# Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments
# Jun-Bo Lu, David C. Cantu, Cong-Qiao Xu, Manh-Thuong Nguyen, Han-Shi Hu,
# Vassiliki-Alexandra Glezakou,* Roger Rousseau,* and Jun Li*
# J. Chem. Theory Comput. XXXX, XXX, XXX?XXX
# https://doi.org/10.1021/acs.jctc.1c00026

# Supporting Information
# Norm-conserving Pseudopotentials and Basis sets To Explore Actinide Chemistry in Complex Environments
# Jun-Bo Lua, c, David C. Cantub, Cong-Qiao Xuc, Manh-Thuong Nguyend, Han-Shi Hua,
# Vassiliki-Alexandra Glezakoud*, Rousseau Rogerd*, Jun Lia, c*
#a Department of Chemistry and Key Laboratory of Organic Optoelectronics & Molecular Engineering
#  of the Ministry of Education, Tsinghua University, Beijing 100084, China
#b Chemical and Materials Engineering, University of Nevada, Reno, Reno, Nevada 89557, United States
#c Department of Chemistry, Southern University of Science and Technology, Shenzhen 518055, China
#d Basic and Applied Molecular Foundations, Pacific Northwest National Laboratory, P.O. Box 999,
#  Richland, Washington 99352, USA
#* Corresponding author: vanda.glezakou@pnnl.gov, Roger.Rousseau@pnnl.gov, junli@tsinghua.edu.cn

# AnBS-L MOLOPT basis sets for actinides:

Ac DZVP-MOLOPT-GTH-q11
  1
  7  0  3  7  3  2  2  1
        2.86701219            0.119880112298402    -0.100721629332933    -0.0701974679823150    0.0689915148808992    0.0158157285137559    0.000229829973455238  0.0270133604303179    0.407564421792033
        1.38180271           -0.423103736287135     0.528836920609574     0.220936414870438    -0.465056863832273    -0.0833245545325917    0.0176866522367583   -0.242405173743125     0.219569532105340
        0.66598207            0.133267975097935    -0.564651072409035     0.0449845581744557    0.554641897523246     0.0739419036043130   -0.0697582658314334    0.171509333942653     0.633562054397296
        0.32098079            0.125811253223722    -0.403070330454703    -0.155975107611308     0.613339679948380    -0.0411186754678386    0.151472810084549     0.835700399687788     0.508795221699645
        0.15470186            0.115393149351883     0.0528757841055208   -0.326929094094968     0.282362464867753     0.226727706349818    -0.559044156955299     0.407879395365731     0.348034296710308
        0.07456105            0.659667460125355     0.468368400784605    -0.444960926239916    -0.0802082560102816    0.564124149972762    -0.677545392534233    -0.0332150637897034    0.0648702301778186
        0.03593590            0.569689762524463     0.0820081247247125    0.784241488929602    -0.0948006376094462    0.784861275228639    -0.447525164983927    -0.212674772379280     0.00842554531725697

Th DZVP-MOLOPT-GTH-q12
  1
  7  0  4  7  3  2  2  2  1
        3.12381624           0.0607459158751584   0.00176098579436001 -0.143931634688977    0.0655755096242631   0.0163678683219262   0.0317543573565943  -0.0116833682264341  -0.126609378119301   -0.472890057942846    0.0124040649886054
        1.45795293          -0.325055696666101   -0.131563107775794    0.597731791844254   -0.455387514058317   -0.0358917440208794  -0.287997214940304    0.0537027846111111  -0.188518917277346   -0.499440092781518   -0.00439104809863491
        0.68045832           0.314528204022674    0.416997442845968   -0.349887200887846    0.602070718619697   -0.129386639361449    0.323563055763316   -0.0569953862801800  -0.0888294690003116  -0.678076755147094   -0.198510831495629
        0.31758469           0.352195200880117    0.0746871802054702  -0.263770364659353    0.616359234263589    0.0358119377542955   0.823945631242824   -0.0791736345109112   0.675512090149248   -0.211600126203804   -0.752708338289304
        0.14822367           0.106653452695684   -0.471283270240494   -0.194820680719085    0.206088362867265    0.435898615016454    0.301022564911004    0.676226291116057    0.553135564780301   -0.146941662985195   -0.316592203359514
        0.06917921          -0.480500080213112   -0.485479467256898   -0.584932439058552   -0.0570522376408263   0.807714151504419   -0.0531052953829152   0.635243815269760    0.421988430497139    0.0240605829394704  -0.540254861451910
        0.03228744          -0.652245345758765    0.587728484453213   -0.223390857104585   -0.0143818485228427   0.371497947710350   -0.197572907285290    0.355873390039133    0.0137926140334769  -0.0141818041405259   0.0417675300510816

Pa DZVP-MOLOPT-GTH-q13
  1
  7  0  4  7  3  2  2  2  1
        3.42213883           0.0649999047477090  -0.00685131589533787 -0.138879464282128    0.0585439293004290   0.00820016671547773  0.0282634792119517  -0.0138929824728465  -0.123323111972252   -0.398010020133836    0.0114170597205959
        1.56077540          -0.333922780304833   -0.103805946945966    0.577557656912483   -0.436147105543156    0.0127127711721552  -0.261880518213407    0.0616024012825526  -0.253168224270513   -0.606866488923713   -0.00406946738434494
        0.71184133           0.304969609869488    0.411606073432881   -0.315529448057309    0.600783869513946   -0.212903259930615    0.329711181320743   -0.0827239261088695  -0.0681627886675625  -0.627674819002019   -0.216637101879506
        0.32465791           0.379720670924877    0.103338617052796   -0.325953507401726    0.634407493963233    0.0807455597965563   0.833230806252666   -0.0937216024153859   0.700365622321832   -0.260304498716581   -0.826174949580921
        0.14807058           0.130366142298203   -0.633698205548931   -0.181904961059761    0.206975849260101    0.417715575267299    0.313713809790067    0.690594727015549    0.572543704289009   -0.107087507658505   -0.329427031128071
        0.06753230          -0.509148289504290   -0.382614830032653   -0.594177610633292   -0.00771089249621649  0.831883344181080   -0.0792759854750021   0.649491017585802    0.312555403691188   -0.00619764468570030 -0.399068206687856
        0.03080026          -0.608973748647537    0.510990637400612   -0.234943988915643    0.00597698615567346  0.285319643649423   -0.151445349947413    0.285701738842692   -0.00647424794601863 -0.00779954723046119  0.0507819508274169

U  DZVP-MOLOPT-GTH-q14
  1
  7  0  4  7  3  2  2  2  1
        3.36010849           0.0613006353031370   0.00375189839477806 -0.140923593983843    0.0620470979528372   0.0114426864738372   0.0325212153458330  -0.0167976795166739  -0.109296149862864   -0.424202951223183    0.0140948548204714
        1.56759792          -0.330872953833118   -0.154090219629165    0.587833526033396   -0.450726706428163    0.0189680956510364  -0.293160651526229    0.0677304670510084  -0.223988126277659   -0.608123057574745   -0.00436222820043446
        0.73133449           0.331259943657412    0.462750972958819   -0.313597190336551    0.605811603201328   -0.270222371693577    0.366847995783915   -0.107371305194176   -0.0555424081352087  -0.624127930432511   -0.240139372855347
        0.34119090           0.345931060732508    0.0490073074883817  -0.271611019989256    0.609050845835446    0.139546920515645    0.813343999589294   -0.0292525016768541   0.750947483482518   -0.224460570135283   -0.848780878108104
        0.15917645           0.0885614117937268  -0.448482143794269   -0.218872226892249    0.234342104211661    0.365437254239881    0.262167616509569    0.725601133153905    0.509225379516164   -0.101201728393837   -0.330309215256308
        0.07426090          -0.438479409394019   -0.475161541134324   -0.600530558709066   -0.00406778375200382  0.788649070200098   -0.0528555833673306   0.572377697587655    0.333454352695176    0.00865484613560270 -0.334214415412639
        0.03464508          -0.676207479521132    0.576877131489909   -0.232238107801119    0.0105921523220597   0.389235224986987   -0.212996989253725    0.358654266156806    0.0193467409879212  -0.00181266006982592  0.0297145661678464

Np DZVP-MOLOPT-GTH-q15
  1
  7  0  4  7  3  2  2  2  1
        3.37674781            0.0398009687957743    0.0228862132302780   -0.149767707534398     0.0633271112232308    0.0106561211758484    0.0263408088192791   -0.00696618219937208  -0.137603629073179    -0.421231655568284     0.0141567553129976
        1.61435413           -0.267131360802493    -0.217072472520039     0.609685925329375    -0.462302634691549     0.0365439093302671   -0.266161472334484     0.00784660160803580  -0.274107335494964    -0.606321496879017    -0.00864546727619816
        0.77178972            0.337947996570384     0.469910335989461    -0.292979791801871     0.591462859707273    -0.284408192133366     0.311701380140887    -0.00164064429195593  -0.0623296501499003   -0.593306903388255    -0.195796715634656
        0.36897689            0.327204702208650     0.000528422798244031 -0.305820096582087     0.580387538160096     0.0625273370564397    0.816065214581021    -0.0648126281901657    0.604487745905645    -0.291046707512928    -0.812835151824828
        0.17640031           -0.0468425261127684   -0.176122018051332    -0.227789423556870     0.306927126388656     0.384492312054641     0.265833464583063     0.713697132370506     0.567635726900883    -0.133156922242172    -0.361372631071713
        0.08433339           -0.371730152500917    -0.590839451574081    -0.582787311906258     0.0171663270135497    0.667569220837315     0.0390810302771182    0.484797733057297     0.440516003200834    -0.0220393383210571   -0.412330420138995
        0.04031807           -0.751935785086970     0.592814926464236    -0.186977388884635     0.0329999754605527    0.565924287782336    -0.305203685732707     0.501292425566937     0.142742152588206     0.000607315961998277 -0.00899724510517264

Pu DZVP-MOLOPT-GTH-q16
  1
  7  0  4  7  3  2  2  2  1
        3.41889751           0.0197509017302511   0.0167324139138585  -0.170418910692889    0.0641044423079170  -0.0433863515716193   0.00887073889296389  0.00872882883854965 -0.0709165702573905  -0.428884576985426    0.0182101099355266
        1.69365068          -0.207145855111608   -0.150310230092959    0.668028849645920   -0.490165119700355    0.189058282852452   -0.199778214826981   -0.0767229191015733  -0.208559612533125   -0.638549258815830   -0.0235390444889296
        0.83899930           0.349062693724312    0.318424832206725   -0.297816733084768    0.617165062523020   -0.104379950836527    0.213010704732021    0.159430058921972    0.0101889733757331  -0.587455098705386   -0.116691902680363
        0.41562279           0.327656741344374   -0.0269853028160707  -0.396917721546846    0.311741650004901   -0.525845606026779    0.798745872399330   -0.146831532812409    0.558307726860003   -0.243754485009739   -0.826579690929597
        0.20589088          -0.126948266311787    0.0560234756613033  -0.138536419555557    0.469139035556136    0.300513544307184    0.319460844163194    0.710283132312713    0.651698976686068   -0.0530121173817917  -0.439899601455233
        0.10199406          -0.439615645720496   -0.708223405962111   -0.461107410513338    0.0554518006756177   0.229918086444341    0.194166257484678    0.306361057064691    0.416169702043833    0.0191162872863999  -0.317373160363302
        0.05052573          -0.719804844392297    0.608510688601535   -0.215972181454427    0.233209923197956    0.729242825046353   -0.369980647287897    0.590508876463328    0.204337020434392    0.0248476297370913  -0.0895875961994157

Am DZVP-MOLOPT-GTH-q17
  1
  7  0  4  7  3  2  2  2  1
        3.37739604           0.0257023396464917   0.0256489928381786  -0.176310427131242    0.0704268525388081  -0.0309820857927170   0.0126833437831407   0.0159977546601070  -0.0708545526786687  -0.454767925848602    0.0209308037425771
        1.72947189          -0.254757624082151   -0.166240990595893    0.663688443183095   -0.502379417120679    0.180551795849461   -0.178294240616561   -0.120650355911750   -0.222483332277667   -0.623126297764728   -0.0323239081139901
        0.88561512           0.394134674200138    0.290915301695511   -0.262161830627980    0.599273071132139   -0.124179561225550    0.0847052283959131   0.181291446377064    0.0104565383430027  -0.568992881940454   -0.0686092723184545
        0.45349922           0.344043956378715   -0.0839750667737667  -0.361452605243819    0.295884270512333   -0.484951190406908    0.767265186414057   -0.0631791587679078   0.449642115106602   -0.273761697588355   -0.764959487981331
        0.23222451          -0.0822354353157649   0.226001009744581   -0.123085472522396    0.499870666022359    0.278566809307590    0.288390606815436    0.709968480949362    0.711276382134248   -0.0706788813741835  -0.557917289011734
        0.11891580          -0.416290699681145   -0.701626865717596   -0.491379507379147   -0.0147707641106939  -0.0566246495090499   0.342942879360966    0.202748217285296    0.361917572180221   -0.00722475041126630 -0.241511188022265
        0.06089352          -0.693302923633353    0.580229112083811   -0.269168383314251    0.214220461562738    0.796892163779006   -0.414005427439153    0.634954553710882    0.326029151329852    0.0339659034505511  -0.197604303090981

Cm DZVP-MOLOPT-GTH-q18
  1
  7  0  4  7  3  2  2  2  1
        3.34796688           0.0196900658567736   0.0105783072167585  -0.162968555379922    0.0571343584921700  -0.00494799118024581  0.0121384702070161   0.00881070749292147 -0.0719560545635864  -0.465188830345515    0.0270285281509546
        1.71682663          -0.247829960196463   -0.128542093533515    0.663622015900530   -0.482555615104435    0.130622997162296   -0.222864995590261   -0.0889930551345897  -0.231558833753399   -0.640258990849397   -0.0543344793507557
        0.88038316           0.453241461821524    0.301462956605674   -0.370030683890232    0.642431378065550   -0.194850702526873    0.220234152819462    0.158045498973604    0.0147594329086089  -0.534605911124573   -0.0192000070249590
        0.45145765           0.189890632882665   -0.158730002192092   -0.290958062638859    0.303145162071108   -0.344473692781282    0.804813039892554   -0.115570371947328    0.380242056244932   -0.282399106284708   -0.784880937586235
        0.23150603          -0.0183149026034192   0.240650976962209   -0.110913258630786    0.468793236490366    0.261237511184282    0.271103026722817    0.694723510650212    0.776486027455088   -0.0858359847012929  -0.422270514609252
        0.11871554          -0.385839690018162   -0.710544495301259   -0.469698498695289   -0.0237876665627342   0.0458249381583994   0.240866821710135    0.284363330119934    0.285867423180802   -0.0204915004105874  -0.300957000268989
        0.06087695          -0.739931506907363    0.551818384334309   -0.280266548339181    0.197301107297798    0.869447678986523   -0.349918652165574    0.624631457089997    0.334290646079479    0.0180920827941373  -0.333201130016690

Bk DZVP-MOLOPT-GTH-q19
  1
  7  0  4  7  3  2  2  2  1
        3.35233138           0.0278725704835813   0.0210323973246989  -0.150384736273349    0.0582154727682598  -0.0207038902401968  -0.00346908966381498  0.00755946063899116 -0.0740246233213196  -0.465783060509727    0.0271069924819708
        1.71850765          -0.247919123009031   -0.157937592195063    0.652513069932929   -0.490295704246833    0.156906944097235   -0.211603234694988   -0.0888271786134091  -0.257921264891623   -0.652512096366283   -0.0526318571732499
        0.88095961           0.380295251746282    0.295994526829370   -0.427315842480368    0.641651388853108   -0.160716412828012    0.365412419818240    0.177004732734681    0.0826901488437242  -0.521460023379276   -0.0260106525859123
        0.45160686           0.302975548538450   -0.108416127361883   -0.195503640716631    0.298844151648368   -0.394951824848516    0.754258042021201   -0.134522503635632    0.391961779849717   -0.283811490114498   -0.828342060351698
        0.23150750          -0.0641814871595390   0.222926163280039   -0.124210296612816    0.459532016402512    0.267898252434012    0.269324280195466    0.704124739633358    0.766457080436631   -0.0647354261864829  -0.386082938726239
        0.11867783          -0.420810331394201   -0.713738436729245   -0.513756908353962   -0.0117252735984512   0.0807418603673179   0.193531305608072    0.289569153347380    0.323754760925050   -0.0137480211955714  -0.283390022314101
        0.06083789          -0.721207299218485    0.562252530727827   -0.226751545151232    0.209498432442817    0.845485735448410   -0.377876529860316    0.602481256111335    0.274320391708323    0.0206131813120647  -0.283369079560139

Cf DZVP-MOLOPT-GTH-q20
  1
  7  0  4  7  3  2  2  2  1
        3.30552435            0.0238614951119594    0.0280764205401829   -0.152231392687016     0.0596671663267193   -0.0149192071674110    0.000544772010658729  0.0115089983296586   -0.0406762281361256   -0.497361333723356     0.0242336332742326
        1.74155552           -0.243698112896922    -0.171353793016167     0.657553182861034    -0.507981671982491     0.121269265998367    -0.173911757959319    -0.127144352216767    -0.228346946014155    -0.632338077651136    -0.0453713872068880
        0.91755961            0.379968271082402     0.280918513911373    -0.441780150229469     0.649210055398474    -0.0947932733602471    0.156583260285370     0.217295064208673     0.129018093590963    -0.524390265077515    -0.0405968548918250
        0.48342739            0.318319759964892    -0.153463256268459    -0.138545986633812     0.289489235578894    -0.388515868310464     0.761821642584865    -0.0639042822633477    0.285657705217460    -0.269710108459189    -0.681687678904160
        0.25469957           -0.0512561170916205    0.335705286950380    -0.105379647365211     0.469182509307811     0.297239741903935     0.259787303142114     0.713047857034992     0.766736909863848    -0.0511357852798061   -0.566803043349667
        0.13419155           -0.423910720552402    -0.691516569461832    -0.525793765418570    -0.0334958961198915   -0.147913388867292     0.365823694842339     0.168521495208416     0.294628052347470    -0.00404959078661080  -0.161839770172606
        0.07070044           -0.715549448794057     0.525823358381151    -0.206205648343908     0.108915263157287     0.845524099600363    -0.404410005529914     0.628938958617057     0.416252261866586     0.0491965327491095   -0.428427556168412

Es DZVP-MOLOPT-GTH-q21
  1
  7  0  4  7  3  2  2  2  1
        3.25808087           0.0264577883441659   0.0348064715928234  -0.144477457637011    0.0525907775293042  -0.0216320477805168  -0.00565130677774103  0.0104149433346203   0.0210911844908044  -0.516330435393605    0.0185639082504539
        1.75825958          -0.252051914701180   -0.195520162801577    0.638893862085549   -0.496636328687714    0.150527021541463   -0.153078391862020   -0.155819592497149   -0.157381051019602   -0.622813935034334   -0.0309885605224014
        0.94886434           0.359633147104927    0.285570757116467   -0.473429748224910    0.674925446291085   -0.0849719284029481   0.135559851532468    0.267203335789002    0.173212504945847   -0.505150248295940   -0.0452210525311536
        0.51206520           0.322519589339470   -0.184863816417383   -0.0746862274144825   0.193269026041043   -0.419861361497155    0.721442386091758   -0.00674275335828883  0.138293078564817   -0.282905534215722   -0.385202009441554
        0.27634168           0.0282690653114797   0.417466059370015   -0.0326562197255950   0.493907821856499    0.230090363978374    0.195430276888378    0.709973435140825    0.766331701493518   -0.0148440380487570  -0.726217794430521
        0.14913086          -0.383721574814363   -0.661832957267834   -0.547269688391656   -0.0516505521483805  -0.328752772930586    0.475086432327422    0.134243882149774    0.188616269005127   -0.0182428239789715   0.00990176339396669
        0.08048013          -0.744562653304280    0.482218118159215   -0.201634812558201    0.105340289728644    0.795204324368691   -0.416868525524656    0.618130243289739    0.550289419869967    0.0986925685026281  -0.566373753709986

Fm DZVP-MOLOPT-GTH-q22
  1
  7  0  4  7  3  2  2  2  1
        3.28806918           0.0293114532647667   0.0258933309761249  -0.133047609795150    0.0358198662834713  -0.0103988232639360  -0.00289755439841127  0.00999466238700234  0.0141512864259876  -0.497641387999810    0.0155689416801955
        1.77002336          -0.262478543068842   -0.151572092522669    0.625699247936882   -0.463059731380059    0.116517174759476   -0.160773103553683   -0.142598012067244   -0.149559418661159   -0.647409370882966   -0.0251946247767939
        0.95283357           0.370972136581869    0.249903818347698   -0.520421607748302    0.695486740009113   -0.110849074739051    0.124293847737043    0.235151361922530    0.143165493901084   -0.485705161400654   -0.0505764215444066
        0.51292646           0.310200017051237   -0.197912167005924   -0.00695908705962794  0.213841732468438   -0.337689799159451    0.747991282423609   -0.0168631727407355   0.160121878984356   -0.297084551946082   -0.323417887844561
        0.27611701           0.0437973140344181   0.414106970583484   -0.0482928277829358   0.497096889519846    0.255468208790646    0.194432439953677    0.708634582920890    0.741294113305882   -0.0244560705201665  -0.743877003785736
        0.14863846          -0.391376723692382   -0.683483753910157   -0.518414317561504   -0.0450548937375824  -0.278688658248549    0.467152948872542    0.135037799117308    0.244195927216765   -0.0215450409420573  -0.0437693693943199
        0.08001460          -0.735736047691323    0.485900881827323   -0.220966296269260    0.0756787239588755   0.846795323968468   -0.378375267213093    0.635285136586262    0.567580596318790    0.0893483768840988  -0.580255960662896

Md DZVP-MOLOPT-GTH-q23
  1
  7  0  4  7  3  2  2  2  1
        3.31525376            0.0399785257112254    0.0252964952944169   -0.126413408318191     0.0856545008423547   -0.00266719620630787  -0.00532566587024837   0.00913136828055691   0.0743852230975092   -0.493457367915072     0.0123530375131761
        1.78620142           -0.281574514776322    -0.142138529048807     0.621492398340057    -0.506962420049722     0.105882647283462    -0.151204018704753    -0.126052567797880    -0.0471144074394628   -0.629540651407873    -0.0142072794872672
        0.96237445            0.338443981132353     0.234257941997254    -0.538647473597335     0.581725425832495    -0.143894036738706     0.124521345680140     0.222044543265872     0.154334908973804    -0.503223578398180    -0.0778889002718678
        0.51851072            0.367034843183117    -0.192027405670875    -0.000110858306966737  0.351968928975019    -0.349131237662807     0.704532822281383    -0.0590998987103772    0.209941841549206    -0.267995736941031    -0.293830847214406
        0.27936461            0.0341089395994011    0.417337753383828    -0.0524234151452596    0.491382878425442     0.210090003280202     0.276026326748853     0.664318614735527     0.660960596604787     0.0250320121288308   -0.705526169579776
        0.15051682           -0.399369102025343    -0.695519505468070    -0.502331540330814    -0.0315219629975917   -0.317018633344897     0.521862010981804     0.0931224320440987    0.292675708474562     0.0272154532352219   -0.152426411045531
        0.08109586           -0.713582165011247     0.479048259658854    -0.229217244189711     0.175826749267746     0.837582839354757    -0.341623224099841     0.693714481475788     0.633896087415040     0.183726500197515    -0.621483162577507

No DZVP-MOLOPT-GTH-q24
  1
  7  0  4  7  3  2  2  2  1
        3.29670349           0.0378662306079655   0.0203262350547931  -0.112724619905267    0.0527100910858133  -0.00497410565153800 -0.00921778398492578  0.00713660433779657  0.114956405838104   -0.486379958543511    0.0122375667496522
        1.77484398          -0.285797265953882   -0.122178203376872    0.593469088498161   -0.452958365769257    0.160674251652008   -0.130937994038255   -0.122217726434069    0.0367967893222659  -0.622548940284195   -0.0184218636417902
        0.95552152           0.369716401050844    0.222642170094911   -0.567138624538999    0.610701210625730   -0.221257219688654    0.0815089124385097   0.211967054192173    0.166769422343255   -0.486350387468149   -0.0446207163212809
        0.51442346           0.340805284721277   -0.191103628221929    0.0841827040639445   0.279286977038198   -0.381828137786074    0.742521876594262   -0.0386230523301087   0.123946814694204   -0.288992411170323   -0.262513671528701
        0.27694980           0.0239549710652626   0.402549539267944   -0.0769533187147190   0.511007134524504    0.133623769765588    0.211251665914880    0.674366850090024    0.654180066250766    0.0561991325876925  -0.655698507468266
        0.14910127          -0.399319837033914   -0.707380849363008   -0.501981999295561   -0.0891641298220587  -0.312504218007815    0.543735454106473    0.0978452138510662   0.195894103138640    0.00356433828685290 -0.153155064251648
        0.08027155          -0.709941856186380    0.485937650891115   -0.220106594810085    0.268355449716665    0.814798969648623   -0.290710033785365    0.688655058513120    0.689876879759328    0.229440608355955   -0.689354360567531

Lr DZVP-MOLOPT-GTH-q25
  1
  7  0  4  7  3  2  2  2  1
        6.56153954            0.0480367881189553    0.0239139619469610   -0.0322881904291615    0.0344256657050377   -0.00798128666536551   0.0112489840393063    0.0104062996759140    0.000923186994720814  0.0140157353304366   -0.00367690745853911
        3.22199744           -0.157224542182379    -0.0917669702060536    0.0569306722323582   -0.117795452464362     0.0398520029412896   -0.0637154521227482   -0.0520801396016083    0.262303253033679    -0.534492265350429     0.0215569206572492
        1.58213898           -0.252749460061152     0.0171105434283490    0.296263281857035    -0.176776852839322     0.0447376736024046   -0.0954960762549027    0.0222953132195130    0.288576065736383    -0.604973935018029    -0.0553565244801403
        0.77689812            0.862703488172357     0.125454664652699    -0.300511159388055     0.802601970823981    -0.343952571960166     0.535963014257658     0.114905454103421     0.164711801642245    -0.379774894070142    -0.0480688365557133
        0.38149031            0.0203591950049537    0.349995842558628     0.107148842702000     0.417930169418832     0.00613900950283851   0.594990866957155     0.362767244481900     0.474290943699750     0.0749498390449716   -0.592520436249571
        0.18732811           -0.121122907252760    -0.735959986472970    -0.543143978594591     0.120421499936542    -0.235055899365614     0.319663271955931     0.406499018741645     0.443899959276402     0.215891494170643    -0.523858595662359
        0.09198614           -0.386972940622711     0.557531264169147    -0.714948408102703     0.346918090464807     0.907058059036526    -0.493192872096346     0.828635925907724     0.631498974453964     0.389451575421681    -0.607156096939046

# AnBS-M MOLOPT basis sets for actinides:

Ac DZVP-MOLOPT-GTH-q21
  1
  7  0  3  7  3  2  3  1
       14.69972587          -0.172753083715818    0.0196190657028661   0.111761277469401    0.319364531106790    0.0520841523604323   0.913262365509884   -0.331864959092201    0.0270421909938725   0.0594908924851224
       11.10132097           0.272916699128436   -0.0502457010061352  -0.176100581686071    0.834065898880837   -0.168967479916600    0.0635584970891555  -0.0701562995375392  -0.390680029295846   -0.0347576163725162
        3.46104021          -0.264123575702283    0.320862299515074    0.163637105448548    0.188916597174469    0.138062725230675   -0.120414584146351    0.131557031467147    0.553180880217934    0.215068016996632
        1.51778455          -0.00830115783873750 -0.811596762267246    0.0583094249104499  -0.365589465276813   -0.379579559641168    0.130222556861969    0.0434300440775673   0.703347492358052    0.419046376411472
        0.59586359           0.355426659342403    0.437722581848620   -0.367152980994554    0.102236341755614    0.592034178857854    0.0157953250740756  -0.262104018379082    0.199706307354159    0.608696919266179
        0.22838947           0.481215285345272   -0.202331190385842   -0.522068323555151   -0.150105158283076    0.674040584629566   -0.330182400147557   -0.801068236685737    0.0689143596796944   0.609466352726354
        0.05284523           0.684066088853307    0.0539404556469240   0.720391743957685    0.00337737574409179  0.0275698194474411  -0.145549555612013   -0.394133841515348    0.0360451828057864   0.177306090327642

Th DZVP-MOLOPT-GTH-q22
  1
  7  0  4  7  3  2  3  2  1
       15.65083738           0.0743175167600339   0.0514091294353502  -0.0574046523949939   0.0124487754131310   0.0424142005772883   0.156929260554165   -0.0410333154160107  -0.0618324030369884  -0.0436101971974184  -0.0451182391893735   0.00191703425235602
       10.44981858          -0.129503338844791   -0.0884880858418599   0.103446710006165   -0.0202164843284761  -0.0822531587836197  -0.287181383806743    0.0811005323658966   0.109682000174669    0.0281907215745866   0.0279173393367984  -0.00527163575565700
        3.69370707          -0.0216069715092787  -0.0327980548646716  -0.0339839582182695  -0.0217510574782545   0.139670969681699    0.463278939986790   -0.152415322160740   -0.170824729283408   -0.191557176555676   -0.187426040422515    0.00985852421499105
        1.61813847           0.456864064266901    0.473771576805137   -0.105220447619207    0.113427476139605   -0.403282789509051    0.705500047553362   -0.208135561682218   -0.182607044193556   -0.371669422084798   -0.417203755257800    0.0343332759075644
        0.62264623          -0.219585851118137   -0.682037309820982   -0.458126272399531    0.0741454138041532   0.665878291164933    0.105323350710310    0.300274105222369   -0.468353884709896   -0.570114556179658   -0.466682009838217    0.250274666554480
        0.23841861          -0.273403619132524   -0.148266081784136    0.839978258786620   -0.208902961486350    0.591866772336879    0.102832772207069    0.855947566570042   -0.225573335553527    0.282718557094832   -0.610450853660187    0.735263319481970
        0.06095865          -0.803459191576249    0.526150185486947   -0.241524481910325   -0.967966647773223   -0.124861084939511    0.398590992621570    0.319964612458210    0.807082090628273    0.646150704573603   -0.444471742168210    0.628842597799553

Pa DZVP-MOLOPT-GTH-q23
  1
  7  0  4  7  3  2  3  2  1
       18.2985785             0.0177682595363701    0.0497250560199387    0.0535170962100834    0.0101732735671268    0.0215049677799955    0.0873268136796697   -0.0204144735606303   -0.0345546145406186   -0.0355281659117862   -0.0321476717271464    0.000708374472357367
        9.1686871            -0.0275483546222680   -0.148820486353026    -0.221959974122910    -0.0246028992645369   -0.0688959366122752   -0.255379935093931     0.0693759383089824    0.0963024572217213    0.0226638057550551    0.0184824918937795   -0.00466926144596042
        4.0074891            -0.139439848137972     0.109455712592552     0.537370977316773    -0.0176684685629859    0.140013728848555     0.491161037752030    -0.152574061731026    -0.180362583781508    -0.219843126075983    -0.188303521845046     0.00863408805363246
        1.6986792             0.528361335720601     0.392999432608169    -0.562000356310638     0.120118510529702    -0.395922526409919     0.716264682175079    -0.199749046778770    -0.191390155742950    -0.460412171850064    -0.440535295774201     0.0434505437630948
        0.6552132            -0.290416372671893    -0.655635179202321    -0.260903438621900     0.112516542354679     0.660748243647159     0.100343747667431     0.322807628144112    -0.458005172942265    -0.524769320167153    -0.439499690251363     0.228826554375246
        0.2496921             0.0643320012949484   -0.406656863225845    -0.342138393275371    -0.205543907578579     0.609341726811313     0.107557571992331     0.862512895986316    -0.188569970288379     0.350192052402470    -0.610937108830468     0.759407736998979
        0.0629137            -0.782199417585402     0.462302370726815    -0.397653666030059    -0.964179599583681    -0.102697680489924     0.388900189557845     0.288891747753604     0.821610363777698     0.583006363867958    -0.450212430810873     0.607415422896202

U  DZVP-MOLOPT-GTH-q24
  1
  7  0  4  7  3  2  3  2  1
       19.08978636            0.0175347549178284    0.0444420080735720    0.0480239929694140    0.00868435139342888   0.0167268952122398    0.0780605144894831   -0.0209275629451207   -0.0310890038296303   -0.0355423417599900   -0.0304446500872110    0.000681178918943916
        8.83283639           -0.0335654827919500   -0.152640996761123    -0.223452755146060    -0.0225772179201467   -0.0630087936688894   -0.272621285211113     0.0849666578187524    0.102601811433983     0.0310554252071395    0.0246593491025110   -0.00561419755291983
        4.24063536           -0.133681693664181     0.116730324474419     0.531789324103624    -0.0212665784912729    0.131473914605043     0.497951052758647    -0.173180621064370    -0.183991485698682    -0.235834496156873    -0.190774629067401     0.00962535858579351
        1.77880400            0.539200044116460     0.394574804002898    -0.566696275595357     0.116590270695355    -0.397332134906918     0.700290823432483    -0.216873357735680    -0.171024251134266    -0.490617050979162    -0.438260236478327     0.0438658402084721
        0.70559429           -0.256900676457443    -0.660083007937177    -0.252785775845133     0.157302803266213     0.644634595782697     0.0965344757318968    0.270356898911526    -0.462241968352600    -0.517787587133563    -0.414714908360579     0.220962483519958
        0.26534434            0.0141145313785845   -0.391991974420588    -0.356973248917147    -0.267283433732275     0.625000948949216     0.142995102593376     0.871245382414339    -0.216352583847370     0.402599005012498    -0.657792168469953     0.800547808982269
        0.05869981           -0.789785559742940     0.464804371798274    -0.390496426873002    -0.942965899079704    -0.120049735436382     0.389172453071599     0.288367394469512     0.815431237445428     0.520825650282043    -0.406594458511349     0.555202615021217

Np DZVP-MOLOPT-GTH-q25
  1
  7  0  4  7  3  2  3  2  1
       20.22911409            0.0314125810096807    0.0259459269191301   -0.0414761709658457    0.00784940237090555   0.0138888689656470    0.0687806166458933   -0.0194228679015142   -0.0311248582472546   -0.0372295564113010   -0.0306154352802809    0.000995676092028620
        8.49768170           -0.112470094209314    -0.0916543543564012    0.163082508214258    -0.0210283656461176   -0.0617297308836176   -0.285870633112056     0.0961682501307260    0.122411807179445     0.0348354865710114    0.0271697410243953   -0.00993336316755721
        4.46822954            0.0170551671081245    0.00182057644344438  -0.118700851525530    -0.0285348312864004    0.126483885204299     0.505571872818620    -0.186893700315703    -0.212205894921308    -0.253769514738437    -0.195568132567222     0.0176657938182662
        1.85447574            0.418835174111796     0.494539169808257    -0.175235159882369     0.124720233995677    -0.390793349166959     0.654815741711797    -0.210315255413379    -0.232803861620461    -0.537286603194877    -0.437231995869194     0.0416665420657119
        0.73883334           -0.244223113078021    -0.693998060460381    -0.449000650297103     0.175166538001777     0.632934732220040     0.118793663434900     0.244921214535170    -0.338025525042207    -0.449521944808422    -0.437707879188941     0.325682506912503
        0.27886581           -0.151697794953707    -0.171711835066689     0.841270913639801    -0.258387929702531     0.643359985353254     0.105534532069026     0.868767893221090    -0.314020083734058     0.451150106908785    -0.655678453895649     0.862827800624974
        0.06580050           -0.853224938635280     0.485011052457417    -0.132469752174248    -0.941105298627473    -0.112962288708204     0.451565235362193     0.310593954176173     0.819724187924813     0.488587955841477    -0.383931458987939     0.383811473364484

Pu DZVP-MOLOPT-GTH-q26
  1
  7  0  4  7  3  2  3  2  1
       19.81732743           0.0354904266925247   0.0264517163666890  -0.0531559872242963   0.0100779058263681   0.0181906202748818   0.0722866800260669  -0.0217929001055640  -0.0326606714670637  -0.0391455016426979  -0.0302500304618192   0.00103475271435743
        8.64355568          -0.131055614022895   -0.0901652630751770   0.222539345740206   -0.0272231311101340  -0.0733043661887036  -0.297607462198840    0.105414378717321    0.127846732271596    0.0464419876472461   0.0337157662195776  -0.00976970121347839
        4.55911405           0.0465298557075973  -0.00616857520052682 -0.210308433124798   -0.0253367213278079   0.124501950048401    0.516455262515063   -0.199879344643911   -0.218859148140751   -0.277477201158166   -0.199369411029247    0.0163599717118008
        1.89370186           0.404433731427059    0.499975540754821   -0.158421332367195    0.115652280834733   -0.366282654532877    0.639797969296662   -0.215571742662057   -0.215497794987785   -0.560736431582366   -0.425267385687947    0.0464614398123442
        0.76136275          -0.261766568783262   -0.682358003825016   -0.450788005256881    0.228427070695121    0.644367809278191    0.106055299414428    0.243528273001591   -0.349447284084513   -0.418399107820468   -0.440331370731585    0.308424808691477
        0.28090699          -0.162002068740976   -0.171947083742106    0.809797666604753   -0.311651219236583    0.646541275384043    0.140172548714246    0.873636078151800   -0.288671673338181    0.464868712303818   -0.670730164962334    0.884537148081220
        0.06008604          -0.849156509866798    0.495962392093680   -0.139074219413041   -0.914239863689390   -0.106800553579946    0.446364071909701    0.281858001155544    0.826320233248221    0.462310605020312   -0.365481875255833    0.346331256471518

Am DZVP-MOLOPT-GTH-q27
  1
  7  0  4  7  3  2  3  2  1
       19.99422642            0.0328935795881491    0.0277545455368389   -0.0550935859305378    0.00635813942058598   0.0159731198290985    0.0716133147969511   -0.0199898575646710   -0.0330027617077066   -0.0386846634283326   -0.0303026141053354    0.000414381774135736
        8.59229808           -0.130861194603581    -0.100822760357555     0.265073371954381    -0.0164776913674775   -0.0671297499318700   -0.327324668625207     0.109492963657499     0.142564904305905     0.0609509937250756    0.0437300564628040   -0.00590211484759571
        4.81578474            0.0518573252063793    0.00758267646998245  -0.243093842216639    -0.0196570435423691    0.113753582871651     0.527500006886922    -0.192545539959808    -0.227285042617556    -0.288553155953421    -0.209736250783759     0.00671680910755546
        1.97740171            0.378930619322116     0.488720920492077    -0.256432114714190     0.0683223281071729   -0.362646515332248     0.623301677004641    -0.196357417086604    -0.204185896551780    -0.560101289134993    -0.432837900026327     0.0529049940937889
        0.79654626           -0.262344768610136    -0.707473804125383    -0.484943955634211     0.225503694840867     0.615494148781904     0.0870076139504214    0.232156688223915    -0.357572917656511    -0.405282996772470    -0.430431035726195     0.198273693199224
        0.29685965           -0.127742908065145    -0.169944793448815     0.741240219692381    -0.276542891394251     0.682168002814281     0.128298469302517     0.880204738984308    -0.288685203735543     0.462077302732237    -0.666351875658125     0.834478884275201
        0.06016917           -0.866240576025710     0.469849342601279    -0.131305199035852    -0.931292560210764    -0.0812394742096725    0.443777009904721     0.288659948526248     0.820998268289509     0.469086723436966    -0.369507499840922     0.511325213232612

Cm DZVP-MOLOPT-GTH-q28
  1
  7  0  4  7  3  2  3  2  1
       19.43201393            0.0272791786034577    0.0379262221796328   -0.0289661879710410    0.000712486718919614  0.00816346803411158   0.0737918322568995   -0.0197994297546808   -0.0372572850311581   -0.0351076309546495   -0.0356226707551986    0.000513360577009831
        8.55013901           -0.102051269763255    -0.174874391067013     0.0413512450712631    0.00134838119703906  -0.0389684344673879   -0.360109602579856     0.118104200145458     0.175200448139244     0.0805514296945206    0.0758367338329708   -0.00601500659314539
        5.12233186            0.0102643662316756    0.129415991637090     0.222666148374207    -0.0249435554476438    0.0965884524932793    0.514043941128808    -0.183598769990586    -0.252479477818130    -0.250637393288800    -0.241620832837018     0.00666821305734013
        2.07516427            0.356230612298696     0.385537339055802    -0.737839787638054     0.0916895654351408   -0.394640790018404     0.604456908736506    -0.210483831028768    -0.185605483596512    -0.483124131826607    -0.495083740773401     0.0357752051319449
        0.83186888           -0.224766601844014    -0.677862008009172    -0.128504898825906     0.0297310391310703    0.609369394069261     0.0771301894362506    0.284080637450245    -0.386925100285926    -0.388581839480064    -0.444199538791344     0.155391509008765
        0.31048558            0.0550837799968935   -0.494195302428075    -0.546704509806625    -0.251909626870610     0.652047318818365     0.156115801816881     0.878374706834098    -0.216375040247212     0.360989611726937    -0.548459886711484     0.582143766092989
        0.06597995           -0.899044787693213     0.314431409815050    -0.296755688347756    -0.962614212478117    -0.191956693545352     0.452708849032155     0.235379469883769     0.820482921303209     0.644004305891372    -0.437458341212919     0.797246097711392

BK DZVP-MOLOPT-GTH-q29
  1
  7  0  4  7  3  2  3  2  1
       20.00066117            0.0309090563543971    0.0369183270631417   -0.0374497087729883    0.00220401701160646   0.0149603804163800    0.0671117723667609   -0.0193264676823087   -0.0399121780827372   -0.0360624784505062   -0.0342561151928550    0.000450861533352702
        8.53718028           -0.126878928134969    -0.202919995899008     0.0274005875720194   -0.00520112978284162  -0.0611950103782967   -0.354233929782660     0.124798158688049     0.201787392677208     0.0819122172004398    0.0730581108375718   -0.00503667628450823
        5.18073285            0.0427850473671113    0.179600452337894     0.270417021985619    -0.0125305329475392    0.0929944117715838    0.521705730542523    -0.198558972558068    -0.300221266900230    -0.280705334297701    -0.256107313462548     0.00635633930400946
        2.09037305            0.336205690669514     0.385990063326901    -0.740395189137567     0.0411372964375617   -0.346526394400285     0.571300163337267    -0.199236410053073    -0.197124447331151    -0.516160926683215    -0.476893461708270     0.0195492065356273
        0.83584264           -0.147297913097115    -0.724261060273833    -0.128019928716775     0.141505418687137     0.645079686110609     0.00381087698243753   0.288965777871656    -0.447665937434492    -0.359532464062202    -0.433333873881253     0.123933024821853
        0.30812937            0.00311427695365755  -0.407042989890445    -0.548104700165550    -0.292606977245881     0.660186897691697     0.173146995067143     0.878388824614042    -0.190454825120588     0.379891210996721    -0.570488163954267     0.409473488091392
        0.05518679           -0.919986503808682     0.293219681938637    -0.244394068552587    -0.944709570446420    -0.123807567496677     0.491384963553295     0.223300126674922     0.769428474526138     0.610893914257182    -0.432707418146252     0.903617132417894

Cf DZVP-MOLOPT-GTH-q30
  1
  7  0  4  7  3  2  3  2  1
       19.68592095            0.0310118492965392    0.0411947441161378   -0.0435310493220403    0.00252428572210756   0.0160199396518332    0.0665576061152278   -0.0188328351343861   -0.0406916244149829   -0.0366623431332182   -0.0355873802412068    0.000524264235116744
        8.49437421           -0.140577804108964    -0.234860358880151     0.0498528439895086   -0.00249093526376019  -0.0641519272253617   -0.382545957887375     0.134399421233737     0.225844108646816     0.105755793195102     0.0964180750414508   -0.00632360252817534
        5.43041459            0.0641190393398083    0.204090037987677     0.271633367181954    -0.0234546275221270    0.0853637511174335    0.526188847911997    -0.198772837736216    -0.314072169152312    -0.292540477469758    -0.272580189414521     0.00725477146167919
        2.16134401            0.314882374312953     0.399804828903842    -0.773910602329948     0.0647660242634473   -0.327823600548397     0.528519715734490    -0.191128909512841    -0.203389513009871    -0.507170660155661    -0.479083198388272     0.0248939634791112
        0.86555731           -0.165035752947952    -0.710932000139941    -0.223759984624782     0.116551716871878     0.630010375444455     0.0259456081443602    0.288715053037177    -0.376329454802308    -0.342902848437516    -0.430476926993746     0.138251919786356
        0.31964405            0.00437993652530554  -0.371263187503930    -0.475186789260490    -0.252332957220931     0.683885992856642     0.166141000614658     0.883963908245967    -0.207201313445127     0.392338525056645    -0.564487845988895     0.475275298538984
        0.06076609           -0.921280631372018     0.313665900034887    -0.216855757864057    -0.958116089921449    -0.127512682868378     0.514533647993986     0.201971893806581     0.789160164990844     0.610866346765402    -0.426215332420732     0.868497088852625

Es DZVP-MOLOPT-GTH-q31
  1
  7  0  4  7  3  2  3  2  1
       19.78341856            0.0303477183516526    0.0504979325985288    0.0179772908370354    0.000618740748306082  0.0155851467892709    0.0610295293580039   -0.0172259070899064   -0.0349824873748819   -0.0340794206468821   -0.0377164578828277    0.000359025139213606
        8.28904745           -0.188869149820111    -0.287603748961153    -0.0362872574561910    0.00909897142543187  -0.0681975484186872   -0.430322971074283     0.155588337525122     0.238398629869912     0.132990473671779     0.138288544739167    -0.00593519188705183
        5.77067798            0.134076144155198     0.219402281896615     0.169807242554996    -0.0355239133792486    0.0821603956009273    0.549049843514277    -0.211078201017253    -0.306819428222691    -0.294969050846876    -0.311643319831798     0.00538559004249389
        2.24618604            0.292510091421606     0.422969123631070    -0.639547711022601     0.0858250271417681   -0.308703577619121     0.466720883743668    -0.181732473384087    -0.176730205873753    -0.454156033975735    -0.498118628403896     0.0326293569023533
        0.90356566           -0.210539670485763    -0.621967840584180     0.00437438094276526   0.0300314290931623    0.584669667509946     0.0619588671207840    0.275826866879839    -0.303639788180740    -0.325952574453366    -0.422883125648338     0.0962660854381344
        0.33681866            0.0730839539212490   -0.428095204634851    -0.711439058509924    -0.152511288998988     0.731647374140808     0.170543552364501     0.884660696945117    -0.240207739981748     0.329134758400455    -0.501585597478717     0.472122240583275
        0.07052727           -0.900111480347328     0.342905675934046    -0.233108576590332    -0.983426337946932    -0.126140667335167     0.508811771344399     0.198014719937564     0.816500895490356     0.687977407235695    -0.451433019266140     0.875616580374819

Fm DZVP-MOLOPT-GTH-q32
  1
  7  0  4  7  3  2  3  2  1
       19.61795034             0.0312197465094561     0.0503228783349586     0.0226107491728595    -0.0000613842337701957  0.0165047436505241     0.0544470734687909    -0.0120980339118659    -0.0314631631115589    -0.0332062448465244    -0.0354630226221349     0.000641152295172876
        8.15644830            -0.244124005131922     -0.344241019492110     -0.00382843386609378    0.0169578233367866    -0.0750293828270097    -0.477236240688102      0.149472543497197      0.269175208646162      0.187341242194421      0.187275404853655     -0.00946170945664697
        6.12050418             0.193644371181684      0.285490210507090      0.133885327881610     -0.0426887406044899     0.0768079180787382     0.570412076778753     -0.189542904808508     -0.326019644331986     -0.340647274853102     -0.343545939317500      0.00901798379641465
        2.31239140             0.279893699575297      0.379574241859162     -0.664126139711984      0.0930569437835005    -0.287269813047133      0.403136946453871     -0.152036792974256     -0.138185396393905     -0.436559202516923     -0.469845849526697      0.0316943102323233
        0.92487882            -0.196582454875499     -0.596197168123486     -0.0415420179002372     0.00877542385537641    0.589848691632794      0.0478166177201999     0.300475349406269     -0.274473710749880     -0.310471946531814     -0.392176810471616      0.0832094843014822
        0.34182633             0.0712637896031872    -0.390838529423892     -0.698222805210686     -0.161820765454625      0.732150509579943      0.168869659478332      0.897468566966368     -0.185330839301542      0.318034570169569     -0.493985897866703      0.448489642871899
        0.07099458            -0.883100777216538      0.381023153727019     -0.226372396015425     -0.981309093457698     -0.147339525188641      0.500588015248911      0.150780081049576      0.831557229697026      0.677965547578187     -0.476515103707671      0.889245429341054

Md DZVP-MOLOPT-GTH-q33
  1
  7  0  4  7  3  2  3  2  1
       18.80163651            0.0241995918797353    0.0485921928390107    0.0760225511748139   -0.000300410394616841  0.0196811069981525    0.0389478840170090   -0.00664534535868822  -0.0231391183893513   -0.0270988665193124   -0.0311559604350888   -0.00115643860938343
        7.97770820           -0.339269386820882    -0.461692516000137    -0.0736945995240575    0.0478256032433555   -0.117532967266509    -0.542438673868809     0.165479863962637     0.315272054291284     0.307284162822593     0.327864973311776     0.0129167325569867
        6.76943794            0.293084278846485     0.401760328445367     0.160437660721712    -0.0761204339782952    0.104322413545243     0.583770254792234    -0.188065161524934    -0.344271111606146    -0.410738887001641    -0.439812705949658    -0.0168747589554301
        2.41595754            0.242311999835904     0.308142106752673    -0.710240270546977     0.0963143722800703   -0.257293539293148     0.264766879612906    -0.113171017917791    -0.0625440953360286   -0.323230997324299    -0.388031201783667     0.0330205787832948
        0.96649740           -0.132705508447891    -0.472054174628178     0.00484032107824677   0.00664948997024918   0.556489599678719     0.0267287987191899    0.282179304481958    -0.224315213445217    -0.241876659154797    -0.313024863134876     0.0592992185438434
        0.35735223            0.0988718683930933   -0.317819345310054    -0.649046838706107    -0.159723356697741     0.757448241740588     0.167277677578687     0.908932331237304    -0.191681168063163     0.298711794072922    -0.439971110227283     0.392660681362348
        0.07092679           -0.843985050113829     0.451964179953293    -0.193191524883550    -0.978307761524766    -0.159081774054947     0.514449109635550     0.136429201733432     0.831008282547263     0.695646698851529    -0.505936055996173     0.916928512234707

No DZVP-MOLOPT-GTH-q34
  1
  7  0  4  7  3  2  3  2  1
       18.74582176           -0.00951370158371805   0.0114770668842098    0.0423284877376071    0.00376698675258784   0.0176555574220461    0.0107914259518646    0.00229320492928202  -0.00346304386211774  -0.00618369697548255  -0.0102544601954780   -0.000101115607669966
        7.59490086           -0.415772443750467    -0.540571000914086    -0.185904625920710     0.0386532902659781   -0.214694237700731    -0.635826304950546     0.169193442071687     0.238876773238766     0.427506072292498     0.520954833931809     0.0384518248882507
        7.33543188            0.411347391574730     0.504857375326719     0.237316331608297    -0.0622961824597362    0.187538761119216     0.641919543059761    -0.178226276586075    -0.249518088374926    -0.451953046358552    -0.554828904994938    -0.0427057178706229
        2.47313297            0.200667823348614     0.219396962569632    -0.765854866571852     0.0618108303619590   -0.226457490801999     0.0851626207858407   -0.0999307470399681    0.119152429165771    -0.0478723005797404   -0.141450644863532     0.0373906573445173
        0.98774259            0.161739716242718    -0.277811943263956     0.0259961820297968    0.0510305675857629    0.539197864255618     0.0213228218744623    0.263290041894099    -0.171446780232683    -0.0539692182240289   -0.0960509986963579   -0.0143771220961229
        0.36552780            0.265532743187611    -0.0876866996090183   -0.541353931113155    -0.129235905324700     0.751907468802849     0.210366720247020     0.923691995445306    -0.112890391359813     0.284219822514528    -0.282934572742904     0.253658894552470
        0.06093574           -0.721734812172812     0.565479301293598    -0.164484561815165    -0.985639032207079    -0.105079517834942     0.362748209640679     0.0841962700543081    0.907926802015635     0.725915575492965    -0.558014105104175     0.964753891372069

Lr DZVP-MOLOPT-GTH-q35
  1
  7  0  4  7  3  2  3  2  1
       18.47690265           -0.0307387898720935    0.000808115828520572  0.0732471894192942    0.00214921852913981   0.00126374976728622   0.00637813967868471  -0.000592789703351736  0.00542611337569728  -0.00103443163441460  -0.00474003850012845   0.00134099232012335
        7.79575737           -0.411995907117589    -0.546260900263978    -0.188875862780971     0.0405274100731048   -0.157056865656885    -0.644037664577270     0.166131090755254     0.235819760236292     0.447976523784051     0.537047921105052     0.0415865718061940
        7.70433163            0.404146244685150     0.514881676416815     0.261839955570748    -0.0567556789314288    0.199372231055952     0.638412665658917    -0.159264295469369    -0.262646079057763    -0.454383863003102    -0.548536778408650    -0.0512204939969484
        2.61859759            0.195285881875678     0.195583338136391    -0.756656964639215     0.0568362903446542   -0.380006381162146     0.0538633943435225   -0.0872634910583517    0.136438405907735     0.0285896851006599   -0.0828799352169287    0.0473192517460492
        1.07550482            0.187215699500752    -0.207965830854124     0.0457856072907080    0.0269883497348361    0.547339655771320     0.00360208834396420   0.245900102358498    -0.165560663785498    -0.0189230658417685   -0.0302811949957544   -0.0143082752328887
        0.40701809            0.309813309524259    -0.0437600577337377   -0.534035933614557    -0.109501201038802     0.693749059705379     0.182708289248384     0.930701560062289    -0.139671210719966     0.290381328621921    -0.256149728086910     0.271457270859943
        0.07126367           -0.704847310886942     0.594203385609277    -0.174871761597021    -0.989536484850873    -0.101533004606478     0.375908918510396     0.112906254740354     0.899912671334055     0.712288214562540    -0.580745854547312     0.958912056213207

