000           -1.14065300             0.91412570       
L   1
  1      0.038418000            1.00000000             1.00000000       
D   3
  1     17.4640356959           0.1021964953     
  2      4.5235533151           0.4169414088     
  3      1.3041931349           0.6799648276     
D   1
  1      0.3369193736           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Fe
data:
IRON
S   6
  1  61132.620000000            0.00176611       
  2   9179.342000000            0.01353038       
  3   2090.857000000            0.06673128       
  4    589.247900000            0.23148230       
  5    188.754300000            0.47970580       
  6     64.446290000            0.35019760       
L   6
  1   1259.980000000            0.00243801             0.00402802       
  2    299.876100000            0.03224048             0.03144647       
  3     96.849170000            0.12657240             0.13683170       
  4     36.310200000           -0.03139902             0.34872360       
  5     14.729960000           -0.62075930             0.46179310       
  6      6.066075000           -0.45029140             0.20430580       
L   6
  1     50.434850000           -0.00387326            -0.00701713       
  2     16.839290000            0.07196598            -0.02877660       
  3      7.192086000            0.25565910             0.06181383       
  4      3.053420000           -0.28828370             0.39549460       
  5      1.273643000           -0.73428220             0.49890590       
  6      0.504091000           -0.20493530             0.17912510       
L   3
  1      1.950316000            0.05694869            -0.45937960       
  2      0.736721000            0.28829150             0.28521390       
  3      0.114177000           -1.13815900             0.90764850       
L   1
  1      0.041148000            1.00000000             1.00000000       
D   3
  1     19.2960488121           0.1050074059     
  2      5.0216501028           0.4228007951     
  3      1.4414455281           0.6740867843     
D   1
  1      0.3646837240           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Co
data:
COBALT
S   6
  1  66148.990000000            0.00175979       
  2   9933.077000000            0.01348162       
  3   2262.816000000            0.06649342       
  4    637.915400000            0.23079390       
  5    204.412200000            0.47929190       
  6     69.825380000            0.35140970       
L   6
  1   1378.841000000            0.00237628             0.00397149       
  2    328.269400000            0.03167450             0.03108174       
  3    106.094600000            0.12628880             0.13574390       
  4     39.832750000           -0.02584552             0.34768270       
  5     16.186220000           -0.61834910             0.46263400       
  6      6.667788000           -0.45670080             0.20516320       
L   6
  1     54.523550000           -0.00399300            -0.00729077       
  2     18.297830000            0.07409663            -0.02926027       
  3      7.867348000            0.25420000             0.06564150       
  4      3.340534000           -0.29216570             0.40006520       
  5      1.393756000           -0.73187030             0.49502360       
  6      0.551326000           -0.20407840             0.17582400       
L   3
  1      2.151947000            0.05379843            -0.21654960       
  2      0.811063000            0.27599710             0.12404880       
  3      0.121017000           -1.12969200             0.97240640       
L   1
  1      0.043037000            1.00000000             1.00000000       
D   3
  1     21.3342776067           0.1068275301     
  2      5.5768194304           0.4266878706     
  3      1.5985127182           0.6698677042     
D   1
  1      0.3995329086           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Ni
data:
NICKEL
S   6
  1  71396.350000000            0.00175300       
  2  10720.840000000            0.01343122       
  3   2442.129000000            0.06627041       
  4    688.426500000            0.23025080       
  5    220.615300000            0.47901860       
  6     75.393730000            0.35234440       
L   6
  1   1492.532000000            0.00237071             0.00396755       
  2    355.401300000            0.03160566             0.03109479       
  3    114.953400000            0.12663350             0.13595170       
  4     43.220430000           -0.02417037             0.34851360       
  5     17.597100000           -0.61877750             0.46254980       
  6      7.257765000           -0.45767700             0.20351860       
L   6
  1     59.352610000           -0.00416200            -0.00742145       
  2     20.021810000            0.07425111            -0.02953410       
  3      8.614561000            0.25413600             0.06731852       
  4      3.660531000           -0.29034770             0.40166600       
  5      1.528111000           -0.73021210             0.49266230       
  6      0.604057000           -0.20760570             0.17568930       
L   3
  1      2.379276000            0.05157888            -0.18876630       
  2      0.885839000            0.27076110             0.10151990       
  3      0.128529000           -1.12477000             0.97909060       
L   1
  1      0.045195000            1.00000000             1.00000000       
D   3
  1     23.4797449981           0.1083435458     
  2      6.1618058722           0.4298776432     
  3      1.7645451103           0.6663191638     
D   1
  1      0.4366865521           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Cu
data:
COPPER
S   6
  1  76794.380000000            0.00174816       
  2  11530.700000000            0.01339602       
  3   2626.575000000            0.06610885       
  4    740.490300000            0.22982650       
  5    237.352800000            0.47876750       
  6     81.158180000            0.35307390       
L   6
  1   1610.814000000            0.00236405             0.00396331       
  2    383.636700000            0.03153635             0.03110223       
  3    124.173300000            0.12694520             0.13613500       
  4     46.746780000           -0.02262840             0.34929140       
  5     19.065690000           -0.61920800             0.46247800       
  6      7.871567000           -0.45853930             0.20201020       
L   6
  1     64.457320000           -0.00433108            -0.00752373       
  2     21.852120000            0.07412307            -0.02975687       
  3      9.405343000            0.25421080             0.06849654       
  4      3.999168000           -0.28748430             0.40271410       
  5      1.670297000           -0.72914360             0.49084900       
  6      0.659627000           -0.21139510             0.17592680       
L   3
  1      2.600088000            0.05027577            -0.17029110       
  2      0.963094000            0.26500400             0.09310133       
  3      0.136161000           -1.12015500             0.98143360       
L   1
  1      0.047332000            1.00000000             1.00000000       
D   3
  1     23.7507076365           0.1176454522     
  2      6.2001031538           0.4444063028     
  3      1.7193642175           0.6546667345     
D   1
  1      0.3881782772           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Sc
data:
SCANDIUM
S   6
  1  39088.980000000            0.00180326       
  2   5869.792000000            0.01380769       
  3   1336.910000000            0.06800396       
  4    376.603100000            0.23470990       
  5    120.467900000            0.48156900       
  6     40.980320000            0.34456520       
L   6
  1    786.285200000            0.00245186             0.00403953       
  2    186.887000000            0.03259579             0.03122570       
  3     60.009350000            0.12382420             0.13498330       
  4     22.258830000           -0.04359890             0.34247930       
  5      8.885149000           -0.61771810             0.46231130       
  6      3.609211000           -0.44328230             0.21775240       
L   6
  1     29.843550000           -0.00258630            -0.00609665       
  2      9.542383000            0.07188424            -0.02628884       
  3      4.056790000            0.25032600             0.05091001       
  4      1.704703000           -0.29910030             0.37980970       
  5      0.706234000           -0.74468180             0.51708830       
  6      0.279536000           -0.17997760             0.18297720       
L   3
  1      1.065609000            0.06482978            -0.29384400       
  2      0.425933000            0.32537560             0.09235323       
  3      0.076320000           -1.17080600             0.98479300       
L   1
  1      0.029594000            1.00000000             1.00000000       
D   3
  1      9.2389253773           0.1013495998     
  2      2.3061823929           0.4074937059     
  3      0.6394887979           0.6965324203     
D   1
  1      0.1620099141           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Ti
data:
TITANIUM
S   6
  1  43152.950000000            0.00179187       
  2   6479.571000000            0.01372392       
  3   1475.675000000            0.06762830       
  4    415.699100000            0.23376420       
  5    133.000600000            0.48106960       
  6     45.272220000            0.34622800       
L   6
  1    874.682600000            0.00243101             0.00401768       
  2    207.978500000            0.03233027             0.03113966       
  3     66.879180000            0.12425200             0.13490770       
  4     24.873470000           -0.03903905             0.34316720       
  5      9.968441000           -0.61717890             0.46257600       
  6      4.063826000           -0.44730970             0.21546030       
L   6
  1     33.643630000           -0.00294036            -0.00631162       
  2     10.875650000            0.07163103            -0.02697638       
  3      4.628225000            0.25289150             0.05316847       
  4      1.950126000           -0.29664010             0.38455490       
  5      0.809452000           -0.74322150             0.51276620       
  6      0.320474000           -0.18535200             0.18111350       
L   3
  1      1.224148000            0.06351465            -0.21120700       
  2      0.484263000            0.31514040             0.07771998       
  3      0.084096000           -1.16259500             0.98982140       
L   1
  1      0.032036000            1.00000000             1.00000000       
D   3
  1     11.3802872735           0.1000655567     
  2      2.8785653801           0.4084975315     
  3      0.8146824263           0.6922977301     
D   1
  1      0.2106293041           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: V
data:
VANADIUM
S   6
  1  47354.330000000            0.00178451       
  2   7110.787000000            0.01366754       
  3   1619.591000000            0.06736122       
  4    456.337900000            0.23305520       
  5    146.060600000            0.48063160       
  6     49.757910000            0.34748020       
L   6
  1    968.148400000            0.00241060             0.00399500       
  2    230.282100000            0.03207243             0.03104061       
  3     74.145910000            0.12459420             0.13477470       
  4     27.641070000           -0.03482177             0.34372790       
  5     11.114750000           -0.61673740             0.46287590       
  6      4.543113000           -0.45098440             0.21355470       
L   6
  1     37.640500000           -0.00323320            -0.00649406       
  2     12.282380000            0.07130744            -0.02753453       
  3      5.233366000            0.25438200             0.05516284       
  4      2.208950000           -0.29338870             0.38796720       
  5      0.917880000           -0.74156950             0.50902580       
  6      0.363412000           -0.19094100             0.18038400       
L   3
  1      1.392781000            0.06139703            -0.18912650       
  2      0.543913000            0.30611300             0.08005453       
  3      0.091476000           -1.15489000             0.98773990       
L   1
  1      0.034312000            1.00000000             1.00000000       
D   3
  1     13.3595274176           0.1006487662     
  2      3.4113944966           0.4115551152     
  3      0.9739061412           0.6875734800     
D   1
  1      0.2522224358           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Cr
data:
CHROMIUM
S   6
  1  51789.810000000            0.00177618       
  2   7776.849000000            0.01360476       
  3   1771.385000000            0.06706925       
  4    499.158800000            0.23231040       
  5    159.798200000            0.48024100       
  6     54.470210000            0.34876530       
L   6
  1   1064.328000000            0.00239967             0.00398700       
  2    253.213800000            0.03194886             0.03104662       
  3     81.609240000            0.12508680             0.13505180       
  4     30.481930000           -0.03221866             0.34488650       
  5     12.294390000           -0.61722840             0.46285710       
  6      5.037722000           -0.45259360             0.21104260       
L   6
  1     41.562910000           -0.00345422            -0.00672250       
  2     13.676270000            0.07218428            -0.02806471       
  3      5.844390000            0.25448200             0.05820028       
  4      2.471609000           -0.29345340             0.39169880       
  5      1.028308000           -0.73854550             0.50478230       
  6      0.407250000           -0.19471570             0.17902900       
L   3
  1      1.571464000            0.05892219            -0.19301000       
  2      0.605580000            0.29760550             0.09605620       
  3      0.098561000           -1.14750600             0.98176090       
L   1
  1      0.036459000            1.00000000             1.00000000       
D   3
  1     13.5367472123           0.1119134766     
  2      3.4401597836           0.4307135301     
  3      0.9443297182           0.6725709357     
D   1
  1      0.2197057097           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Mn
data:
MANGANESE
S   6
  1  56347.140000000            0.00177158       
  2   8460.943000000            0.01357081       
  3   1927.325000000            0.06690605       
  4    543.234300000            0.23185410       
  5    173.990500000            0.47990460       
  6     59.360050000            0.34957370       
L   6
  1   1165.412000000            0.00238875             0.00397732       
  2    277.327600000            0.03181708             0.03103112       
  3     89.472780000            0.12546700             0.13518940       
  4     33.482560000           -0.02955431             0.34573870       
  5     13.540370000           -0.61751600             0.46292050       
  6      5.557972000           -0.45444580             0.20905920       
L   6
  1     45.835320000           -0.00366586            -0.00688758       
  2     15.187770000            0.07231971            -0.02846816       
  3      6.500710000            0.25444860             0.06031832       
  4      2.751583000           -0.29103800             0.39389610       
  5      1.145404000           -0.73598600             0.50137690       
  6      0.453687000           -0.19976170             0.17922640       
L   3
  1      1.757999000            0.05628572            -0.50350240       
  2      0.667022000            0.28974910             0.23450110       
  3      0.105129000           -1.14065300             0.91412570       
L   1
  1      0.038418000            1.00000000             1.00000000       
D   3
  1     17.4640356959           0.1021964953     
  2      4.5235533151           0.4169414088     
  3      1.3041931349           0.6799648276     
D   1
  1      0.3369193736           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Fe
data:
IRON
S   6
  1  61132.620000000            0.00176611       
  2   9179.342000000            0.01353038       
  3   2090.857000000            0.06673128       
  4    589.247900000            0.23148230       
  5    188.754300000            0.47970580       
  6     64.446290000            0.35019760       
L   6
  1   1259.980000000            0.00243801             0.00402802       
  2    299.876100000            0.03224048             0.03144647       
  3     96.849170000            0.12657240             0.13683170       
  4     36.310200000           -0.03139902             0.34872360       
  5     14.729960000           -0.62075930             0.46179310       
  6      6.066075000           -0.45029140             0.20430580       
L   6
  1     50.434850000           -0.00387326            -0.00701713       
  2     16.839290000            0.07196598            -0.02877660       
  3      7.192086000            0.25565910             0.06181383       
  4      3.053420000           -0.28828370             0.39549460       
  5      1.273643000           -0.73428220             0.49890590       
  6      0.504091000           -0.20493530             0.17912510       
L   3
  1      1.950316000            0.05694869            -0.45937960       
  2      0.736721000            0.28829150             0.28521390       
  3      0.114177000           -1.13815900             0.90764850       
L   1
  1      0.041148000            1.00000000             1.00000000       
D   3
  1     19.2960488121           0.1050074059     
  2      5.0216501028           0.4228007951     
  3      1.4414455281           0.6740867843     
D   1
  1      0.3646837240           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Co
data:
COBALT
S   6
  1  66148.990000000            0.00175979       
  2   9933.077000000            0.01348162       
  3   2262.816000000            0.06649342       
  4    637.915400000            0.23079390       
  5    204.412200000            0.47929190       
  6     69.825380000            0.35140970       
L   6
  1   1378.841000000            0.00237628             0.00397149       
  2    328.269400000            0.03167450             0.03108174       
  3    106.094600000            0.12628880             0.13574390       
  4     39.832750000           -0.02584552             0.34768270       
  5     16.186220000           -0.61834910             0.46263400       
  6      6.667788000           -0.45670080             0.20516320       
L   6
  1     54.523550000           -0.00399300            -0.00729077       
  2     18.297830000            0.07409663            -0.02926027       
  3      7.867348000            0.25420000             0.06564150       
  4      3.340534000           -0.29216570             0.40006520       
  5      1.393756000           -0.73187030             0.49502360       
  6      0.551326000           -0.20407840             0.17582400       
L   3
  1      2.151947000            0.05379843            -0.21654960       
  2      0.811063000            0.27599710             0.12404880       
  3      0.121017000           -1.12969200             0.97240640       
L   1
  1      0.043037000            1.00000000             1.00000000       
D   3
  1     21.3342776067           0.1068275301     
  2      5.5768194304           0.4266878706     
  3      1.5985127182           0.6698677042     
D   1
  1      0.3995329086           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Ni
data:
NICKEL
S   6
  1  71396.350000000            0.00175300       
  2  10720.840000000            0.01343122       
  3   2442.129000000            0.06627041       
  4    688.426500000            0.23025080       
  5    220.615300000            0.47901860       
  6     75.393730000            0.35234440       
L   6
  1   1492.532000000            0.00237071             0.00396755       
  2    355.401300000            0.03160566             0.03109479       
  3    114.953400000            0.12663350             0.13595170       
  4     43.220430000           -0.02417037             0.34851360       
  5     17.597100000           -0.61877750             0.46254980       
  6      7.257765000           -0.45767700             0.20351860       
L   6
  1     59.352610000           -0.00416200            -0.00742145       
  2     20.021810000            0.07425111            -0.02953410       
  3      8.614561000            0.25413600             0.06731852       
  4      3.660531000           -0.29034770             0.40166600       
  5      1.528111000           -0.73021210             0.49266230       
  6      0.604057000           -0.20760570             0.17568930       
L   3
  1      2.379276000            0.05157888            -0.18876630       
  2      0.885839000            0.27076110             0.10151990       
  3      0.128529000           -1.12477000             0.97909060       
L   1
  1      0.045195000            1.00000000             1.00000000       
D   3
  1     23.4797449981           0.1083435458     
  2      6.1618058722           0.4298776432     
  3      1.7645451103           0.6663191638     
D   1
  1      0.4366865521           1.0000000        


name: m6-31G
description: Improved 6-31G basis set for first-row transition metals
elt: Cu
data:
COPPER
S   6
  1  76794.380000000            0.00174816       
  2  11530.700000000            0.01339602       
  3   2626.575000000            0.06610885       
  4    740.490300000            0.22982650       
  5    237.352800000            0.47876750       
  6     81.158180000            0.35307390       
L   6
  1   1610.814000000            0.00236405             0.00396331       
  2    383.636700000            0.03153635             0.03110223       
  3    124.173300000            0.12694520             0.13613500       
  4     46.746780000           -0.02262840             0.34929140       
  5     19.065690000           -0.61920800             0.46247800       
  6      7.871567000           -0.45853930             0.20201020       
L   6
  1     64.457320000           -0.00433108            -0.00752373       
  2     21.852120000            0.07412307            -0.02975687       
  3      9.405343000            0.25421080             0.06849654       
  4      3.999168000           -0.28748430             0.40271410       
  5      1.670297000           -0.72914360             0.49084900       
  6      0.659627000           -0.21139510             0.17592680       
L   3
  1      2.600088000            0.05027577            -0.17029110       
  2      0.963094000            0.26500400             0.09310133       
  3      0.136161000           -1.12015500             0.98143360       
L   1
  1      0.047332000            1.00000000             1.00000000       
D   3
  1     23.7507076365           0.1176454522     
  2      6.2001031538           0.4444063028     
  3      1.7193642175           0.6546667345     
D   1
  1      0.3881782772           1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Sc
data:
SCANDIUM
S   6
  1  39088.980000000            0.00180326       
  2   5869.792000000            0.01380769       
  3   1336.910000000            0.06800396       
  4    376.603100000            0.23470990       
  5    120.467900000            0.48156900       
  6     40.980320000            0.34456520       
L   6
  1    786.285200000            0.00245186             0.00403953       
  2    186.887000000            0.03259579             0.03122570       
  3     60.009350000            0.12382420             0.13498330       
  4     22.258830000           -0.04359890             0.34247930       
  5      8.885149000           -0.61771810             0.46231130       
  6      3.609211000           -0.44328230             0.21775240       
L   6
  1     29.843550000           -0.00258630            -0.00609665       
  2      9.542383000            0.07188424            -0.02628884       
  3      4.056790000            0.25032600             0.05091001       
  4      1.704703000           -0.29910030             0.37980970       
  5      0.706234000           -0.74468180             0.51708830       
  6      0.279536000           -0.17997760             0.18297720       
L   3
  1      1.065609000            0.06482978            -0.29384400       
  2      0.425933000            0.32537560             0.09235323       
  3      0.076320000           -1.17080600             0.98479300       
L   1
  1      0.029594000            1.00000000             1.00000000       
D   3
  1      9.2389253773           0.1013495998     
  2      2.3061823929           0.4074937059     
  3      0.6394887979           0.6965324203     
D   1
  1      0.1620099141           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Ti
data:
TITANIUM
S   6
  1  43152.950000000            0.00179187       
  2   6479.571000000            0.01372392       
  3   1475.675000000            0.06762830       
  4    415.699100000            0.23376420       
  5    133.000600000            0.48106960       
  6     45.272220000            0.34622800       
L   6
  1    874.682600000            0.00243101             0.00401768       
  2    207.978500000            0.03233027             0.03113966       
  3     66.879180000            0.12425200             0.13490770       
  4     24.873470000           -0.03903905             0.34316720       
  5      9.968441000           -0.61717890             0.46257600       
  6      4.063826000           -0.44730970             0.21546030       
L   6
  1     33.643630000           -0.00294036            -0.00631162       
  2     10.875650000            0.07163103            -0.02697638       
  3      4.628225000            0.25289150             0.05316847       
  4      1.950126000           -0.29664010             0.38455490       
  5      0.809452000           -0.74322150             0.51276620       
  6      0.320474000           -0.18535200             0.18111350       
L   3
  1      1.224148000            0.06351465            -0.21120700       
  2      0.484263000            0.31514040             0.07771998       
  3      0.084096000           -1.16259500             0.98982140       
L   1
  1      0.032036000            1.00000000             1.00000000       
D   3
  1     11.3802872735           0.1000655567     
  2      2.8785653801           0.4084975315     
  3      0.8146824263           0.6922977301     
D   1
  1      0.2106293041           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: V
data:
VANADIUM
S   6
  1  47354.330000000            0.00178451       
  2   7110.787000000            0.01366754       
  3   1619.591000000            0.06736122       
  4    456.337900000            0.23305520       
  5    146.060600000            0.48063160       
  6     49.757910000            0.34748020       
L   6
  1    968.148400000            0.00241060             0.00399500       
  2    230.282100000            0.03207243             0.03104061       
  3     74.145910000            0.12459420             0.13477470       
  4     27.641070000           -0.03482177             0.34372790       
  5     11.114750000           -0.61673740             0.46287590       
  6      4.543113000           -0.45098440             0.21355470       
L   6
  1     37.640500000           -0.00323320            -0.00649406       
  2     12.282380000            0.07130744            -0.02753453       
  3      5.233366000            0.25438200             0.05516284       
  4      2.208950000           -0.29338870             0.38796720       
  5      0.917880000           -0.74156950             0.50902580       
  6      0.363412000           -0.19094100             0.18038400       
L   3
  1      1.392781000            0.06139703            -0.18912650       
  2      0.543913000            0.30611300             0.08005453       
  3      0.091476000           -1.15489000             0.98773990       
L   1
  1      0.034312000            1.00000000             1.00000000       
D   3
  1     13.3595274176           0.1006487662     
  2      3.4113944966           0.4115551152     
  3      0.9739061412           0.6875734800     
D   1
  1      0.2522224358           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Cr
data:
CHROMIUM
S   6
  1  51789.810000000            0.00177618       
  2   7776.849000000            0.01360476       
  3   1771.385000000            0.06706925       
  4    499.158800000            0.23231040       
  5    159.798200000            0.48024100       
  6     54.470210000            0.34876530       
L   6
  1   1064.328000000            0.00239967             0.00398700       
  2    253.213800000            0.03194886             0.03104662       
  3     81.609240000            0.12508680             0.13505180       
  4     30.481930000           -0.03221866             0.34488650       
  5     12.294390000           -0.61722840             0.46285710       
  6      5.037722000           -0.45259360             0.21104260       
L   6
  1     41.562910000           -0.00345422            -0.00672250       
  2     13.676270000            0.07218428            -0.02806471       
  3      5.844390000            0.25448200             0.05820028       
  4      2.471609000           -0.29345340             0.39169880       
  5      1.028308000           -0.73854550             0.50478230       
  6      0.407250000           -0.19471570             0.17902900       
L   3
  1      1.571464000            0.05892219            -0.19301000       
  2      0.605580000            0.29760550             0.09605620       
  3      0.098561000           -1.14750600             0.98176090       
L   1
  1      0.036459000            1.00000000             1.00000000       
D   3
  1     13.5367472123           0.1119134766     
  2      3.4401597836           0.4307135301     
  3      0.9443297182           0.6725709357     
D   1
  1      0.2197057097           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Mn
data:
MANGANESE
S   6
  1  56347.140000000            0.00177158       
  2   8460.943000000            0.01357081       
  3   1927.325000000            0.06690605       
  4    543.234300000            0.23185410       
  5    173.990500000            0.47990460       
  6     59.360050000            0.34957370       
L   6
  1   1165.412000000            0.00238875             0.00397732       
  2    277.327600000            0.03181708             0.03103112       
  3     89.472780000            0.12546700             0.13518940       
  4     33.482560000           -0.02955431             0.34573870       
  5     13.540370000           -0.61751600             0.46292050       
  6      5.557972000           -0.45444580             0.20905920       
L   6
  1     45.835320000           -0.00366586            -0.00688758       
  2     15.187770000            0.07231971            -0.02846816       
  3      6.500710000            0.25444860             0.06031832       
  4      2.751583000           -0.29103800             0.39389610       
  5      1.145404000           -0.73598600             0.50137690       
  6      0.453687000           -0.19976170             0.17922640       
L   3
  1      1.757999000            0.05628572            -0.50350240       
  2      0.667022000            0.28974910             0.23450110       
  3      0.105129000           -1.14065300             0.91412570       
L   1
  1      0.038418000            1.00000000             1.00000000       
D   3
  1     17.4640356959           0.1021964953     
  2      4.5235533151           0.4169414088     
  3      1.3041931349           0.6799648276     
D   1
  1      0.3369193736           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Fe
data:
IRON
S   6
  1  61132.620000000            0.00176611       
  2   9179.342000000            0.01353038       
  3   2090.857000000            0.06673128       
  4    589.247900000            0.23148230       
  5    188.754300000            0.47970580       
  6     64.446290000            0.35019760       
L   6
  1   1259.980000000            0.00243801             0.00402802       
  2    299.876100000            0.03224048             0.03144647       
  3     96.849170000            0.12657240             0.13683170       
  4     36.310200000           -0.03139902             0.34872360       
  5     14.729960000           -0.62075930             0.46179310       
  6      6.066075000           -0.45029140             0.20430580       
L   6
  1     50.434850000           -0.00387326            -0.00701713       
  2     16.839290000            0.07196598            -0.02877660       
  3      7.192086000            0.25565910             0.06181383       
  4      3.053420000           -0.28828370             0.39549460       
  5      1.273643000           -0.73428220             0.49890590       
  6      0.504091000           -0.20493530             0.17912510       
L   3
  1      1.950316000            0.05694869            -0.45937960       
  2      0.736721000            0.28829150             0.28521390       
  3      0.114177000           -1.13815900             0.90764850       
L   1
  1      0.041148000            1.00000000             1.00000000       
D   3
  1     19.2960488121           0.1050074059     
  2      5.0216501028           0.4228007951     
  3      1.4414455281           0.6740867843     
D   1
  1      0.3646837240           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Co
data:
COBALT
S   6
  1  66148.990000000            0.00175979       
  2   9933.077000000            0.01348162       
  3   2262.816000000            0.06649342       
  4    637.915400000            0.23079390       
  5    204.412200000            0.47929190       
  6     69.825380000            0.35140970       
L   6
  1   1378.841000000            0.00237628             0.00397149       
  2    328.269400000            0.03167450             0.03108174       
  3    106.094600000            0.12628880             0.13574390       
  4     39.832750000           -0.02584552             0.34768270       
  5     16.186220000           -0.61834910             0.46263400       
  6      6.667788000           -0.45670080             0.20516320       
L   6
  1     54.523550000           -0.00399300            -0.00729077       
  2     18.297830000            0.07409663            -0.02926027       
  3      7.867348000            0.25420000             0.06564150       
  4      3.340534000           -0.29216570             0.40006520       
  5      1.393756000           -0.73187030             0.49502360       
  6      0.551326000           -0.20407840             0.17582400       
L   3
  1      2.151947000            0.05379843            -0.21654960       
  2      0.811063000            0.27599710             0.12404880       
  3      0.121017000           -1.12969200             0.97240640       
L   1
  1      0.043037000            1.00000000             1.00000000       
D   3
  1     21.3342776067           0.1068275301     
  2      5.5768194304           0.4266878706     
  3      1.5985127182           0.6698677042     
D   1
  1      0.3995329086           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Ni
data:
NICKEL
S   6
  1  71396.350000000            0.00175300       
  2  10720.840000000            0.01343122       
  3   2442.129000000            0.06627041       
  4    688.426500000            0.23025080       
  5    220.615300000            0.47901860       
  6     75.393730000            0.35234440       
L   6
  1   1492.532000000            0.00237071             0.00396755       
  2    355.401300000            0.03160566             0.03109479       
  3    114.953400000            0.12663350             0.13595170       
  4     43.220430000           -0.02417037             0.34851360       
  5     17.597100000           -0.61877750             0.46254980       
  6      7.257765000           -0.45767700             0.20351860       
L   6
  1     59.352610000           -0.00416200            -0.00742145       
  2     20.021810000            0.07425111            -0.02953410       
  3      8.614561000            0.25413600             0.06731852       
  4      3.660531000           -0.29034770             0.40166600       
  5      1.528111000           -0.73021210             0.49266230       
  6      0.604057000           -0.20760570             0.17568930       
L   3
  1      2.379276000            0.05157888            -0.18876630       
  2      0.885839000            0.27076110             0.10151990       
  3      0.128529000           -1.12477000             0.97909060       
L   1
  1      0.045195000            1.00000000             1.00000000       
D   3
  1     23.4797449981           0.1083435458     
  2      6.1618058722           0.4298776432     
  3      1.7645451103           0.6663191638     
D   1
  1      0.4366865521           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Cu
data:
COPPER
S   6
  1  76794.380000000            0.00174816       
  2  11530.700000000            0.01339602       
  3   2626.575000000            0.06610885       
  4    740.490300000            0.22982650       
  5    237.352800000            0.47876750       
  6     81.158180000            0.35307390       
L   6
  1   1610.814000000            0.00236405             0.00396331       
  2    383.636700000            0.03153635             0.03110223       
  3    124.173300000            0.12694520             0.13613500       
  4     46.746780000           -0.02262840             0.34929140       
  5     19.065690000           -0.61920800             0.46247800       
  6      7.871567000           -0.45853930             0.20201020       
L   6
  1     64.457320000           -0.00433108            -0.00752373       
  2     21.852120000            0.07412307            -0.02975687       
  3      9.405343000            0.25421080             0.06849654       
  4      3.999168000           -0.28748430             0.40271410       
  5      1.670297000           -0.72914360             0.49084900       
  6      0.659627000           -0.21139510             0.17592680       
L   3
  1      2.600088000            0.05027577            -0.17029110       
  2      0.963094000            0.26500400             0.09310133       
  3      0.136161000           -1.12015500             0.98143360       
L   1
  1      0.047332000            1.00000000             1.00000000       
D   3
  1     23.7507076365           0.1176454522     
  2      6.2001031538           0.4444063028     
  3      1.7193642175           0.6546667345     
D   1
  1      0.3881782772           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Ti
data:
TITANIUM
S   6
  1  43152.950000000            0.00179187       
  2   6479.571000000            0.01372392       
  3   1475.675000000            0.06762830       
  4    415.699100000            0.23376420       
  5    133.000600000            0.48106960       
  6     45.272220000            0.34622800       
L   6
  1    874.682600000            0.00243101             0.00401768       
  2    207.978500000            0.03233027             0.03113966       
  3     66.879180000            0.12425200             0.13490770       
  4     24.873470000           -0.03903905             0.34316720       
  5      9.968441000           -0.61717890             0.46257600       
  6      4.063826000           -0.44730970             0.21546030       
L   6
  1     33.643630000           -0.00294036            -0.00631162       
  2     10.875650000            0.07163103            -0.02697638       
  3      4.628225000            0.25289150             0.05316847       
  4      1.950126000           -0.29664010             0.38455490       
  5      0.809452000           -0.74322150             0.51276620       
  6      0.320474000           -0.18535200             0.18111350       
L   3
  1      1.224148000            0.06351465            -0.21120700       
  2      0.484263000            0.31514040             0.07771998       
  3      0.084096000           -1.16259500             0.98982140       
L   1
  1      0.032036000            1.00000000             1.00000000       
D   3
  1     11.3802872735           0.1000655567     
  2      2.8785653801           0.4084975315     
  3      0.8146824263           0.6922977301     
D   1
  1      0.2106293041           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: V
data:
VANADIUM
S   6
  1  47354.330000000            0.00178451       
  2   7110.787000000            0.01366754       
  3   1619.591000000            0.06736122       
  4    456.337900000            0.23305520       
  5    146.060600000            0.48063160       
  6     49.757910000            0.34748020       
L   6
  1    968.148400000            0.00241060             0.00399500       
  2    230.282100000            0.03207243             0.03104061       
  3     74.145910000            0.12459420             0.13477470       
  4     27.641070000           -0.03482177             0.34372790       
  5     11.114750000           -0.61673740             0.46287590       
  6      4.543113000           -0.45098440             0.21355470       
L   6
  1     37.640500000           -0.00323320            -0.00649406       
  2     12.282380000            0.07130744            -0.02753453       
  3      5.233366000            0.25438200             0.05516284       
  4      2.208950000           -0.29338870             0.38796720       
  5      0.917880000           -0.74156950             0.50902580       
  6      0.363412000           -0.19094100             0.18038400       
L   3
  1      1.392781000            0.06139703            -0.18912650       
  2      0.543913000            0.30611300             0.08005453       
  3      0.091476000           -1.15489000             0.98773990       
L   1
  1      0.034312000            1.00000000             1.00000000       
D   3
  1     13.3595274176           0.1006487662     
  2      3.4113944966           0.4115551152     
  3      0.9739061412           0.6875734800     
D   1
  1      0.2522224358           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Cu
data:
COPPER
S   6
  1  76794.380000000            0.00174816       
  2  11530.700000000            0.01339602       
  3   2626.575000000            0.06610885       
  4    740.490300000            0.22982650       
  5    237.352800000            0.47876750       
  6     81.158180000            0.35307390       
L   6
  1   1610.814000000            0.00236405             0.00396331       
  2    383.636700000            0.03153635             0.03110223       
  3    124.173300000            0.12694520             0.13613500       
  4     46.746780000           -0.02262840             0.34929140       
  5     19.065690000           -0.61920800             0.46247800       
  6      7.871567000           -0.45853930             0.20201020       
L   6
  1     64.457320000           -0.00433108            -0.00752373       
  2     21.852120000            0.07412307            -0.02975687       
  3      9.405343000            0.25421080             0.06849654       
  4      3.999168000           -0.28748430             0.40271410       
  5      1.670297000           -0.72914360             0.49084900       
  6      0.659627000           -0.21139510             0.17592680       
L   3
  1      2.600088000            0.05027577            -0.17029110       
  2      0.963094000            0.26500400             0.09310133       
  3      0.136161000           -1.12015500             0.98143360       
L   1
  1      0.047332000            1.00000000             1.00000000       
D   3
  1     23.7507076365           0.1176454522     
  2      6.2001031538           0.4444063028     
  3      1.7193642175           0.6546667345     
D   1
  1      0.3881782772           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Fe
data:
IRON
S   6
  1  61132.620000000            0.00176611       
  2   9179.342000000            0.01353038       
  3   2090.857000000            0.06673128       
  4    589.247900000            0.23148230       
  5    188.754300000            0.47970580       
  6     64.446290000            0.35019760       
L   6
  1   1259.980000000            0.00243801             0.00402802       
  2    299.876100000            0.03224048             0.03144647       
  3     96.849170000            0.12657240             0.13683170       
  4     36.310200000           -0.03139902             0.34872360       
  5     14.729960000           -0.62075930             0.46179310       
  6      6.066075000           -0.45029140             0.20430580       
L   6
  1     50.434850000           -0.00387326            -0.00701713       
  2     16.839290000            0.07196598            -0.02877660       
  3      7.192086000            0.25565910             0.06181383       
  4      3.053420000           -0.28828370             0.39549460       
  5      1.273643000           -0.73428220             0.49890590       
  6      0.504091000           -0.20493530             0.17912510       
L   3
  1      1.950316000            0.05694869            -0.45937960       
  2      0.736721000            0.28829150             0.28521390       
  3      0.114177000           -1.13815900             0.90764850       
L   1
  1      0.041148000            1.00000000             1.00000000       
D   3
  1     19.2960488121           0.1050074059     
  2      5.0216501028           0.4228007951     
  3      1.4414455281           0.6740867843     
D   1
  1      0.3646837240           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Ni
data:
NICKEL
S   6
  1  71396.350000000            0.00175300       
  2  10720.840000000            0.01343122       
  3   2442.129000000            0.06627041       
  4    688.426500000            0.23025080       
  5    220.615300000            0.47901860       
  6     75.393730000            0.35234440       
L   6
  1   1492.532000000            0.00237071             0.00396755       
  2    355.401300000            0.03160566             0.03109479       
  3    114.953400000            0.12663350             0.13595170       
  4     43.220430000           -0.02417037             0.34851360       
  5     17.597100000           -0.61877750             0.46254980       
  6      7.257765000           -0.45767700             0.20351860       
L   6
  1     59.352610000           -0.00416200            -0.00742145       
  2     20.021810000            0.07425111            -0.02953410       
  3      8.614561000            0.25413600             0.06731852       
  4      3.660531000           -0.29034770             0.40166600       
  5      1.528111000           -0.73021210             0.49266230       
  6      0.604057000           -0.20760570             0.17568930       
L   3
  1      2.379276000            0.05157888            -0.18876630       
  2      0.885839000            0.27076110             0.10151990       
  3      0.128529000           -1.12477000             0.97909060       
L   1
  1      0.045195000            1.00000000             1.00000000       
D   3
  1     23.4797449981           0.1083435458     
  2      6.1618058722           0.4298776432     
  3      1.7645451103           0.6663191638     
D   1
  1      0.4366865521           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Ni
data:
NICKEL
S   6
  1  71396.350000000            0.00175300       
  2  10720.840000000            0.01343122       
  3   2442.129000000            0.06627041       
  4    688.426500000            0.23025080       
  5    220.615300000            0.47901860       
  6     75.393730000            0.35234440       
L   6
  1   1492.532000000            0.00237071             0.00396755       
  2    355.401300000            0.03160566             0.03109479       
  3    114.953400000            0.12663350             0.13595170       
  4     43.220430000           -0.02417037             0.34851360       
  5     17.597100000           -0.61877750             0.46254980       
  6      7.257765000           -0.45767700             0.20351860       
L   6
  1     59.352610000           -0.00416200            -0.00742145       
  2     20.021810000            0.07425111            -0.02953410       
  3      8.614561000            0.25413600             0.06731852       
  4      3.660531000           -0.29034770             0.40166600       
  5      1.528111000           -0.73021210             0.49266230       
  6      0.604057000           -0.20760570             0.17568930       
L   3
  1      2.379276000            0.05157888            -0.18876630       
  2      0.885839000            0.27076110             0.10151990       
  3      0.128529000           -1.12477000             0.97909060       
L   1
  1      0.045195000            1.00000000             1.00000000       
D   3
  1     23.4797449981           0.1083435458     
  2      6.1618058722           0.4298776432     
  3      1.7645451103           0.6663191638     
D   1
  1      0.4366865521           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Cr
data:
CHROMIUM
S   6
  1  51789.810000000            0.00177618       
  2   7776.849000000            0.01360476       
  3   1771.385000000            0.06706925       
  4    499.158800000            0.23231040       
  5    159.798200000            0.48024100       
  6     54.470210000            0.34876530       
L   6
  1   1064.328000000            0.00239967             0.00398700       
  2    253.213800000            0.03194886             0.03104662       
  3     81.609240000            0.12508680             0.13505180       
  4     30.481930000           -0.03221866             0.34488650       
  5     12.294390000           -0.61722840             0.46285710       
  6      5.037722000           -0.45259360             0.21104260       
L   6
  1     41.562910000           -0.00345422            -0.00672250       
  2     13.676270000            0.07218428            -0.02806471       
  3      5.844390000            0.25448200             0.05820028       
  4      2.471609000           -0.29345340             0.39169880       
  5      1.028308000           -0.73854550             0.50478230       
  6      0.407250000           -0.19471570             0.17902900       
L   3
  1      1.571464000            0.05892219            -0.19301000       
  2      0.605580000            0.29760550             0.09605620       
  3      0.098561000           -1.14750600             0.98176090       
L   1
  1      0.036459000            1.00000000             1.00000000       
D   3
  1     13.5367472123           0.1119134766     
  2      3.4401597836           0.4307135301     
  3      0.9443297182           0.6725709357     
D   1
  1      0.2197057097           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: m6-31G*
description: Improved 6-31G* basis set for first-row transition metals
elt: Co
data:
COBALT
S   6
  1  66148.990000000            0.00175979       
  2   9933.077000000            0.01348162       
  3   2262.816000000            0.06649342       
  4    637.915400000            0.23079390       
  5    204.412200000            0.47929190       
  6     69.825380000            0.35140970       
L   6
  1   1378.841000000            0.00237628             0.00397149       
  2    328.269400000            0.03167450             0.03108174       
  3    106.094600000            0.12628880             0.13574390       
  4     39.832750000           -0.02584552             0.34768270       
  5     16.186220000           -0.61834910             0.46263400       
  6      6.667788000           -0.45670080             0.20516320       
L   6
  1     54.523550000           -0.00399300            -0.00729077       
  2     18.297830000            0.07409663            -0.02926027       
  3      7.867348000            0.25420000             0.06564150       
  4      3.340534000           -0.29216570             0.40006520       
  5      1.393756000           -0.73187030             0.49502360       
  6      0.551326000           -0.20407840             0.17582400       
L   3
  1      2.151947000            0.05379843            -0.21654960       
  2      0.811063000            0.27599710             0.12404880       
  3      0.121017000           -1.12969200             0.97240640       
L   1
  1      0.043037000            1.00000000             1.00000000       
D   3
  1     21.3342776067           0.1068275301     
  2      5.5768194304           0.4266878706     
  3      1.5985127182           0.6698677042     
D   1
  1      0.3995329086           1.0000000        
F   1
  1      0.80000000             1.0000000        


name: maug-cc-pV(D+d)Z
elt: H
description:
maug-cc-pV(D+d)Z basis set is the cc-pV(D+d)Z basis set of Dunning and coworkers augmented with only s and p diffuse functions on the heavy atoms. This basis set is called minimally augmented cc-pV(D+d)Z, which we abbreviate maug-cc-pV(D+d)Z.


name: maug-cc-pV(Q+d)Z
elt: H
description:
maug-cc-pV(Q+d)Z basis set is the cc-pV(Q+d)Z basis set of Dunning and coworkers augmented with only s and p diffuse functions on the heavy atoms. This basis set is called minimally augmented cc-pV(Q+d)Z, which we abbreviate maug-cc-pV(Q+d)Z.


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: He
data:
HELIUM
S   4
  1    234.0000000              0.0025870        
  2     35.1600000              0.0195330        
  3      7.9890000              0.0909980        
  4      2.2120000              0.2720500        
S   1
  1      0.6669000              1.0000000        
S   1
  1      0.2089000              1.0000000        
S   1
  1      0.0513800              1.0000000        
P   1
  1      3.0440000              1.0000000        
P   1
  1      0.7580000              1.0000000        
D   1
  1      1.9650000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: Li
data:
LITHIUM
S   9
  1   5988.0000000              0.0001330        
  2    898.9000000              0.0010250        
  3    205.9000000              0.0052720        
  4     59.2400000              0.0209290        
  5     19.8700000              0.0663400        
  6      7.4060000              0.1657750        
  7      2.9300000              0.3150380        
  8      1.1890000              0.3935230        
  9      0.4798000              0.1908700        
S   9
  1   5988.0000000             -0.0000210        
  2    898.9000000             -0.0001610        
  3    205.9000000             -0.0008200        
  4     59.2400000             -0.0033260        
  5     19.8700000             -0.0105190        
  6      7.4060000             -0.0280970        
  7      2.9300000             -0.0559360        
  8      1.1890000             -0.0992370        
  9      0.4798000             -0.1121890        
S   1
  1      0.0750900              1.0000000        
S   1
  1      0.0283200              1.0000000        
S   1
  1      0.0076000              1.0000000        
P   3
  1      3.2660000              0.0086300        
  2      0.6511000              0.0475380        
  3      0.1696000              0.2097720        
P   1
  1      0.0557800              1.0000000        
P   1
  1      0.0205000              1.0000000        
P   1
  1      0.0091000              1.0000000        
D   1
  1      0.1874000              1.0000000        
D   1
  1      0.0801000              1.0000000        
F   1
  1      0.1829000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: Be
data:
BERYLLIUM
S   9
  1   6863.0000000              0.0002360        
  2   1030.0000000              0.0018260        
  3    234.7000000              0.0094520        
  4     66.5600000              0.0379570        
  5     21.6900000              0.1199650        
  6      7.7340000              0.2821620        
  7      2.9160000              0.4274040        
  8      1.1300000              0.2662780        
  9      0.1101000             -0.0072750        
S   9
  1   6863.0000000             -0.0000430        
  2   1030.0000000             -0.0003330        
  3    234.7000000             -0.0017360        
  4     66.5600000             -0.0070120        
  5     21.6900000             -0.0231260        
  6      7.7340000             -0.0581380        
  7      2.9160000             -0.1145560        
  8      1.1300000             -0.1359080        
  9      0.1101000              0.5774410        
S   1
  1      0.2577000              1.0000000        
S   1
  1      0.0440900              1.0000000        
S   1
  1      0.0150300              1.0000000        
P   3
  1      7.4360000              0.0107360        
  2      1.5770000              0.0628540        
  3      0.4352000              0.2481800        
P   1
  1      0.1438000              1.0000000        
P   1
  1      0.0499400              1.0000000        
P   1
  1      0.0070600              1.0000000        
D   1
  1      0.3480000              1.0000000        
D   1
  1      0.1803000              1.0000000        
F   1
  1      0.3250000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: B
data:
BORON
S   8
  1   5473.0000000              0.0005550        
  2    820.9000000              0.0042910        
  3    186.8000000              0.0219490        
  4     52.8300000              0.0844410        
  5     17.0800000              0.2385570        
  6      5.9990000              0.4350720        
  7      2.2080000              0.3419550        
  8      0.2415000             -0.0095450        
S   8
  1   5473.0000000             -0.0001120        
  2    820.9000000             -0.0008680        
  3    186.8000000             -0.0044840        
  4     52.8300000             -0.0176830        
  5     17.0800000             -0.0536390        
  6      5.9990000             -0.1190050        
  7      2.2080000             -0.1658240        
  8      0.2415000              0.5959810        
S   1
  1      0.5879000              1.0000000        
S   1
  1      0.0861000              1.0000000        
S   1
  1      0.0291400              1.0000000        
P   3
  1     12.0500000              0.0131180        
  2      2.6130000              0.0798960        
  3      0.7475000              0.2772750        
P   1
  1      0.2385000              1.0000000        
P   1
  1      0.0769800              1.0000000        
P   1
  1      0.0209600              1.0000000        
D   1
  1      0.6610000              1.0000000        
D   1
  1      0.1990000              1.0000000        
F   1
  1      0.4900000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: C
data:
CARBON
S   8
  1   8236.0000000              0.0005310        
  2   1235.0000000              0.0041080        
  3    280.8000000              0.0210870        
  4     79.2700000              0.0818530        
  5     25.5900000              0.2348170        
  6      8.9970000              0.4344010        
  7      3.3190000              0.3461290        
  8      0.3643000             -0.0089830        
S   8
  1   8236.0000000             -0.0001130        
  2   1235.0000000             -0.0008780        
  3    280.8000000             -0.0045400        
  4     79.2700000             -0.0181330        
  5     25.5900000             -0.0557600        
  6      8.9970000             -0.1268950        
  7      3.3190000             -0.1703520        
  8      0.3643000              0.5986840        
S   1
  1      0.9059000              1.0000000        
S   1
  1      0.1285000              1.0000000        
S   1
  1      0.0440200              1.0000000        
P   3
  1     18.7100000              0.0140310        
  2      4.1330000              0.0868660        
  3      1.2000000              0.2902160        
P   1
  1      0.3827000              1.0000000        
P   1
  1      0.1209000              1.0000000        
P   1
  1      0.0356900              1.0000000        
D   1
  1      1.0970000              1.0000000        
D   1
  1      0.3180000              1.0000000        
F   1
  1      0.7610000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: N
data:
NITROGEN
S   8
  1  11420.0000000              0.0005230        
  2   1712.0000000              0.0040450        
  3    389.3000000              0.0207750        
  4    110.0000000              0.0807270        
  5     35.5700000              0.2330740        
  6     12.5400000              0.4335010        
  7      4.6440000              0.3474720        
  8      0.5118000             -0.0085080        
S   8
  1  11420.0000000             -0.0001150        
  2   1712.0000000             -0.0008950        
  3    389.3000000             -0.0046240        
  4    110.0000000             -0.0185280        
  5     35.5700000             -0.0573390        
  6     12.5400000             -0.1320760        
  7      4.6440000             -0.1725100        
  8      0.5118000              0.5999440        
S   1
  1      1.2930000              1.0000000        
S   1
  1      0.1787000              1.0000000        
S   1
  1      0.0576000              1.0000000        
P   3
  1     26.6300000              0.0146700        
  2      5.9480000              0.0917640        
  3      1.7420000              0.2986830        
P   1
  1      0.5550000              1.0000000        
P   1
  1      0.1725000              1.0000000        
P   1
  1      0.0491000              1.0000000        
D   1
  1      1.6540000              1.0000000        
D   1
  1      0.4690000              1.0000000        
F   1
  1      1.0930000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: O
data:
OXYGEN
S   8
  1  15330.0000000              0.0005080        
  2   2299.0000000              0.0039290        
  3    522.4000000              0.0202430        
  4    147.3000000              0.0791810        
  5     47.5500000              0.2306870        
  6     16.7600000              0.4331180        
  7      6.2070000              0.3502600        
  8      0.6882000             -0.0081540        
S   8
  1  15330.0000000             -0.0001150        
  2   2299.0000000             -0.0008950        
  3    522.4000000             -0.0046360        
  4    147.3000000             -0.0187240        
  5     47.5500000             -0.0584630        
  6     16.7600000             -0.1364630        
  7      6.2070000             -0.1757400        
  8      0.6882000              0.6034180        
S   1
  1      1.7520000              1.0000000        
S   1
  1      0.2384000              1.0000000        
S   1
  1      0.0737600              1.0000000        
P   3
  1     34.4600000              0.0159280        
  2      7.7490000              0.0997400        
  3      2.2800000              0.3104920        
P   1
  1      0.7156000              1.0000000        
P   1
  1      0.2140000              1.0000000        
P   1
  1      0.0597400              1.0000000        
D   1
  1      2.3140000              1.0000000        
D   1
  1      0.6450000              1.0000000        
F   1
  1      1.4280000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: F
data:
FLUORINE
S   8
  1  19500.0000000              0.0005070        
  2   2923.0000000              0.0039230        
  3    664.5000000              0.0202000        
  4    187.5000000              0.0790100        
  5     60.6200000              0.2304390        
  6     21.4200000              0.4328720        
  7      7.9500000              0.3499640        
  8      0.8815000             -0.0078920        
S   8
  1  19500.0000000             -0.0001170        
  2   2923.0000000             -0.0009120        
  3    664.5000000             -0.0047170        
  4    187.5000000             -0.0190860        
  5     60.6200000             -0.0596550        
  6     21.4200000             -0.1400100        
  7      7.9500000             -0.1767820        
  8      0.8815000              0.6050430        
S   1
  1      2.2570000              1.0000000        
S   1
  1      0.3041000              1.0000000        
S   1
  1      0.0915800              1.0000000        
P   3
  1     43.8800000              0.0166650        
  2      9.9260000              0.1044720        
  3      2.9300000              0.3172600        
P   1
  1      0.9132000              1.0000000        
P   1
  1      0.2672000              1.0000000        
P   1
  1      0.0736100              1.0000000        
D   1
  1      3.1070000              1.0000000        
D   1
  1      0.8550000              1.0000000        
F   1
  1      1.9170000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: Ne
data:
NEON
S   8
  1  24350.0000000              0.0005020        
  2   3650.0000000              0.0038810        
  3    829.6000000              0.0199970        
  4    234.0000000              0.0784180        
  5     75.6100000              0.2296760        
  6     26.7300000              0.4327220        
  7      9.9270000              0.3506420        
  8      1.1020000             -0.0076450        
S   8
  1  24350.0000000             -0.0001180        
  2   3650.0000000             -0.0009150        
  3    829.6000000             -0.0047370        
  4    234.0000000             -0.0192330        
  5     75.6100000             -0.0603690        
  6     26.7300000             -0.1425080        
  7      9.9270000             -0.1777100        
  8      1.1020000              0.6058360        
S   1
  1      2.8360000              1.0000000        
S   1
  1      0.3782000              1.0000000        
S   1
  1      0.1133000              1.0000000        
P   3
  1     54.7000000              0.0171510        
  2     12.4300000              0.1076560        
  3      3.6790000              0.3216810        
P   1
  1      1.1430000              1.0000000        
P   1
  1      0.3300000              1.0000000        
P   1
  1      0.0917500              1.0000000        
D   1
  1      4.0140000              1.0000000        
D   1
  1      1.0960000              1.0000000        
F   1
  1      2.5440000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: Na
data:
SODIUM
S   14
  1 423000.0000000              0.180618D-04     
  2  63340.0000000              0.140430D-03     
  3  14410.0000000              0.738438D-03     
  4   4077.0000000              0.311182D-02     
  5   1328.0000000              0.112081D-01     
  6    478.6000000              0.352828D-01     
  7    186.2000000              0.959897D-01     
  8     76.9200000              0.213735D+00     
  9     33.3200000              0.348688D+00     
 10     15.0000000              0.324566D+00     
 11      6.8690000              0.112633D+00     
 12      2.6830000              0.706797D-02     
 13      1.1090000              0.598010D-03     
 14      0.0601500             -0.530870D-05     
S   14
  1 423000.0000000             -0.440653D-05     
  2  63340.0000000             -0.343443D-04     
  3  14410.0000000             -0.180114D-03     
  4   4077.0000000             -0.763900D-03     
  5   1328.0000000             -0.275248D-02     
  6    478.6000000             -0.886016D-02     
  7    186.2000000             -0.247939D-01     
  8     76.9200000             -0.605995D-01     
  9     33.3200000             -0.116446D+00     
 10     15.0000000             -0.162437D+00     
 11      6.8690000             -0.438891D-01     
 12      2.6830000              0.337917D+00     
 13      1.1090000              0.561347D+00     
 14      0.0601500              0.406754D-02     
S   14
  1 423000.0000000              0.663019D-06     
  2  63340.0000000              0.515769D-05     
  3  14410.0000000              0.271250D-04     
  4   4077.0000000              0.114635D-03     
  5   1328.0000000              0.415118D-03     
  6    478.6000000              0.132978D-02     
  7    186.2000000              0.375595D-02     
  8     76.9200000              0.914025D-02     
  9     33.3200000              0.179859D-01     
 10     15.0000000              0.251477D-01     
 11      6.8690000              0.763522D-02     
 12      2.6830000             -0.614589D-01     
 13      1.1090000             -0.115721D+00     
 14      0.0601500              0.626406D+00     
S   1
  1      0.4540000              1.0000000        
S   1
  1      0.0238200              1.0000000        
S   1
  1      0.0066500              1.0000000        
P   8
  1    243.3000000              0.224392D-02     
  2     57.3900000              0.173997D-01     
  3     18.1000000              0.774125D-01     
  4      6.5750000              0.219102D+00     
  5      2.5210000              0.378522D+00     
  6      0.9607000              0.394902D+00     
  7      0.3512000              0.160424D+00     
  8      0.0982700              0.233311D-02     
P   8
  1    243.3000000             -0.222401D-03     
  2     57.3900000             -0.174277D-02     
  3     18.1000000             -0.775456D-02     
  4      6.5750000             -0.225187D-01     
  5      2.5210000             -0.384330D-01     
  6      0.9607000             -0.450177D-01     
  7      0.3512000             -0.192132D-01     
  8      0.0982700              0.182697D+00     
P   1
  1      0.0373400              1.0000000        
P   1
  1      0.0150000              1.0000000        
P   1
  1      0.0070000              1.0000000        
D   1
  1      0.1367000              1.0000000        
D   1
  1      0.0636000              1.0000000        
F   1
  1      0.1397000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: Mg
data:
MAGNESIUM
S   13
  1 164900.0000000              0.729929D-04     
  2  24710.0000000              0.566652D-03     
  3   5628.0000000              0.296269D-02     
  4   1596.0000000              0.122962D-01     
  5    521.0000000              0.427324D-01     
  6    188.0000000              0.123013D+00     
  7     73.0100000              0.274832D+00     
  8     29.9000000              0.401818D+00     
  9     12.5400000              0.264697D+00     
 10      4.3060000              0.332612D-01     
 11      1.8260000             -0.441335D-02     
 12      0.7417000              0.206024D-02     
 13      0.0761200              0.708195D-03     
S   13
  1 164900.0000000             -0.184248D-04     
  2  24710.0000000             -0.143500D-03     
  3   5628.0000000             -0.748710D-03     
  4   1596.0000000             -0.314407D-02     
  5    521.0000000             -0.110481D-01     
  6    188.0000000             -0.336058D-01     
  7     73.0100000             -0.825946D-01     
  8     29.9000000             -0.159314D+00     
  9     12.5400000             -0.152888D+00     
 10      4.3060000              0.190849D+00     
 11      1.8260000              0.579964D+00     
 12      0.7417000              0.372029D+00     
 13      0.0761200             -0.119344D-01     
S   13
  1 164900.0000000              0.355176D-05     
  2  24710.0000000              0.276420D-04     
  3   5628.0000000              0.144404D-03     
  4   1596.0000000              0.605744D-03     
  5    521.0000000              0.213527D-02     
  6    188.0000000              0.649934D-02     
  7     73.0100000              0.161446D-01     
  8     29.9000000              0.315766D-01     
  9     12.5400000              0.316374D-01     
 10      4.3060000             -0.439140D-01     
 11      1.8260000             -0.151093D+00     
 12      0.7417000             -0.217668D+00     
 13      0.0761200              0.547245D+00     
S   1
  1      0.1457000              1.0000000        
S   1
  1      0.0331000              1.0000000        
S   1
  1      0.0129000              1.0000000        
P   8
  1    316.9000000              0.207532D-02     
  2     74.8600000              0.162869D-01     
  3     23.7200000              0.738697D-01     
  4      8.6690000              0.214297D+00     
  5      3.3630000              0.382154D+00     
  6      1.3100000              0.398178D+00     
  7      0.4911000              0.152878D+00     
  8      0.2364000             -0.437540D-02     
P   8
  1    316.9000000             -0.329727D-03     
  2     74.8600000             -0.258754D-02     
  3     23.7200000             -0.119120D-01     
  4      8.6690000             -0.350227D-01     
  5      3.3630000             -0.639968D-01     
  6      1.3100000             -0.704436D-01     
  7      0.4911000             -0.375836D-01     
  8      0.2364000              0.177043D+00     
P   1
  1      0.0873300              1.0000000        
P   1
  1      0.0323700              1.0000000        
P   1
  1      0.0074500              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.2940000              1.0000000        
F   1
  1      0.2520000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: Al
data:
ALUMINUM
S   13
  1 205500.0000000              0.678836D-04     
  2  30780.0000000              0.527149D-03     
  3   7006.0000000              0.276203D-02     
  4   1985.0000000              0.114728D-01     
  5    649.1000000              0.398188D-01     
  6    235.0000000              0.115040D+00     
  7     91.6200000              0.260887D+00     
  8     37.6700000              0.396386D+00     
  9     15.9100000              0.284597D+00     
 10      5.8500000              0.444583D-01     
 11      2.5420000             -0.489838D-02     
 12      1.0570000              0.261253D-02     
 13      0.1455000              0.722068D-03     
S   13
  1 205500.0000000             -0.176377D-04     
  2  30780.0000000             -0.137195D-03     
  3   7006.0000000             -0.718910D-03     
  4   1985.0000000             -0.301146D-02     
  5    649.1000000             -0.106014D-01     
  6    235.0000000             -0.321345D-01     
  7     91.6200000             -0.803156D-01     
  8     37.6700000             -0.156794D+00     
  9     15.9100000             -0.168376D+00     
 10      5.8500000              0.126879D+00     
 11      2.5420000              0.561494D+00     
 12      1.0570000              0.436613D+00     
 13      0.1455000             -0.114563D-01     
S   13
  1 205500.0000000              0.407315D-05     
  2  30780.0000000              0.316566D-04     
  3   7006.0000000              0.166116D-03     
  4   1985.0000000              0.694992D-03     
  5    649.1000000              0.245511D-02     
  6    235.0000000              0.744598D-02     
  7     91.6200000              0.188253D-01     
  8     37.6700000              0.372772D-01     
  9     15.9100000              0.419496D-01     
 10      5.8500000             -0.354375D-01     
 11      2.5420000             -0.175132D+00     
 12      1.0570000             -0.276203D+00     
 13      0.1455000              0.652809D+00     
S   1
  1      0.2931000              1.0000000        
S   1
  1      0.0565000              1.0000000        
S   1
  1      0.0221000              1.0000000        
P   7
  1    444.4000000              0.162786D-02     
  2    105.1000000              0.130687D-01     
  3     33.4700000              0.612341D-01     
  4     12.3300000              0.187870D+00     
  5      4.8690000              0.360452D+00     
  6      1.9610000              0.408454D+00     
  7      0.1888000              0.976514D-02     
P   7
  1    444.4000000             -0.286341D-03     
  2    105.1000000             -0.242308D-02     
  3     33.4700000             -0.108658D-01     
  4     12.3300000             -0.364307D-01     
  5      4.8690000             -0.641074D-01     
  6      1.9610000             -0.972239D-01     
  7      0.1888000              0.503448D+00     
P   1
  1      0.7834000              1.0000000        
P   1
  1      0.0555700              1.0000000        
P   1
  1      0.0146000              1.0000000        
D   1
  1      1.5700000              1.0000000        
D   1
  1      0.3330000              1.0000000        
D   1
  1      0.1110000              1.0000000        
F   1
  1      0.2440000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: Si
data:
SILICON
S   13
  1 254900.0000000              0.625101D-04     
  2  38190.0000000              0.485553D-03     
  3   8690.0000000              0.254516D-02     
  4   2462.0000000              0.105866D-01     
  5    804.8000000              0.368787D-01     
  6    291.3000000              0.107479D+00     
  7    113.6000000              0.247936D+00     
  8     46.7500000              0.390927D+00     
  9     19.8200000              0.302026D+00     
 10      7.7080000              0.559236D-01     
 11      3.3400000             -0.402406D-02     
 12      1.4020000              0.258030D-02     
 13      0.2070000              0.607930D-03     
S   13
  1 254900.0000000             -0.166370D-04     
  2  38190.0000000             -0.129310D-03     
  3   8690.0000000             -0.678828D-03     
  4   2462.0000000             -0.284117D-02     
  5    804.8000000             -0.100551D-01     
  6    291.3000000             -0.305774D-01     
  7    113.6000000             -0.777256D-01     
  8     46.7500000             -0.154236D+00     
  9     19.8200000             -0.180368D+00     
 10      7.7080000              0.798218D-01     
 11      3.3400000              0.547441D+00     
 12      1.4020000              0.480119D+00     
 13      0.2070000             -0.106996D-01     
S   13
  1 254900.0000000              0.426257D-05     
  2  38190.0000000              0.331062D-04     
  3   8690.0000000              0.174015D-03     
  4   2462.0000000              0.727574D-03     
  5    804.8000000              0.258333D-02     
  6    291.3000000              0.786354D-02     
  7    113.6000000              0.202155D-01     
  8     46.7500000              0.407320D-01     
  9     19.8200000              0.499358D-01     
 10      7.7080000             -0.249396D-01     
 11      3.3400000             -0.190350D+00     
 12      1.4020000             -0.318350D+00     
 13      0.2070000              0.681180D+00     
S   1
  1      0.4387000              1.0000000        
S   1
  1      0.0794400              1.0000000        
S   1
  1      0.0330000              1.0000000        
P   7
  1    481.5000000              0.192045D-02     
  2    113.9000000              0.153552D-01     
  3     36.2300000              0.713991D-01     
  4     13.3400000              0.213052D+00     
  5      5.2520000              0.390354D+00     
  6      2.1200000              0.393721D+00     
  7      0.2528000              0.395630D-02     
P   7
  1    481.5000000             -0.405220D-03     
  2    113.9000000             -0.335896D-02     
  3     36.2300000             -0.152860D-01     
  4     13.3400000             -0.489218D-01     
  5      5.2520000             -0.855008D-01     
  6      2.1200000             -0.112137D+00     
  7      0.2528000              0.551919D+00     
P   1
  1      0.8561000              1.0000000        
P   1
  1      0.0788900              1.0000000        
P   1
  1      0.0237000              1.0000000        
D   1
  1      2.3030000              1.0000000        
D   1
  1      0.4760000              1.0000000        
D   1
  1      0.1600000              1.0000000        
F   1
  1      0.3360000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: P
data:
PHOSPHOROUS
S   13
  1 312400.0000000              0.576960D-04     
  2  46800.0000000              0.448296D-03     
  3  10650.0000000              0.234939D-02     
  4   3018.0000000              0.978265D-02     
  5    986.8000000              0.341467D-01     
  6    357.4000000              0.100204D+00     
  7    139.6000000              0.234372D+00     
  8     57.6300000              0.382434D+00     
  9     24.6000000              0.318088D+00     
 10     10.1200000              0.707788D-01     
 11      4.2830000             -0.181799D-02     
 12      1.8050000              0.216180D-02     
 13      0.2782000              0.432297D-03     
S   13
  1 312400.0000000             -0.156709D-04     
  2  46800.0000000             -0.121724D-03     
  3  10650.0000000             -0.639672D-03     
  4   3018.0000000             -0.267426D-02     
  5    986.8000000             -0.949831D-02     
  6    357.4000000             -0.289349D-01     
  7    139.6000000             -0.745121D-01     
  8     57.6300000             -0.149938D+00     
  9     24.6000000             -0.189467D+00     
 10     10.1200000              0.363270D-01     
 11      4.2830000              0.528816D+00     
 12      1.8050000              0.519115D+00     
 13      0.2782000             -0.925695D-02     
S   13
  1 312400.0000000              0.430631D-05     
  2  46800.0000000              0.334194D-04     
  3  10650.0000000              0.175885D-03     
  4   3018.0000000              0.734340D-03     
  5    986.8000000              0.261775D-02     
  6    357.4000000              0.797852D-02     
  7    139.6000000              0.207940D-01     
  8     57.6300000              0.424446D-01     
  9     24.6000000              0.563436D-01     
 10     10.1200000             -0.127358D-01     
 11      4.2830000             -0.196495D+00     
 12      1.8050000             -0.353555D+00     
 13      0.2782000              0.700912D+00     
S   1
  1      0.6158000              1.0000000        
S   1
  1      0.1055000              1.0000000        
S   1
  1      0.0409000              1.0000000        
P   7
  1    504.9000000              0.233728D-02     
  2    119.4000000              0.185410D-01     
  3     37.9600000              0.849693D-01     
  4     13.9500000              0.244615D+00     
  5      5.4570000              0.422766D+00     
  6      2.1770000              0.368439D+00     
  7      0.2877000             -0.379005D-02     
P   7
  1    504.9000000             -0.555236D-03     
  2    119.4000000             -0.445913D-02     
  3     37.9600000             -0.206350D-01     
  4     13.9500000             -0.617694D-01     
  5      5.4570000             -0.108924D+00     
  6      2.1770000             -0.105599D+00     
  7      0.2877000              0.576981D+00     
P   1
  1      0.8010000              1.0000000        
P   1
  1      0.0971400              1.0000000        
P   1
  1      0.0307000              1.0000000        
D   1
  1      3.1200000              1.0000000        
D   1
  1      0.6480000              1.0000000        
D   1
  1      0.2180000              1.0000000        
F   1
  1      0.4520000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: S
data:
SULFUR
S   13
  1 374100.0000000              0.542140D-04     
  2  56050.0000000              0.420855D-03     
  3  12760.0000000              0.220698D-02     
  4   3615.0000000              0.919258D-02     
  5   1183.0000000              0.321123D-01     
  6    428.8000000              0.946683D-01     
  7    167.8000000              0.223630D+00     
  8     69.4700000              0.374393D+00     
  9     29.8400000              0.329108D+00     
 10     12.7200000              0.847038D-01     
 11      5.2440000              0.440851D-03     
 12      2.2190000              0.164827D-02     
 13      0.3490000              0.301306D-03     
S   13
  1 374100.0000000             -0.149837D-04     
  2  56050.0000000             -0.116198D-03     
  3  12760.0000000             -0.611583D-03     
  4   3615.0000000             -0.255370D-02     
  5   1183.0000000             -0.908708D-02     
  6    428.8000000             -0.277045D-01     
  7    167.8000000             -0.720020D-01     
  8     69.4700000             -0.146439D+00     
  9     29.8400000             -0.195150D+00     
 10     12.7200000              0.819193D-02     
 11      5.2440000              0.516601D+00     
 12      2.2190000              0.542178D+00     
 13      0.3490000             -0.918072D-02     
S   13
  1 374100.0000000              0.435066D-05     
  2  56050.0000000              0.337140D-04     
  3  12760.0000000              0.177674D-03     
  4   3615.0000000              0.741116D-03     
  5   1183.0000000              0.264591D-02     
  6    428.8000000              0.807487D-02     
  7    167.8000000              0.212276D-01     
  8     69.4700000              0.438323D-01     
  9     29.8400000              0.612716D-01     
 10     12.7200000             -0.361510D-02     
 11      5.2440000             -0.204510D+00     
 12      2.2190000             -0.381871D+00     
 13      0.3490000              0.714147D+00     
S   1
  1      0.7767000              1.0000000        
S   1
  1      0.1322000              1.0000000        
S   1
  1      0.0497000              1.0000000        
P   7
  1    574.4000000              0.242264D-02     
  2    135.8000000              0.192796D-01     
  3     43.1900000              0.885401D-01     
  4     15.8700000              0.254654D+00     
  5      6.2080000              0.433984D+00     
  6      2.4830000              0.354953D+00     
  7      0.3229000             -0.502977D-02     
P   7
  1    574.4000000             -0.620102D-03     
  2    135.8000000             -0.493882D-02     
  3     43.1900000             -0.232647D-01     
  4     15.8700000             -0.685195D-01     
  5      6.2080000             -0.123896D+00     
  6      2.4830000             -0.969499D-01     
  7      0.3229000              0.569394D+00     
P   1
  1      0.8688000              1.0000000        
P   1
  1      0.1098000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   1
  1      3.7560000              1.0000000        
D   1
  1      0.8120000              1.0000000        
D   1
  1      0.2730000              1.0000000        
F   1
  1      0.5570000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: Cl
data:
CHLORINE
S   13
  1 456100.0000000              0.492970D-04     
  2  68330.0000000              0.383029D-03     
  3  15550.0000000              0.200854D-02     
  4   4405.0000000              0.838558D-02     
  5   1439.0000000              0.294703D-01     
  6    520.4000000              0.878325D-01     
  7    203.1000000              0.211473D+00     
  8     83.9600000              0.365364D+00     
  9     36.2000000              0.340884D+00     
 10     15.8300000              0.102133D+00     
 11      6.3340000              0.311675D-02     
 12      2.6940000              0.105751D-02     
 13      0.4313000              0.156136D-03     
S   13
  1 456100.0000000             -0.138304D-04     
  2  68330.0000000             -0.107279D-03     
  3  15550.0000000             -0.565083D-03     
  4   4405.0000000             -0.236135D-02     
  5   1439.0000000             -0.845886D-02     
  6    520.4000000             -0.259638D-01     
  7    203.1000000             -0.686362D-01     
  8     83.9600000             -0.141874D+00     
  9     36.2000000             -0.199319D+00     
 10     15.8300000             -0.195662D-01     
 11      6.3340000              0.499741D+00     
 12      2.6940000              0.563736D+00     
 13      0.4313000             -0.835091D-02     
S   13
  1 456100.0000000              0.418546D-05     
  2  68330.0000000              0.324395D-04     
  3  15550.0000000              0.171105D-03     
  4   4405.0000000              0.714176D-03     
  5   1439.0000000              0.256705D-02     
  6    520.4000000              0.788552D-02     
  7    203.1000000              0.210867D-01     
  8     83.9600000              0.442264D-01     
  9     36.2000000              0.651670D-01     
 10     15.8300000              0.603012D-02     
 11      6.3340000             -0.206495D+00     
 12      2.6940000             -0.405871D+00     
 13      0.4313000              0.725661D+00     
S   1
  1      0.9768000              1.0000000        
S   1
  1      0.1625000              1.0000000        
S   1
  1      0.0591000              1.0000000        
P   7
  1    663.3000000              0.240448D-02     
  2    156.8000000              0.192148D-01     
  3     49.9800000              0.885097D-01     
  4     18.4200000              0.256020D+00     
  5      7.2400000              0.436927D+00     
  6      2.9220000              0.350334D+00     
  7      0.3818000             -0.458423D-02     
P   7
  1    663.3000000             -0.652145D-03     
  2    156.8000000             -0.519445D-02     
  3     49.9800000             -0.246938D-01     
  4     18.4200000             -0.728167D-01     
  5      7.2400000             -0.134030D+00     
  6      2.9220000             -0.947742D-01     
  7      0.3818000              0.564667D+00     
P   1
  1      1.0220000              1.0000000        
P   1
  1      0.1301000              1.0000000        
P   1
  1      0.0419000              1.0000000        
D   1
  1      4.6100000              1.0000000        
D   1
  1      1.0110000              1.0000000        
D   1
  1      0.3390000              1.0000000        
F   1
  1      0.7060000              1.0000000        


name: maug-cc-pV(T+d)Z
description: Minimally augmented cc-pV(T+d)Z
elt: Ar
data:
ARGON
S   13
  1 545000.0000000              0.455828D-04     
  2  81640.0000000              0.354108D-03     
  3  18580.0000000              0.185797D-02     
  4   5261.0000000              0.776851D-02     
  5   1717.0000000              0.274232D-01     
  6    619.9000000              0.823836D-01     
  7    241.6000000              0.201230D+00     
  8     99.7900000              0.356781D+00     
  9     43.1500000              0.349563D+00     
 10     19.1400000              0.118266D+00     
 11      7.4880000              0.560190D-02     
 12      3.2050000              0.483473D-03     
 13      0.5204000              0.292025D-04     
S   13
  1 545000.0000000             -0.129551D-04     
  2  81640.0000000             -0.100428D-03     
  3  18580.0000000             -0.529583D-03     
  4   5261.0000000             -0.221396D-02     
  5   1717.0000000             -0.796845D-02     
  6    619.9000000             -0.245803D-01     
  7    241.6000000             -0.657798D-01     
  8     99.7900000             -0.137942D+00     
  9     43.1500000             -0.201630D+00     
 10     19.1400000             -0.412834D-01     
 11      7.4880000              0.484680D+00     
 12      3.2050000              0.579224D+00     
 13      0.5204000             -0.727553D-02     
S   13
  1 545000.0000000              0.404990D-05     
  2  81640.0000000              0.313691D-04     
  3  18580.0000000              0.165646D-03     
  4   5261.0000000              0.691662D-03     
  5   1717.0000000              0.249790D-02     
  6    619.9000000              0.771074D-02     
  7    241.6000000              0.208714D-01     
  8     99.7900000              0.443965D-01     
  9     43.1500000              0.680224D-01     
 10     19.1400000              0.141350D-01     
 11      7.4880000             -0.207489D+00     
 12      3.2050000             -0.425045D+00     
 13      0.5204000              0.733627D+00     
S   1
  1      1.1960000              1.0000000        
S   1
  1      0.1954000              1.0000000        
S   1
  1      0.0685000              1.0000000        
P   7
  1    761.8000000              0.236976D-02     
  2    180.2000000              0.190199D-01     
  3     57.5000000              0.880807D-01     
  4     21.2400000              0.256377D+00     
  5      8.3880000              0.438711D+00     
  6      3.4160000              0.347569D+00     
  7      0.4523000             -0.523882D-02     
P   7
  1    761.8000000             -0.667211D-03     
  2    180.2000000             -0.532717D-02     
  3     57.5000000             -0.255494D-01     
  4     21.2400000             -0.757197D-01     
  5      8.3880000             -0.141133D+00     
  6      3.4160000             -0.932768D-01     
  7      0.4523000              0.562450D+00     
P   1
  1      1.2060000              1.0000000        
P   1
  1      0.1545000              1.0000000        
P   1
  1      0.0487000              1.0000000        
D   1
  1      5.5510000              1.0000000        
D   1
  1      1.2350000              1.0000000        
D   1
  1      0.4120000              1.0000000        
F   1
  1      0.8900000              1.0000000        


name: maug-cc-pVDZ
elt: H
description:
maug-cc-pVDZ basis set is the cc-pVDZ basis set of Dunning and coworkers augmented with only s and p diffuse functions on the heavy atoms. This basis set is called minimally augmented cc-pVDZ, which we abbreviate maug-cc-pVDZ.


name: maug-cc-pVDZ
elt: Al
data:
ALUMINUM
S   11
  1  64150.0000000              0.290250D-03     
  2   9617.0000000              0.225064D-02     
  3   2189.0000000              0.116459D-01     
  4    620.5000000              0.467377D-01     
  5    202.7000000              0.146299D+00     
  6     73.1500000              0.330283D+00     
  7     28.5500000              0.415861D+00     
  8     11.7700000              0.189253D+00     
  9      3.3000000              0.115889D-01     
 10      1.1730000             -0.128385D-02     
 11      0.1752000              0.425883D-03     
S   11
  1  64150.0000000             -0.758048D-04     
  2   9617.0000000             -0.581791D-03     
  3   2189.0000000             -0.308113D-02     
  4    620.5000000             -0.123112D-01     
  5    202.7000000             -0.419781D-01     
  6     73.1500000             -0.103371D+00     
  7     28.5500000             -0.196308D+00     
  8     11.7700000             -0.830002D-01     
  9      3.3000000              0.541040D+00     
 10      1.1730000              0.578796D+00     
 11      0.1752000              0.288147D-01     
S   11
  1  64150.0000000              0.175078D-04     
  2   9617.0000000              0.134208D-03     
  3   2189.0000000              0.712442D-03     
  4    620.5000000              0.284330D-02     
  5    202.7000000              0.976842D-02     
  6     73.1500000              0.241850D-01     
  7     28.5500000              0.474993D-01     
  8     11.7700000              0.203621D-01     
  9      3.3000000             -0.158788D+00     
 10      1.1730000             -0.311694D+00     
 11      0.1752000              0.620147D+00     
S   1
  1      0.0647300              1.0000000        
S   1
  1      0.0231000              1.0000000        
P   7
  1    258.8000000              0.406847D-02     
  2     60.8900000              0.306815D-01     
  3     19.1400000              0.129149D+00     
  4      6.8810000              0.320831D+00     
  5      2.5740000              0.453815D+00     
  6      0.9572000              0.275066D+00     
  7      0.2099000              0.190807D-01     
P   7
  1    258.8000000             -0.748053D-03     
  2     60.8900000             -0.545796D-02     
  3     19.1400000             -0.245371D-01     
  4      6.8810000             -0.582138D-01     
  5      2.5740000             -0.983756D-01     
  6      0.9572000             -0.260064D-01     
  7      0.2099000              0.464020D+00     
P   1
  1      0.0598600              1.0000000        
P   1
  1      0.0153000              1.0000000        
D   1
  1      0.1890000              1.0000000        


name: maug-cc-pVDZ
elt: Si
data:
SILICON
S   11
  1  78860.0000000              0.270443D-03     
  2  11820.0000000              0.209717D-02     
  3   2692.0000000              0.108506D-01     
  4    763.4000000              0.436754D-01     
  5    249.6000000              0.137653D+00     
  6     90.2800000              0.316644D+00     
  7     35.2900000              0.418581D+00     
  8     14.5100000              0.210212D+00     
  9      4.0530000              0.144952D-01     
 10      1.4820000             -0.203590D-02     
 11      0.2517000              0.624186D-03     
S   11
  1  78860.0000000             -0.723177D-04     
  2  11820.0000000             -0.555116D-03     
  3   2692.0000000             -0.293805D-02     
  4    763.4000000             -0.117687D-01     
  5    249.6000000             -0.402907D-01     
  6     90.2800000             -0.100609D+00     
  7     35.2900000             -0.196528D+00     
  8     14.5100000             -0.102382D+00     
  9      4.0530000              0.527190D+00     
 10      1.4820000              0.593251D+00     
 11      0.2517000              0.332652D-01     
S   11
  1  78860.0000000              0.185113D-04     
  2  11820.0000000              0.142236D-03     
  3   2692.0000000              0.752185D-03     
  4    763.4000000              0.302279D-02     
  5    249.6000000              0.103677D-01     
  6     90.2800000              0.262563D-01     
  7     35.2900000              0.523989D-01     
  8     14.5100000              0.290959D-01     
  9      4.0530000             -0.178003D+00     
 10      1.4820000             -0.346874D+00     
 11      0.2517000              0.623020D+00     
S   1
  1      0.0924300              1.0000000        
S   1
  1      0.0332000              1.0000000        
P   7
  1    315.9000000              0.392656D-02     
  2     74.4200000              0.298811D-01     
  3     23.4800000              0.127212D+00     
  4      8.4880000              0.320943D+00     
  5      3.2170000              0.455429D+00     
  6      1.2290000              0.268563D+00     
  7      0.2964000              0.188336D-01     
P   7
  1    315.9000000             -0.858302D-03     
  2     74.4200000             -0.630328D-02     
  3     23.4800000             -0.288255D-01     
  4      8.4880000             -0.694560D-01     
  5      3.2170000             -0.119493D+00     
  6      1.2290000             -0.199581D-01     
  7      0.2964000              0.510268D+00     
P   1
  1      0.0876800              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   1
  1      0.2750000              1.0000000        


name: maug-cc-pVDZ
elt: P
data:
PHOSPHOROUS
S   11
  1  94840.0000000              0.255509D-03     
  2  14220.0000000              0.198193D-02     
  3   3236.0000000              0.102760D-01     
  4    917.1000000              0.414823D-01     
  5    299.5000000              0.131984D+00     
  6    108.1000000              0.308662D+00     
  7     42.1800000              0.420647D+00     
  8     17.2800000              0.222878D+00     
  9      4.8580000              0.164035D-01     
 10      1.8180000             -0.254255D-02     
 11      0.3372000              0.748050D-03     
S   11
  1  94840.0000000             -0.696939D-04     
  2  14220.0000000             -0.535266D-03     
  3   3236.0000000             -0.283709D-02     
  4    917.1000000             -0.113983D-01     
  5    299.5000000             -0.392929D-01     
  6    108.1000000             -0.996364D-01     
  7     42.1800000             -0.197983D+00     
  8     17.2800000             -0.114860D+00     
  9      4.8580000              0.518595D+00     
 10      1.8180000              0.601847D+00     
 11      0.3372000              0.368612D-01     
S   11
  1  94840.0000000              0.191199D-04     
  2  14220.0000000              0.147223D-03     
  3   3236.0000000              0.777912D-03     
  4    917.1000000              0.314546D-02     
  5    299.5000000              0.108200D-01     
  6    108.1000000              0.279957D-01     
  7     42.1800000              0.563978D-01     
  8     17.2800000              0.358190D-01     
  9      4.8580000             -0.193387D+00     
 10      1.8180000             -0.372097D+00     
 11      0.3372000              0.624246D+00     
S   1
  1      0.1232000              1.0000000        
S   1
  1      0.0417000              1.0000000        
P   7
  1    370.5000000              0.395005D-02     
  2     87.3300000              0.302492D-01     
  3     27.5900000              0.129554D+00     
  4     10.0000000              0.327594D+00     
  5      3.8250000              0.456992D+00     
  6      1.4940000              0.253086D+00     
  7      0.3921000              0.168798D-01     
P   7
  1    370.5000000             -0.959832D-03     
  2     87.3300000             -0.711177D-02     
  3     27.5900000             -0.327122D-01     
  4     10.0000000             -0.795784D-01     
  5      3.8250000             -0.135016D+00     
  6      1.4940000             -0.910585D-02     
  7      0.3921000              0.537802D+00     
P   1
  1      0.1186000              1.0000000        
P   1
  1      0.0343000              1.0000000        
D   1
  1      0.3730000              1.0000000        


name: maug-cc-pVDZ
elt: S
data:
SULFUR
S   11
  1 110800.0000000              0.247635D-03     
  2  16610.0000000              0.192026D-02     
  3   3781.0000000              0.996192D-02     
  4   1071.0000000              0.402975D-01     
  5    349.8000000              0.128604D+00     
  6    126.3000000              0.303480D+00     
  7     49.2600000              0.421432D+00     
  8     20.1600000              0.230781D+00     
  9      5.7200000              0.178971D-01     
 10      2.1820000             -0.297516D-02     
 11      0.4327000              0.849522D-03     
S   11
  1 110800.0000000             -0.687039D-04     
  2  16610.0000000             -0.527681D-03     
  3   3781.0000000             -0.279671D-02     
  4   1071.0000000             -0.112651D-01     
  5    349.8000000             -0.388834D-01     
  6    126.3000000             -0.995025D-01     
  7     49.2600000             -0.199740D+00     
  8     20.1600000             -0.123360D+00     
  9      5.7200000              0.513194D+00     
 10      2.1820000              0.607120D+00     
 11      0.4327000              0.396753D-01     
S   11
  1 110800.0000000              0.199077D-04     
  2  16610.0000000              0.153483D-03     
  3   3781.0000000              0.809503D-03     
  4   1071.0000000              0.328974D-02     
  5    349.8000000              0.112967D-01     
  6    126.3000000              0.296385D-01     
  7     49.2600000              0.599851D-01     
  8     20.1600000              0.413248D-01     
  9      5.7200000             -0.207474D+00     
 10      2.1820000             -0.392889D+00     
 11      0.4327000              0.632840D+00     
S   1
  1      0.1570000              1.0000000        
S   1
  1      0.0507000              1.0000000        
P   7
  1    399.7000000              0.447541D-02     
  2     94.1900000              0.341708D-01     
  3     29.7500000              0.144250D+00     
  4     10.7700000              0.353928D+00     
  5      4.1190000              0.459085D+00     
  6      1.6250000              0.206383D+00     
  7      0.4726000              0.102141D-01     
P   7
  1    399.7000000             -0.116251D-02     
  2     94.1900000             -0.865664D-02     
  3     29.7500000             -0.390886D-01     
  4     10.7700000             -0.934625D-01     
  5      4.1190000             -0.147994D+00     
  6      1.6250000              0.301904D-01     
  7      0.4726000              0.561573D+00     
P   1
  1      0.1407000              1.0000000        
P   1
  1      0.0399000              1.0000000        
D   1
  1      0.4790000              1.0000000        


name: maug-cc-pVDZ
elt: Cl
data:
CHLORINE
S   11
  1 127900.0000000              0.241153D-03     
  2  19170.0000000              0.187095D-02     
  3   4363.0000000              0.970827D-02     
  4   1236.0000000              0.393153D-01     
  5    403.6000000              0.125932D+00     
  6    145.7000000              0.299341D+00     
  7     56.8100000              0.421886D+00     
  8     23.2300000              0.237201D+00     
  9      6.6440000              0.191531D-01     
 10      2.5750000             -0.334792D-02     
 11      0.5371000              0.929883D-03     
S   11
  1 127900.0000000             -0.678922D-04     
  2  19170.0000000             -0.521836D-03     
  3   4363.0000000             -0.276513D-02     
  4   1236.0000000             -0.111537D-01     
  5    403.6000000             -0.385919D-01     
  6    145.7000000             -0.994848D-01     
  7     56.8100000             -0.201392D+00     
  8     23.2300000             -0.130313D+00     
  9      6.6440000              0.509443D+00     
 10      2.5750000              0.610725D+00     
 11      0.5371000              0.421549D-01     
S   11
  1 127900.0000000              0.204986D-04     
  2  19170.0000000              0.158298D-03     
  3   4363.0000000              0.833639D-03     
  4   1236.0000000              0.339880D-02     
  5    403.6000000              0.116738D-01     
  6    145.7000000              0.309622D-01     
  7     56.8100000              0.629533D-01     
  8     23.2300000              0.460257D-01     
  9      6.6440000             -0.219312D+00     
 10      2.5750000             -0.408773D+00     
 11      0.5371000              0.638465D+00     
S   1
  1      0.1938000              1.0000000        
S   1
  1      0.0608000              1.0000000        
P   7
  1    417.6000000              0.525982D-02     
  2     98.3300000              0.398332D-01     
  3     31.0400000              0.164655D+00     
  4     11.1900000              0.387322D+00     
  5      4.2490000              0.457072D+00     
  6      1.6240000              0.151636D+00     
  7      0.5322000              0.181615D-02     
P   7
  1    417.6000000             -0.143570D-02     
  2     98.3300000             -0.107796D-01     
  3     31.0400000             -0.470075D-01     
  4     11.1900000             -0.111030D+00     
  5      4.2490000             -0.153275D+00     
  6      1.6240000              0.894609D-01     
  7      0.5322000              0.579444D+00     
P   1
  1      0.1620000              1.0000000        
P   1
  1      0.0466000              1.0000000        
D   1
  1      0.6000000              1.0000000        


name: maug-cc-pVDZ
elt: Ar
data:
ARGON
S   11
  1 145700.0000000              0.236700D-03     
  2  21840.0000000              0.183523D-02     
  3   4972.0000000              0.952860D-02     
  4   1408.0000000              0.386283D-01     
  5    459.7000000              0.124081D+00     
  6    165.9000000              0.296471D+00     
  7     64.6900000              0.422068D+00     
  8     26.4400000              0.241711D+00     
  9      7.6280000              0.200509D-01     
 10      2.9960000             -0.361000D-02     
 11      0.6504000              0.975607D-03     
S   11
  1 145700.0000000             -0.674910D-04     
  2  21840.0000000             -0.518522D-03     
  3   4972.0000000             -0.274825D-02     
  4   1408.0000000             -0.111007D-01     
  5    459.7000000             -0.384820D-01     
  6    165.9000000             -0.997599D-01     
  7     64.6900000             -0.203088D+00     
  8     26.4400000             -0.135608D+00     
  9      7.6280000              0.507195D+00     
 10      2.9960000              0.612898D+00     
 11      0.6504000              0.442968D-01     
S   11
  1 145700.0000000              0.210457D-04     
  2  21840.0000000              0.162565D-03     
  3   4972.0000000              0.855463D-03     
  4   1408.0000000              0.349745D-02     
  5    459.7000000              0.120156D-01     
  6    165.9000000              0.321368D-01     
  7     64.6900000              0.655279D-01     
  8     26.4400000              0.499370D-01     
  9      7.6280000             -0.229769D+00     
 10      2.9960000             -0.421006D+00     
 11      0.6504000              0.642331D+00     
S   1
  1      0.2337000              1.0000000        
S   1
  1      0.0709000              1.0000000        
P   7
  1    453.7000000              0.570555D-02     
  2    106.8000000              0.430460D-01     
  3     33.7300000              0.176591D+00     
  4     12.1300000              0.406863D+00     
  5      4.5940000              0.452549D+00     
  6      1.6780000              0.122801D+00     
  7      0.5909000             -0.445996D-02     
P   7
  1    453.7000000             -0.160655D-02     
  2    106.8000000             -0.121714D-01     
  3     33.7300000             -0.520789D-01     
  4     12.1300000             -0.123737D+00     
  5      4.5940000             -0.151619D+00     
  6      1.6780000              0.142425D+00     
  7      0.5909000              0.584501D+00     
P   1
  1      0.1852000              1.0000000        
P   1
  1      0.0533000              1.0000000        
D   1
  1      0.7380000              1.0000000        


name: maug-cc-pVQZ
elt: H
description:
maug-cc-pVQZ basis set is the cc-pVQZ basis set of Dunning and coworkers augmented with only s and p diffuse functions on the heavy atoms. This basis set is called minimally augmented cc-pVQZ, which we abbreviate maug-cc-pVQZ


name: maug-cc-pVQZ
elt: Al
data:
ALUMINUM
S   13
  1 419600.0000000              0.278219D-04     
  2  62830.0000000              0.216330D-03     
  3  14290.0000000              0.113754D-02     
  4   4038.0000000              0.479635D-02     
  5   1312.0000000              0.172389D-01     
  6    470.5000000              0.538066D-01     
  7    181.8000000              0.141326D+00     
  8     74.4600000              0.289268D+00     
  9     31.9000000              0.384825D+00     
 10     13.9600000              0.232852D+00     
 11      5.1800000              0.293330D-01     
 12      2.2650000             -0.300574D-02     
 13      0.9664000              0.166673D-02     
S   13
  1 419600.0000000             -0.723754D-05     
  2  62830.0000000             -0.561733D-04     
  3  14290.0000000             -0.296528D-03     
  4   4038.0000000             -0.124913D-02     
  5   1312.0000000             -0.455101D-02     
  6    470.5000000             -0.144393D-01     
  7    181.8000000             -0.403464D-01     
  8     74.4600000             -0.922618D-01     
  9     31.9000000             -0.164510D+00     
 10     13.9600000             -0.141296D+00     
 11      5.1800000              0.195365D+00     
 12      2.2650000              0.572475D+00     
 13      0.9664000              0.374041D+00     
S   13
  1 419600.0000000              0.167150D-05     
  2  62830.0000000              0.129641D-04     
  3  14290.0000000              0.685101D-04     
  4   4038.0000000              0.288274D-03     
  5   1312.0000000              0.105276D-02     
  6    470.5000000              0.333878D-02     
  7    181.8000000              0.939217D-02     
  8     74.4600000              0.216047D-01     
  9     31.9000000              0.395873D-01     
 10     13.9600000              0.349180D-01     
 11      5.1800000             -0.528415D-01     
 12      2.2650000             -0.191878D+00     
 13      0.9664000             -0.254115D+00     
S   1
  1      0.2447000              1.0000000        
S   1
  1      0.1184000              1.0000000        
S   1
  1      0.0502100              1.0000000        
S   1
  1      0.0183000              1.0000000        
P   8
  1    891.3000000              0.491755D-03     
  2    211.3000000              0.415843D-02     
  3     68.2800000              0.212538D-01     
  4     25.7000000              0.764058D-01     
  5     10.6300000              0.194277D+00     
  6      4.6020000              0.334428D+00     
  7      2.0150000              0.375026D+00     
  8      0.8706000              0.204041D+00     
P   8
  1    891.3000000             -0.888695D-04     
  2    211.3000000             -0.745823D-03     
  3     68.2800000             -0.387025D-02     
  4     25.7000000             -0.139350D-01     
  5     10.6300000             -0.366860D-01     
  6      4.6020000             -0.627797D-01     
  7      2.0150000             -0.789602D-01     
  8      0.8706000             -0.288589D-01     
P   1
  1      0.2972000              1.0000000        
P   1
  1      0.1100000              1.0000000        
P   1
  1      0.0398900              1.0000000        
P   1
  1      0.0121000              1.0000000        
D   1
  1      0.0804000              1.0000000        
D   1
  1      0.1990000              1.0000000        
D   1
  1      0.4940000              1.0000000        
F   1
  1      0.1540000              1.0000000        
F   1
  1      0.4010000              1.0000000        
G   1
  1      0.3570000              1.0000000        


name: maug-cc-pVQZ
elt: Si
data:
SILICON
S   13
  1 513000.0000000              0.260920D-04     
  2  76820.0000000              0.202905D-03     
  3  17470.0000000              0.106715D-02     
  4   4935.0000000              0.450597D-02     
  5   1602.0000000              0.162359D-01     
  6    574.1000000              0.508913D-01     
  7    221.5000000              0.135155D+00     
  8     90.5400000              0.281292D+00     
  9     38.7400000              0.385336D+00     
 10     16.9500000              0.245651D+00     
 11      6.4520000              0.343145D-01     
 12      2.8740000             -0.334884D-02     
 13      1.2500000              0.187625D-02     
S   13
  1 513000.0000000             -0.694880D-05     
  2  76820.0000000             -0.539641D-04     
  3  17470.0000000             -0.284716D-03     
  4   4935.0000000             -0.120203D-02     
  5   1602.0000000             -0.438397D-02     
  6    574.1000000             -0.139776D-01     
  7    221.5000000             -0.393516D-01     
  8     90.5400000             -0.914283D-01     
  9     38.7400000             -0.165609D+00     
 10     16.9500000             -0.152505D+00     
 11      6.4520000              0.168524D+00     
 12      2.8740000              0.569284D+00     
 13      1.2500000              0.398056D+00     
S   13
  1 513000.0000000              0.178068D-05     
  2  76820.0000000              0.138148D-04     
  3  17470.0000000              0.730005D-04     
  4   4935.0000000              0.307666D-03     
  5   1602.0000000              0.112563D-02     
  6    574.1000000              0.358435D-02     
  7    221.5000000              0.101728D-01     
  8     90.5400000              0.237520D-01     
  9     38.7400000              0.443483D-01     
 10     16.9500000              0.419041D-01     
 11      6.4520000             -0.502504D-01     
 12      2.8740000             -0.216578D+00     
 13      1.2500000             -0.286448D+00     
S   1
  1      0.3599000              1.0000000        
S   1
  1      0.1699000              1.0000000        
S   1
  1      0.0706600              1.0000000        
S   1
  1      0.0275000              1.0000000        
P   8
  1   1122.0000000              0.448143D-03     
  2    266.0000000              0.381639D-02     
  3     85.9200000              0.198105D-01     
  4     32.3300000              0.727017D-01     
  5     13.3700000              0.189839D+00     
  6      5.8000000              0.335672D+00     
  7      2.5590000              0.379365D+00     
  8      1.1240000              0.201193D+00     
P   8
  1   1122.0000000             -0.964883D-04     
  2    266.0000000             -0.811971D-03     
  3     85.9200000             -0.430087D-02     
  4     32.3300000             -0.157502D-01     
  5     13.3700000             -0.429541D-01     
  6      5.8000000             -0.752574D-01     
  7      2.5590000             -0.971446D-01     
  8      1.1240000             -0.227507D-01     
P   1
  1      0.3988000              1.0000000        
P   1
  1      0.1533000              1.0000000        
P   1
  1      0.0572800              1.0000000        
P   1
  1      0.0200000              1.0000000        
D   1
  1      0.1200000              1.0000000        
D   1
  1      0.3020000              1.0000000        
D   1
  1      0.7600000              1.0000000        
F   1
  1      0.2120000              1.0000000        
F   1
  1      0.5410000              1.0000000        
G   1
  1      0.4610000              1.0000000        


name: maug-cc-pVQZ
elt: P
data:
PHOSPHOROUS
S   13
  1 615200.0000000              0.247450D-04     
  2  92120.0000000              0.192465D-03     
  3  20950.0000000              0.101202D-02     
  4   5920.0000000              0.427261D-02     
  5   1922.0000000              0.154161D-01     
  6    688.0000000              0.485976D-01     
  7    265.0000000              0.130060D+00     
  8    108.2000000              0.274514D+00     
  9     46.2200000              0.385402D+00     
 10     20.2300000              0.255934D+00     
 11      7.8590000              0.391237D-01     
 12      3.5470000             -0.368010D-02     
 13      1.5640000              0.208211D-02     
S   13
  1 615200.0000000             -0.672205D-05     
  2  92120.0000000             -0.522311D-04     
  3  20950.0000000             -0.275361D-03     
  4   5920.0000000             -0.116307D-02     
  5   1922.0000000             -0.424281D-02     
  6    688.0000000             -0.136114D-01     
  7    265.0000000             -0.385114D-01     
  8    108.2000000             -0.906643D-01     
  9     46.2200000             -0.166584D+00     
 10     20.2300000             -0.161447D+00     
 11      7.8590000              0.146781D+00     
 12      3.5470000              0.566682D+00     
 13      1.5640000              0.416433D+00     
S   13
  1 615200.0000000              0.184740D-05     
  2  92120.0000000              0.143380D-04     
  3  20950.0000000              0.757228D-04     
  4   5920.0000000              0.319205D-03     
  5   1922.0000000              0.116851D-02     
  6    688.0000000              0.374267D-02     
  7    265.0000000              0.106817D-01     
  8    108.2000000              0.252657D-01     
  9     46.2200000              0.479283D-01     
 10     20.2300000              0.477096D-01     
 11      7.8590000             -0.466525D-01     
 12      3.5470000             -0.234968D+00     
 13      1.5640000             -0.311337D+00     
S   1
  1      0.4888000              1.0000000        
S   1
  1      0.2266000              1.0000000        
S   1
  1      0.0933100              1.0000000        
S   1
  1      0.0354000              1.0000000        
P   8
  1   1367.0000000              0.421015D-03     
  2    324.0000000              0.360985D-02     
  3    104.6000000              0.189217D-01     
  4     39.3700000              0.705560D-01     
  5     16.2600000              0.188157D+00     
  6      7.0560000              0.338709D+00     
  7      3.1300000              0.381943D+00     
  8      1.3940000              0.195261D+00     
P   8
  1   1367.0000000             -0.100827D-03     
  2    324.0000000             -0.854499D-03     
  3    104.6000000             -0.457116D-02     
  4     39.3700000             -0.170327D-01     
  5     16.2600000             -0.475204D-01     
  6      7.0560000             -0.852786D-01     
  7      3.1300000             -0.109676D+00     
  8      1.3940000             -0.161181D-01     
P   1
  1      0.5179000              1.0000000        
P   1
  1      0.2032000              1.0000000        
P   1
  1      0.0769800              1.0000000        
P   1
  1      0.0272000              1.0000000        
D   1
  1      0.1650000              1.0000000        
D   1
  1      0.4130000              1.0000000        
D   1
  1      1.0360000              1.0000000        
F   1
  1      0.2800000              1.0000000        
F   1
  1      0.7030000              1.0000000        
G   1
  1      0.5970000              1.0000000        


name: maug-cc-pVQZ
elt: S
data:
SULFUR
S   13
  1 727800.0000000              0.236025D-04     
  2 109000.0000000              0.183482D-03     
  3  24800.0000000              0.964278D-03     
  4   7014.0000000              0.406537D-02     
  5   2278.0000000              0.146973D-01     
  6    814.7000000              0.465081D-01     
  7    313.4000000              0.125508D+00     
  8    127.7000000              0.268433D+00     
  9     54.4800000              0.384809D+00     
 10     23.8500000              0.265372D+00     
 11      9.4280000              0.437326D-01     
 12      4.2900000             -0.378807D-02     
 13      1.9090000              0.218083D-02     
S   13
  1 727800.0000000             -0.652179D-05     
  2 109000.0000000             -0.506631D-04     
  3  24800.0000000             -0.266833D-03     
  4   7014.0000000             -0.112601D-02     
  5   2278.0000000             -0.411186D-02     
  6    814.7000000             -0.132454D-01     
  7    313.4000000             -0.377004D-01     
  8    127.7000000             -0.898554D-01     
  9     54.4800000             -0.167098D+00     
 10     23.8500000             -0.169354D+00     
 11      9.4280000              0.127824D+00     
 12      4.2900000              0.564862D+00     
 13      1.9090000              0.431767D+00     
S   13
  1 727800.0000000              0.189406D-05     
  2 109000.0000000              0.146948D-04     
  3  24800.0000000              0.775460D-04     
  4   7014.0000000              0.326509D-03     
  5   2278.0000000              0.119686D-02     
  6    814.7000000              0.384799D-02     
  7    313.4000000              0.110539D-01     
  8    127.7000000              0.264645D-01     
  9     54.4800000              0.508771D-01     
 10     23.8500000              0.530030D-01     
 11      9.4280000             -0.425518D-01     
 12      4.2900000             -0.250853D+00     
 13      1.9090000             -0.333152D+00     
S   1
  1      0.6270000              1.0000000        
S   1
  1      0.2873000              1.0000000        
S   1
  1      0.1172000              1.0000000        
S   1
  1      0.0428000              1.0000000        
P   8
  1   1546.0000000              0.441183D-03     
  2    366.4000000              0.377571D-02     
  3    118.4000000              0.198360D-01     
  4     44.5300000              0.742063D-01     
  5     18.3800000              0.197327D+00     
  6      7.9650000              0.351851D+00     
  7      3.5410000              0.378687D+00     
  8      1.5910000              0.170931D+00     
P   8
  1   1546.0000000             -0.113110D-03     
  2    366.4000000             -0.958581D-03     
  3    118.4000000             -0.513471D-02     
  4     44.5300000             -0.192641D-01     
  5     18.3800000             -0.535980D-01     
  6      7.9650000             -0.960333D-01     
  7      3.5410000             -0.118183D+00     
  8      1.5910000              0.923194D-02     
P   1
  1      0.6205000              1.0000000        
P   1
  1      0.2420000              1.0000000        
P   1
  1      0.0901400              1.0000000        
P   1
  1      0.0317000              1.0000000        
D   1
  1      0.2030000              1.0000000        
D   1
  1      0.5040000              1.0000000        
D   1
  1      1.2500000              1.0000000        
F   1
  1      0.3350000              1.0000000        
F   1
  1      0.8690000              1.0000000        
G   1
  1      0.6830000              1.0000000        


name: maug-cc-pVQZ
elt: Cl
data:
CHLORINE
S   13
  1 834900.0000000              0.231688D-04     
  2 125000.0000000              0.180154D-03     
  3  28430.0000000              0.947782D-03     
  4   8033.0000000              0.400139D-02     
  5   2608.0000000              0.144629D-01     
  6    933.9000000              0.456586D-01     
  7    360.0000000              0.123248D+00     
  8    147.0000000              0.264369D+00     
  9     62.8800000              0.382989D+00     
 10     27.6000000              0.270934D+00     
 11     11.0800000              0.471404D-01     
 12      5.0750000             -0.371766D-02     
 13      2.2780000              0.219158D-02     
S   13
  1 834900.0000000             -0.649649D-05     
  2 125000.0000000             -0.504895D-04     
  3  28430.0000000             -0.266113D-03     
  4   8033.0000000             -0.112499D-02     
  5   2608.0000000             -0.410497D-02     
  6    933.9000000             -0.131987D-01     
  7    360.0000000             -0.375342D-01     
  8    147.0000000             -0.897233D-01     
  9     62.8800000             -0.167671D+00     
 10     27.6000000             -0.174763D+00     
 11     11.0800000              0.114909D+00     
 12      5.0750000              0.563618D+00     
 13      2.2780000              0.441606D+00     
S   13
  1 834900.0000000              0.196645D-05     
  2 125000.0000000              0.152620D-04     
  3  28430.0000000              0.806086D-04     
  4   8033.0000000              0.339960D-03     
  5   2608.0000000              0.124551D-02     
  6    933.9000000              0.399612D-02     
  7    360.0000000              0.114751D-01     
  8    147.0000000              0.275504D-01     
  9     62.8800000              0.532917D-01     
 10     27.6000000              0.571246D-01     
 11     11.0800000             -0.395201D-01     
 12      5.0750000             -0.264343D+00     
 13      2.2780000             -0.349291D+00     
S   1
  1      0.7775000              1.0000000        
S   1
  1      0.3527000              1.0000000        
S   1
  1      0.1431000              1.0000000        
S   1
  1      0.0519000              1.0000000        
P   8
  1   1703.0000000              0.474039D-03     
  2    403.6000000              0.406412D-02     
  3    130.3000000              0.213355D-01     
  4     49.0500000              0.794611D-01     
  5     20.2600000              0.208927D+00     
  6      8.7870000              0.364945D+00     
  7      3.9190000              0.371725D+00     
  8      1.7650000              0.146292D+00     
P   8
  1   1703.0000000             -0.128266D-03     
  2    403.6000000             -0.109356D-02     
  3    130.3000000             -0.583429D-02     
  4     49.0500000             -0.219258D-01     
  5     20.2600000             -0.601385D-01     
  6      8.7870000             -0.106929D+00     
  7      3.9190000             -0.122454D+00     
  8      1.7650000              0.383619D-01     
P   1
  1      0.7207000              1.0000000        
P   1
  1      0.2839000              1.0000000        
P   1
  1      0.1060000              1.0000000        
P   1
  1      0.0376000              1.0000000        
D   1
  1      0.2540000              1.0000000        
D   1
  1      0.6280000              1.0000000        
D   1
  1      1.5510000              1.0000000        
F   1
  1      0.4230000              1.0000000        
F   1
  1      1.0890000              1.0000000        
G   1
  1      0.8270000              1.0000000        


name: maug-cc-pVQZ
elt: Ar
data:
ARGON
S   13
  1 950600.0000000              0.227545D-04     
  2 142300.0000000              0.176945D-03     
  3  32360.0000000              0.931282D-03     
  4   9145.0000000              0.392860D-02     
  5   2970.0000000              0.142064D-01     
  6   1064.0000000              0.448114D-01     
  7    410.8000000              0.121001D+00     
  8    168.0000000              0.260579D+00     
  9     71.9900000              0.381364D+00     
 10     31.6700000              0.276058D+00     
 11     12.8900000              0.505179D-01     
 12      5.9290000             -0.359866D-02     
 13      2.6780000              0.218798D-02     
S   13
  1 950600.0000000             -0.646201D-05     
  2 142300.0000000             -0.502346D-04     
  3  32360.0000000             -0.264804D-03     
  4   9145.0000000             -0.111895D-02     
  5   2970.0000000             -0.408276D-02     
  6   1064.0000000             -0.131216D-01     
  7    410.8000000             -0.372855D-01     
  8    168.0000000             -0.894709D-01     
  9     71.9900000             -0.168054D+00     
 10     31.6700000             -0.179594D+00     
 11     12.8900000              0.102953D+00     
 12      5.9290000              0.562630D+00     
 13      2.6780000              0.450355D+00     
S   13
  1 950600.0000000              0.202056D-05     
  2 142300.0000000              0.156851D-04     
  3  32360.0000000              0.828617D-04     
  4   9145.0000000              0.349264D-03     
  5   2970.0000000              0.127976D-02     
  6   1064.0000000              0.410365D-02     
  7    410.8000000              0.117789D-01     
  8    168.0000000              0.283868D-01     
  9     71.9900000              0.552406D-01     
 10     31.6700000              0.607492D-01     
 11     12.8900000             -0.362012D-01     
 12      5.9290000             -0.275398D+00     
 13      2.6780000             -0.362845D+00     
S   1
  1      0.9416000              1.0000000        
S   1
  1      0.4239000              1.0000000        
S   1
  1      0.1714000              1.0000000        
S   1
  1      0.0610000              1.0000000        
P   8
  1   1890.0000000              0.495752D-03     
  2    447.8000000              0.425172D-02     
  3    144.6000000              0.223277D-01     
  4     54.4600000              0.830878D-01     
  5     22.5100000              0.217110D+00     
  6      9.7740000              0.374507D+00     
  7      4.3680000              0.366445D+00     
  8      1.9590000              0.129245D+00     
P   8
  1   1890.0000000             -0.138863D-03     
  2    447.8000000             -0.118870D-02     
  3    144.6000000             -0.632553D-02     
  4     54.4600000             -0.238813D-01     
  5     22.5100000             -0.649238D-01     
  6      9.7740000             -0.115444D+00     
  7      4.3680000             -0.123651D+00     
  8      1.9590000              0.649055D-01     
P   1
  1      0.8260000              1.0000000        
P   1
  1      0.3297000              1.0000000        
P   1
  1      0.1242000              1.0000000        
P   1
  1      0.0435000              1.0000000        
D   1
  1      0.3110000              1.0000000        
D   1
  1      0.7630000              1.0000000        
D   1
  1      1.8730000              1.0000000        
F   1
  1      0.5430000              1.0000000        
F   1
  1      1.3250000              1.0000000        
G   1
  1      1.0070000              1.0000000        


name: maug-cc-pVTZ
elt: H
description:
maug-cc-pVTZ basis set is the cc-pVTZ basis set of Dunning and coworkers augmented with only s and p diffuse functions on the heavy atoms. This basis set is called minimally augmented cc-pVTZ, which we abbreviate maug-cc-pVTZ.


name: maug-cc-pVTZ
elt: Al
data:
ALUMINUM
S   13
  1 205500.0000000              0.678836D-04     
  2  30780.0000000              0.527149D-03     
  3   7006.0000000              0.276203D-02     
  4   1985.0000000              0.114728D-01     
  5    649.1000000              0.398188D-01     
  6    235.0000000              0.115040D+00     
  7     91.6200000              0.260887D+00     
  8     37.6700000              0.396386D+00     
  9     15.9100000              0.284597D+00     
 10      5.8500000              0.444583D-01     
 11      2.5420000             -0.489838D-02     
 12      1.0570000              0.261253D-02     
 13      0.1455000              0.722068D-03     
S   13
  1 205500.0000000             -0.176377D-04     
  2  30780.0000000             -0.137195D-03     
  3   7006.0000000             -0.718910D-03     
  4   1985.0000000             -0.301146D-02     
  5    649.1000000             -0.106014D-01     
  6    235.0000000             -0.321345D-01     
  7     91.6200000             -0.803156D-01     
  8     37.6700000             -0.156794D+00     
  9     15.9100000             -0.168376D+00     
 10      5.8500000              0.126879D+00     
 11      2.5420000              0.561494D+00     
 12      1.0570000              0.436613D+00     
 13      0.1455000             -0.114563D-01     
S   13
  1 205500.0000000              0.407315D-05     
  2  30780.0000000              0.316566D-04     
  3   7006.0000000              0.166116D-03     
  4   1985.0000000              0.694992D-03     
  5    649.1000000              0.245511D-02     
  6    235.0000000              0.744598D-02     
  7     91.6200000              0.188253D-01     
  8     37.6700000              0.372772D-01     
  9     15.9100000              0.419496D-01     
 10      5.8500000             -0.354375D-01     
 11      2.5420000             -0.175132D+00     
 12      1.0570000             -0.276203D+00     
 13      0.1455000              0.652809D+00     
S   1
  1      0.2931000              1.0000000        
S   1
  1      0.0565000              1.0000000        
S   1
  1      0.0221000              1.0000000        
P   7
  1    444.4000000              0.162786D-02     
  2    105.1000000              0.130687D-01     
  3     33.4700000              0.612341D-01     
  4     12.3300000              0.187870D+00     
  5      4.8690000              0.360452D+00     
  6      1.9610000              0.408454D+00     
  7      0.1888000              0.976514D-02     
P   7
  1    444.4000000             -0.286341D-03     
  2    105.1000000             -0.242308D-02     
  3     33.4700000             -0.108658D-01     
  4     12.3300000             -0.364307D-01     
  5      4.8690000             -0.641074D-01     
  6      1.9610000             -0.972239D-01     
  7      0.1888000              0.503448D+00     
P   1
  1      0.7834000              1.0000000        
P   1
  1      0.0555700              1.0000000        
P   1
  1      0.0146000              1.0000000        
D   1
  1      0.1090000              1.0000000        
D   1
  1      0.3330000              1.0000000        
F   1
  1      0.2440000              1.0000000        


name: maug-cc-pVTZ
elt: Si
data:
SILICON
S   13
  1 254900.0000000              0.625101D-04     
  2  38190.0000000              0.485553D-03     
  3   8690.0000000              0.254516D-02     
  4   2462.0000000              0.105866D-01     
  5    804.8000000              0.368787D-01     
  6    291.3000000              0.107479D+00     
  7    113.6000000              0.247936D+00     
  8     46.7500000              0.390927D+00     
  9     19.8200000              0.302026D+00     
 10      7.7080000              0.559236D-01     
 11      3.3400000             -0.402406D-02     
 12      1.4020000              0.258030D-02     
 13      0.2070000              0.607930D-03     
S   13
  1 254900.0000000             -0.166370D-04     
  2  38190.0000000             -0.129310D-03     
  3   8690.0000000             -0.678828D-03     
  4   2462.0000000             -0.284117D-02     
  5    804.8000000             -0.100551D-01     
  6    291.3000000             -0.305774D-01     
  7    113.6000000             -0.777256D-01     
  8     46.7500000             -0.154236D+00     
  9     19.8200000             -0.180368D+00     
 10      7.7080000              0.798218D-01     
 11      3.3400000              0.547441D+00     
 12      1.4020000              0.480119D+00     
 13      0.2070000             -0.106996D-01     
S   13
  1 254900.0000000              0.426257D-05     
  2  38190.0000000              0.331062D-04     
  3   8690.0000000              0.174015D-03     
  4   2462.0000000              0.727574D-03     
  5    804.8000000              0.258333D-02     
  6    291.3000000              0.786354D-02     
  7    113.6000000              0.202155D-01     
  8     46.7500000              0.407320D-01     
  9     19.8200000              0.499358D-01     
 10      7.7080000             -0.249396D-01     
 11      3.3400000             -0.190350D+00     
 12      1.4020000             -0.318350D+00     
 13      0.2070000              0.681180D+00     
S   1
  1      0.4387000              1.0000000        
S   1
  1      0.0794400              1.0000000        
S   1
  1      0.0330000              1.0000000        
P   7
  1    481.5000000              0.192045D-02     
  2    113.9000000              0.153552D-01     
  3     36.2300000              0.713991D-01     
  4     13.3400000              0.213052D+00     
  5      5.2520000              0.390354D+00     
  6      2.1200000              0.393721D+00     
  7      0.2528000              0.395630D-02     
P   7
  1    481.5000000             -0.405220D-03     
  2    113.9000000             -0.335896D-02     
  3     36.2300000             -0.152860D-01     
  4     13.3400000             -0.489218D-01     
  5      5.2520000             -0.855008D-01     
  6      2.1200000             -0.112137D+00     
  7      0.2528000              0.551919D+00     
P   1
  1      0.8561000              1.0000000        
P   1
  1      0.0788900              1.0000000        
P   1
  1      0.0237000              1.0000000        
D   1
  1      0.1590000              1.0000000        
D   1
  1      0.4810000              1.0000000        
F   1
  1      0.3360000              1.0000000        


name: maug-cc-pVTZ
elt: P
data:
PHOSPHOROUS
S   13
  1 312400.0000000              0.576960D-04     
  2  46800.0000000              0.448296D-03     
  3  10650.0000000              0.234939D-02     
  4   3018.0000000              0.978265D-02     
  5    986.8000000              0.341467D-01     
  6    357.4000000              0.100204D+00     
  7    139.6000000              0.234372D+00     
  8     57.6300000              0.382434D+00     
  9     24.6000000              0.318088D+00     
 10     10.1200000              0.707788D-01     
 11      4.2830000             -0.181799D-02     
 12      1.8050000              0.216180D-02     
 13      0.2782000              0.432297D-03     
S   13
  1 312400.0000000             -0.156709D-04     
  2  46800.0000000             -0.121724D-03     
  3  10650.0000000             -0.639672D-03     
  4   3018.0000000             -0.267426D-02     
  5    986.8000000             -0.949831D-02     
  6    357.4000000             -0.289349D-01     
  7    139.6000000             -0.745121D-01     
  8     57.6300000             -0.149938D+00     
  9     24.6000000             -0.189467D+00     
 10     10.1200000              0.363270D-01     
 11      4.2830000              0.528816D+00     
 12      1.8050000              0.519115D+00     
 13      0.2782000             -0.925695D-02     
S   13
  1 312400.0000000              0.430631D-05     
  2  46800.0000000              0.334194D-04     
  3  10650.0000000              0.175885D-03     
  4   3018.0000000              0.734340D-03     
  5    986.8000000              0.261775D-02     
  6    357.4000000              0.797852D-02     
  7    139.6000000              0.207940D-01     
  8     57.6300000              0.424446D-01     
  9     24.6000000              0.563436D-01     
 10     10.1200000             -0.127358D-01     
 11      4.2830000             -0.196495D+00     
 12      1.8050000             -0.353555D+00     
 13      0.2782000              0.700912D+00     
S   1
  1      0.6158000              1.0000000        
S   1
  1      0.1055000              1.0000000        
S   1
  1      0.0409000              1.0000000        
P   7
  1    504.9000000              0.233728D-02     
  2    119.4000000              0.185410D-01     
  3     37.9600000              0.849693D-01     
  4     13.9500000              0.244615D+00     
  5      5.4570000              0.422766D+00     
  6      2.1770000              0.368439D+00     
  7      0.2877000             -0.379005D-02     
P   7
  1    504.9000000             -0.555236D-03     
  2    119.4000000             -0.445913D-02     
  3     37.9600000             -0.206350D-01     
  4     13.9500000             -0.617694D-01     
  5      5.4570000             -0.108924D+00     
  6      2.1770000             -0.105599D+00     
  7      0.2877000              0.576981D+00     
P   1
  1      0.8010000              1.0000000        
P   1
  1      0.0971400              1.0000000        
P   1
  1      0.0307000              1.0000000        
D   1
  1      0.2160000              1.0000000        
D   1
  1      0.6520000              1.0000000        
F   1
  1      0.4520000              1.0000000        


name: maug-cc-pVTZ
elt: S
data:
SULFUR
S   13
  1 374100.0000000              0.542140D-04     
  2  56050.0000000              0.420855D-03     
  3  12760.0000000              0.220698D-02     
  4   3615.0000000              0.919258D-02     
  5   1183.0000000              0.321123D-01     
  6    428.8000000              0.946683D-01     
  7    167.8000000              0.223630D+00     
  8     69.4700000              0.374393D+00     
  9     29.8400000              0.329108D+00     
 10     12.7200000              0.847038D-01     
 11      5.2440000              0.440851D-03     
 12      2.2190000              0.164827D-02     
 13      0.3490000              0.301306D-03     
S   13
  1 374100.0000000             -0.149837D-04     
  2  56050.0000000             -0.116198D-03     
  3  12760.0000000             -0.611583D-03     
  4   3615.0000000             -0.255370D-02     
  5   1183.0000000             -0.908708D-02     
  6    428.8000000             -0.277045D-01     
  7    167.8000000             -0.720020D-01     
  8     69.4700000             -0.146439D+00     
  9     29.8400000             -0.195150D+00     
 10     12.7200000              0.819193D-02     
 11      5.2440000              0.516601D+00     
 12      2.2190000              0.542178D+00     
 13      0.3490000             -0.918072D-02     
S   13
  1 374100.0000000              0.435066D-05     
  2  56050.0000000              0.337140D-04     
  3  12760.0000000              0.177674D-03     
  4   3615.0000000              0.741116D-03     
  5   1183.0000000              0.264591D-02     
  6    428.8000000              0.807487D-02     
  7    167.8000000              0.212276D-01     
  8     69.4700000              0.438323D-01     
  9     29.8400000              0.612716D-01     
 10     12.7200000             -0.361510D-02     
 11      5.2440000             -0.204510D+00     
 12      2.2190000             -0.381871D+00     
 13      0.3490000              0.714147D+00     
S   1
  1      0.7767000              1.0000000        
S   1
  1      0.1322000              1.0000000        
S   1
  1      0.0497000              1.0000000        
P   7
  1    574.4000000              0.242264D-02     
  2    135.8000000              0.192796D-01     
  3     43.1900000              0.885401D-01     
  4     15.8700000              0.254654D+00     
  5      6.2080000              0.433984D+00     
  6      2.4830000              0.354953D+00     
  7      0.3229000             -0.502977D-02     
P   7
  1    574.4000000             -0.620102D-03     
  2    135.8000000             -0.493882D-02     
  3     43.1900000             -0.232647D-01     
  4     15.8700000             -0.685195D-01     
  5      6.2080000             -0.123896D+00     
  6      2.4830000             -0.969499D-01     
  7      0.3229000              0.569394D+00     
P   1
  1      0.8688000              1.0000000        
P   1
  1      0.1098000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   1
  1      0.2690000              1.0000000        
D   1
  1      0.8190000              1.0000000        
F   1
  1      0.5570000              1.0000000        


name: maug-cc-pVTZ
elt: Cl
data:
CHLORINE
S   13
  1 456100.0000000              0.492970D-04     
  2  68330.0000000              0.383029D-03     
  3  15550.0000000              0.200854D-02     
  4   4405.0000000              0.838558D-02     
  5   1439.0000000              0.294703D-01     
  6    520.4000000              0.878325D-01     
  7    203.1000000              0.211473D+00     
  8     83.9600000              0.365364D+00     
  9     36.2000000              0.340884D+00     
 10     15.8300000              0.102133D+00     
 11      6.3340000              0.311675D-02     
 12      2.6940000              0.105751D-02     
 13      0.4313000              0.156136D-03     
S   13
  1 456100.0000000             -0.138304D-04     
  2  68330.0000000             -0.107279D-03     
  3  15550.0000000             -0.565083D-03     
  4   4405.0000000             -0.236135D-02     
  5   1439.0000000             -0.845886D-02     
  6    520.4000000             -0.259638D-01     
  7    203.1000000             -0.686362D-01     
  8     83.9600000             -0.141874D+00     
  9     36.2000000             -0.199319D+00     
 10     15.8300000             -0.195662D-01     
 11      6.3340000              0.499741D+00     
 12      2.6940000              0.563736D+00     
 13      0.4313000             -0.835091D-02     
S   13
  1 456100.0000000              0.418546D-05     
  2  68330.0000000              0.324395D-04     
  3  15550.0000000              0.171105D-03     
  4   4405.0000000              0.714176D-03     
  5   1439.0000000              0.256705D-02     
  6    520.4000000              0.788552D-02     
  7    203.1000000              0.210867D-01     
  8     83.9600000              0.442264D-01     
  9     36.2000000              0.651670D-01     
 10     15.8300000              0.603012D-02     
 11      6.3340000             -0.206495D+00     
 12      2.6940000             -0.405871D+00     
 13      0.4313000              0.725661D+00     
S   1
  1      0.9768000              1.0000000        
S   1
  1      0.1625000              1.0000000        
S   1
  1      0.0591000              1.0000000        
P   7
  1    663.3000000              0.240448D-02     
  2    156.8000000              0.192148D-01     
  3     49.9800000              0.885097D-01     
  4     18.4200000              0.256020D+00     
  5      7.2400000              0.436927D+00     
  6      2.9220000              0.350334D+00     
  7      0.3818000             -0.458423D-02     
P   7
  1    663.3000000             -0.652145D-03     
  2    156.8000000             -0.519445D-02     
  3     49.9800000             -0.246938D-01     
  4     18.4200000             -0.728167D-01     
  5      7.2400000             -0.134030D+00     
  6      2.9220000             -0.947742D-01     
  7      0.3818000              0.564667D+00     
P   1
  1      1.0220000              1.0000000        
P   1
  1      0.1301000              1.0000000        
P   1
  1      0.0419000              1.0000000        
D   1
  1      1.0460000              1.0000000        
D   1
  1      0.3440000              1.0000000        
F   1
  1      0.7060000              1.0000000        


name: maug-cc-pVTZ
elt: Ar
data:
ARGON
S   13
  1 545000.0000000              0.455828D-04     
  2  81640.0000000              0.354108D-03     
  3  18580.0000000              0.185797D-02     
  4   5261.0000000              0.776851D-02     
  5   1717.0000000              0.274232D-01     
  6    619.9000000              0.823836D-01     
  7    241.6000000              0.201230D+00     
  8     99.7900000              0.356781D+00     
  9     43.1500000              0.349563D+00     
 10     19.1400000              0.118266D+00     
 11      7.4880000              0.560190D-02     
 12      3.2050000              0.483473D-03     
 13      0.5204000              0.292025D-04     
S   13
  1 545000.0000000             -0.129551D-04     
  2  81640.0000000             -0.100428D-03     
  3  18580.0000000             -0.529583D-03     
  4   5261.0000000             -0.221396D-02     
  5   1717.0000000             -0.796845D-02     
  6    619.9000000             -0.245803D-01     
  7    241.6000000             -0.657798D-01     
  8     99.7900000             -0.137942D+00     
  9     43.1500000             -0.201630D+00     
 10     19.1400000             -0.412834D-01     
 11      7.4880000              0.484680D+00     
 12      3.2050000              0.579224D+00     
 13      0.5204000             -0.727553D-02     
S   13
  1 545000.0000000              0.404990D-05     
  2  81640.0000000              0.313691D-04     
  3  18580.0000000              0.165646D-03     
  4   5261.0000000              0.691662D-03     
  5   1717.0000000              0.249790D-02     
  6    619.9000000              0.771074D-02     
  7    241.6000000              0.208714D-01     
  8     99.7900000              0.443965D-01     
  9     43.1500000              0.680224D-01     
 10     19.1400000              0.141350D-01     
 11      7.4880000             -0.207489D+00     
 12      3.2050000             -0.425045D+00     
 13      0.5204000              0.733627D+00     
S   1
  1      1.1960000              1.0000000        
S   1
  1      0.1954000              1.0000000        
S   1
  1      0.0685000              1.0000000        
P   7
  1    761.8000000              0.236976D-02     
  2    180.2000000              0.190199D-01     
  3     57.5000000              0.880807D-01     
  4     21.2400000              0.256377D+00     
  5      8.3880000              0.438711D+00     
  6      3.4160000              0.347569D+00     
  7      0.4523000             -0.523882D-02     
P   7
  1    761.8000000             -0.667211D-03     
  2    180.2000000             -0.532717D-02     
  3     57.5000000             -0.255494D-01     
  4     21.2400000             -0.757197D-01     
  5      8.3880000             -0.141133D+00     
  6      3.4160000             -0.932768D-01     
  7      0.4523000              0.562450D+00     
P   1
  1      1.2060000              1.0000000        
P   1
  1      0.1545000              1.0000000        
P   1
  1      0.0487000              1.0000000        
D   1
  1      0.4100000              1.0000000        
D   1
  1      1.2540000              1.0000000        
F   1
  1      0.8900000              1.0000000        


name: may-cc-pV(Q+d)Z
description: may-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers.
elt: Li
data:
LITHIUM
S   9
  1   6601.0000000              0.0001170        
  2    989.7000000              0.0009110        
  3    225.7000000              0.0047280        
  4     64.2900000              0.0191970        
  5     21.1800000              0.0630470        
  6      7.7240000              0.1632080        
  7      3.0030000              0.3148270        
  8      1.2120000              0.3939360        
  9      0.4930000              0.1969180        
S   9
  1   6601.0000000             -0.0000180        
  2    989.7000000             -0.0001420        
  3    225.7000000             -0.0007410        
  4     64.2900000             -0.0030200        
  5     21.1800000             -0.0101230        
  6      7.7240000             -0.0270940        
  7      3.0030000             -0.0573590        
  8      1.2120000             -0.0938950        
  9      0.4930000             -0.1210910        
S   1
  1      0.0951500              1.0000000        
S   1
  1      0.0479100              1.0000000        
S   1
  1      0.0222000              1.0000000        
S   1
  1      0.0063600              1.0000000        
P   3
  1      6.2500000              0.0033880        
  2      1.3700000              0.0193160        
  3      0.3672000              0.0791040        
P   1
  1      0.1192000              1.0000000        
P   1
  1      0.0447400              1.0000000        
P   1
  1      0.0179500              1.0000000        
P   1
  1      0.0075600              1.0000000        
D   1
  1      0.3440000              1.0000000        
D   1
  1      0.1530000              1.0000000        
D   1
  1      0.0680000              1.0000000        
D   1
  1      0.0266000              1.0000000        
F   1
  1      0.2460000              1.0000000        
F   1
  1      0.1292000              1.0000000        
G   1
  1      0.2380000              1.0000000        


name: may-cc-pV(Q+d)Z
description: may-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers.
elt: Be
data:
BERYLLIUM
S   9
  1  14630.0000000              0.0000920        
  2   2191.0000000              0.0007130        
  3    498.2000000              0.0037350        
  4    140.9000000              0.0154680        
  5     45.8600000              0.0528740        
  6     16.4700000              0.1456940        
  7      6.3190000              0.3026810        
  8      2.5350000              0.4049360        
  9      1.0350000              0.2223870        
S   9
  1  14630.0000000             -0.0000170        
  2   2191.0000000             -0.0001300        
  3    498.2000000             -0.0006790        
  4    140.9000000             -0.0028570        
  5     45.8600000             -0.0098130        
  6     16.4700000             -0.0286090        
  7      6.3190000             -0.0637600        
  8      2.5350000             -0.1172310        
  9      1.0350000             -0.1212020        
S   1
  1      0.2528000              1.0000000        
S   1
  1      0.1052000              1.0000000        
S   1
  1      0.0426100              1.0000000        
S   1
  1      0.0143900              1.0000000        
P   3
  1     14.0300000              0.0040990        
  2      3.1680000              0.0256260        
  3      0.9024000              0.1037680        
P   1
  1      0.3036000              1.0000000        
P   1
  1      0.1130000              1.0000000        
P   1
  1      0.0428600              1.0000000        
P   1
  1      0.0065000              1.0000000        
D   1
  1      1.0720000              1.0000000        
D   1
  1      0.4410000              1.0000000        
D   1
  1      0.1811000              1.0000000        
D   1
  1      0.0554000              1.0000000        
F   1
  1      0.4810000              1.0000000        
F   1
  1      0.2550000              1.0000000        
G   1
  1      0.4150000              1.0000000        


name: may-cc-pV(Q+d)Z
description: may-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers.
elt: B
data:
BORON
S   9
  1  23870.0000000              0.0000880        
  2   3575.0000000              0.0006870        
  3    812.8000000              0.0036000        
  4    229.7000000              0.0149490        
  5     74.6900000              0.0514350        
  6     26.8100000              0.1433020        
  7     10.3200000              0.3009350        
  8      4.1780000              0.4035260        
  9      1.7270000              0.2253400        
S   9
  1  23870.0000000             -0.0000180        
  2   3575.0000000             -0.0001390        
  3    812.8000000             -0.0007250        
  4    229.7000000             -0.0030630        
  5     74.6900000             -0.0105810        
  6     26.8100000             -0.0313650        
  7     10.3200000             -0.0710120        
  8      4.1780000             -0.1321030        
  9      1.7270000             -0.1230720        
S   1
  1      0.4704000              1.0000000        
S   1
  1      0.1896000              1.0000000        
S   1
  1      0.0739400              1.0000000        
S   1
  1      0.0272100              1.0000000        
P   3
  1     22.2600000              0.0050950        
  2      5.0580000              0.0332060        
  3      1.4870000              0.1323140        
P   1
  1      0.5071000              1.0000000        
P   1
  1      0.1812000              1.0000000        
P   1
  1      0.0646300              1.0000000        
P   1
  1      0.0187800              1.0000000        
D   1
  1      1.1100000              1.0000000        
D   1
  1      0.4020000              1.0000000        
D   1
  1      0.1450000              1.0000000        
D   1
  1      0.0466000              1.0000000        
F   1
  1      0.8820000              1.0000000        
F   1
  1      0.3110000              1.0000000        
G   1
  1      0.6730000              1.0000000        


name: may-cc-pV(Q+d)Z
description: may-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers.
elt: C
data:
CARBON
S   9
  1  33980.0000000              0.0000910        
  2   5089.0000000              0.0007040        
  3   1157.0000000              0.0036930        
  4    326.6000000              0.0153600        
  5    106.1000000              0.0529290        
  6     38.1100000              0.1470430        
  7     14.7500000              0.3056310        
  8      6.0350000              0.3993450        
  9      2.5300000              0.2170510        
S   9
  1  33980.0000000             -0.0000190        
  2   5089.0000000             -0.0001510        
  3   1157.0000000             -0.0007850        
  4    326.6000000             -0.0033240        
  5    106.1000000             -0.0115120        
  6     38.1100000             -0.0341600        
  7     14.7500000             -0.0771730        
  8      6.0350000             -0.1414930        
  9      2.5300000             -0.1180190        
S   1
  1      0.7355000              1.0000000        
S   1
  1      0.2905000              1.0000000        
S   1
  1      0.1111000              1.0000000        
S   1
  1      0.0414500              1.0000000        
P   3
  1     34.5100000              0.0053780        
  2      7.9150000              0.0361320        
  3      2.3680000              0.1424930        
P   1
  1      0.8132000              1.0000000        
P   1
  1      0.2890000              1.0000000        
P   1
  1      0.1007000              1.0000000        
P   1
  1      0.0321800              1.0000000        
D   1
  1      1.8480000              1.0000000        
D   1
  1      0.6490000              1.0000000        
D   1
  1      0.2280000              1.0000000        
D   1
  1      0.0766000              1.0000000        
F   1
  1      1.4190000              1.0000000        
F   1
  1      0.4850000              1.0000000        
G   1
  1      1.0110000              1.0000000        


name: may-cc-pV(Q+d)Z
description: may-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers.
elt: N
data:
NITROGEN
S   9
  1  45840.0000000              0.0000920        
  2   6868.0000000              0.0007170        
  3   1563.0000000              0.0037490        
  4    442.4000000              0.0155320        
  5    144.3000000              0.0531460        
  6     52.1800000              0.1467870        
  7     20.3400000              0.3046630        
  8      8.3810000              0.3976840        
  9      3.5290000              0.2176410        
S   9
  1  45840.0000000             -0.0000200        
  2   6868.0000000             -0.0001590        
  3   1563.0000000             -0.0008240        
  4    442.4000000             -0.0034780        
  5    144.3000000             -0.0119660        
  6     52.1800000             -0.0353880        
  7     20.3400000             -0.0800770        
  8      8.3810000             -0.1467220        
  9      3.5290000             -0.1163600        
S   1
  1      1.0540000              1.0000000        
S   1
  1      0.4118000              1.0000000        
S   1
  1      0.1552000              1.0000000        
S   1
  1      0.0546400              1.0000000        
P   3
  1     49.3300000              0.0055330        
  2     11.3700000              0.0379620        
  3      3.4350000              0.1490280        
P   1
  1      1.1820000              1.0000000        
P   1
  1      0.4173000              1.0000000        
P   1
  1      0.1428000              1.0000000        
P   1
  1      0.0440200              1.0000000        
D   1
  1      2.8370000              1.0000000        
D   1
  1      0.9680000              1.0000000        
D   1
  1      0.3350000              1.0000000        
D   1
  1      0.1110000              1.0000000        
F   1
  1      2.0270000              1.0000000        
F   1
  1      0.6850000              1.0000000        
G   1
  1      1.4270000              1.0000000        


name: may-cc-pV(Q+d)Z
description: may-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers.
elt: O
data:
OXYGEN
S   9
  1  61420.0000000              0.0000900        
  2   9199.0000000              0.0006980        
  3   2091.0000000              0.0036640        
  4    590.9000000              0.0152180        
  5    192.3000000              0.0524230        
  6     69.3200000              0.1459210        
  7     26.9700000              0.3052580        
  8     11.1000000              0.3985080        
  9      4.6820000              0.2169800        
S   9
  1  61420.0000000             -0.0000200        
  2   9199.0000000             -0.0001590        
  3   2091.0000000             -0.0008290        
  4    590.9000000             -0.0035080        
  5    192.3000000             -0.0121560        
  6     69.3200000             -0.0362610        
  7     26.9700000             -0.0829920        
  8     11.1000000             -0.1520900        
  9      4.6820000             -0.1153310        
S   1
  1      1.4280000              1.0000000        
S   1
  1      0.5547000              1.0000000        
S   1
  1      0.2067000              1.0000000        
S   1
  1      0.0695900              1.0000000        
P   3
  1     63.4200000              0.0060440        
  2     14.6600000              0.0417990        
  3      4.4590000              0.1611430        
P   1
  1      1.5310000              1.0000000        
P   1
  1      0.5302000              1.0000000        
P   1
  1      0.1750000              1.0000000        
P   1
  1      0.0534800              1.0000000        
D   1
  1      3.7750000              1.0000000        
D   1
  1      1.3000000              1.0000000        
D   1
  1      0.4440000              1.0000000        
D   1
  1      0.1540000              1.0000000        
F   1
  1      2.6660000              1.0000000        
F   1
  1      0.8590000              1.0000000        
G   1
  1      1.8460000              1.0000000        


name: may-cc-pV(Q+d)Z
description: may-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers.
elt: F
data:
FLUORINE
S   9
  1  74530.0000000              0.0000950        
  2  11170.0000000              0.0007380        
  3   2543.0000000              0.0038580        
  4    721.0000000              0.0159260        
  5    235.9000000              0.0542890        
  6     85.6000000              0.1495130        
  7     33.5500000              0.3082520        
  8     13.9300000              0.3948530        
  9      5.9150000              0.2110310        
S   9
  1  74530.0000000             -0.0000220        
  2  11170.0000000             -0.0001720        
  3   2543.0000000             -0.0008910        
  4    721.0000000             -0.0037480        
  5    235.9000000             -0.0128620        
  6     85.6000000             -0.0380610        
  7     33.5500000             -0.0862390        
  8     13.9300000             -0.1558650        
  9      5.9150000             -0.1109140        
S   1
  1      1.8430000              1.0000000        
S   1
  1      0.7124000              1.0000000        
S   1
  1      0.2637000              1.0000000        
S   1
  1      0.0859400              1.0000000        
P   3
  1     80.3900000              0.0063470        
  2     18.6300000              0.0442040        
  3      5.6940000              0.1685140        
P   1
  1      1.9530000              1.0000000        
P   1
  1      0.6702000              1.0000000        
P   1
  1      0.2166000              1.0000000        
P   1
  1      0.0656800              1.0000000        
D   1
  1      5.0140000              1.0000000        
D   1
  1      1.7250000              1.0000000        
D   1
  1      0.5860000              1.0000000        
D   1
  1      0.2070000              1.0000000        
F   1
  1      3.5620000              1.0000000        
F   1
  1      1.1480000              1.0000000        
G   1
  1      2.3760000              1.0000000        


name: may-cc-pV(Q+d)Z
description: may-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers.
elt: Ne
data:
NEON
S   9
  1  99920.0000000              0.0000860        
  2  14960.0000000              0.0006690        
  3   3399.0000000              0.0035180        
  4    958.9000000              0.0146670        
  5    311.2000000              0.0509620        
  6    111.7000000              0.1437440        
  7     43.3200000              0.3045620        
  8     17.8000000              0.4001050        
  9      7.5030000              0.2186440        
S   9
  1  99920.0000000             -0.0000200        
  2  14960.0000000             -0.0001580        
  3   3399.0000000             -0.0008240        
  4    958.9000000             -0.0035000        
  5    311.2000000             -0.0122330        
  6    111.7000000             -0.0370170        
  7     43.3200000             -0.0861130        
  8     17.8000000             -0.1583810        
  9      7.5030000             -0.1142880        
S   1
  1      2.3370000              1.0000000        
S   1
  1      0.9001000              1.0000000        
S   1
  1      0.3301000              1.0000000        
S   1
  1      0.1054000              1.0000000        
P   3
  1     99.6800000              0.0065660        
  2     23.1500000              0.0459790        
  3      7.1080000              0.1734190        
P   1
  1      2.4410000              1.0000000        
P   1
  1      0.8339000              1.0000000        
P   1
  1      0.2662000              1.0000000        
P   1
  1      0.0817800              1.0000000        
D   1
  1      6.4710000              1.0000000        
D   1
  1      2.2130000              1.0000000        
D   1
  1      0.7470000              1.0000000        
D   1
  1      0.2730000              1.0000000        
F   1
  1      4.6570000              1.0000000        
F   1
  1      1.5240000              1.0000000        
G   1
  1      2.9830000              1.0000000        


name: may-cc-pV(Q+d)Z
description: may-cc-pV(Q+d)Z basis set is a partially augmented cc-pV(Q+d)Z basis set of Dunning and coworkers.
elt: Na
data:
SODIUM
S   16
  1 1224000.0000000             0.478894D-05     
  2 183200.0000000              0.372395D-04     
  3  41700.0000000              0.195831D-03     
  4  11810.0000000              0.826698D-03     
  5   3853.0000000              0.300251D-02     
  6   1391.0000000              0.970310D-02     
  7    542.5000000              0.282337D-01     
  8    224.9000000              0.732058D-01     
  9     97.9300000              0.162897D+00     
 10     44.3100000              0.288708D+00     
 11     20.6500000              0.346829D+00     
 12      9.7290000              0.206865D+00     
 13      4.2280000              0.328009D-01     
 14      1.9690000             -0.647736D-03     
 15      0.8890000              0.145878D-02     
 16      0.3964000             -0.178346D-03     
S   16
  1 1224000.0000000            -0.116958D-05     
  2 183200.0000000             -0.909110D-05     
  3  41700.0000000             -0.478499D-04     
  4  11810.0000000             -0.201962D-03     
  5   3853.0000000             -0.735837D-03     
  6   1391.0000000             -0.238746D-02     
  7    542.5000000             -0.704969D-02     
  8    224.9000000             -0.187856D-01     
  9     97.9300000             -0.446153D-01     
 10     44.3100000             -0.897741D-01     
 11     20.6500000             -0.142940D+00     
 12      9.7290000             -0.124315D+00     
 13      4.2280000              0.999648D-01     
 14      1.9690000              0.417080D+00     
 15      0.8890000              0.475123D+00     
 16      0.3964000              0.163268D+00     
S   16
  1 1224000.0000000             0.175871D-06     
  2 183200.0000000              0.136594D-05     
  3  41700.0000000              0.719795D-05     
  4  11810.0000000              0.303349D-04     
  5   3853.0000000              0.110752D-03     
  6   1391.0000000              0.358596D-03     
  7    542.5000000              0.106272D-02     
  8    224.9000000              0.282687D-02     
  9     97.9300000              0.676742D-02     
 10     44.3100000              0.136480D-01     
 11     20.6500000              0.222814D-01     
 12      9.7290000              0.196011D-01     
 13      4.2280000             -0.167708D-01     
 14      1.9690000             -0.773734D-01     
 15      0.8890000             -0.113501D+00     
 16      0.3964000             -0.139130D+00     
S   1
  1      0.0699300              1.0000000        
S   1
  1      0.0328900              1.0000000        
S   1
  1      0.0161200              1.0000000        
S   1
  1      0.0050300              1.0000000        
P   9
  1    413.4000000              0.908196D-03     
  2     97.9800000              0.741773D-02     
  3     31.3700000              0.357464D-01     
  4     11.6200000              0.118520D+00     
  5      4.6710000              0.261403D+00     
  6      1.9180000              0.378395D+00     
  7      0.7775000              0.334632D+00     
  8      0.3013000              0.126844D+00     
  9      0.2275000             -0.147117D-01     
P   9
  1    413.4000000             -0.901741D-04     
  2     97.9800000             -0.739342D-03     
  3     31.3700000             -0.357309D-02     
  4     11.6200000             -0.120142D-01     
  5      4.6710000             -0.267178D-01     
  6      1.9180000             -0.392753D-01     
  7      0.7775000             -0.376083D-01     
  8      0.3013000             -0.433228D-01     
  9      0.2275000              0.518003D-01     
P   1
  1      0.0752700              1.0000000        
P   1
  1      0.0312600              1.0000000        
P   1
  1      0.0134200              1.0000000        
P   1
  1      0.0077200              1.0000000        
D   1
  1      0.1538000              1.0000000        
D   1
  1      0.0865000              1.0000000        
D   1
  1      0.0487000              1.0000000        
D   1
  1      0.0210000              1.0000000        
F   1
  1      0.1912000              1.0000000        
F   1
  1      0.1036000              1.0000000        
G   1
  1      0.1722000              1.0000000        


