comp-chem/NWChem
1
0
Fork 0
mirror of https://github.com/nwchemgit/nwchem.git synced 2026-07-21 06:25:21 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 4
NWChem/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_sc
Huub Van Dam 97f303e6f8 HvD: In the CVS era the $Id: $ tags in the source code files would 
automatically be expanded to include useful information about the
checkin (including the file's revision number). With the switch over
to SVN this was lost because SVN only does this expansion if you 
explicitly ask for it (for every single file). 

I have added a script to the contrib directory that sets the appropriate
property to get SVN to do this expansion. This script will make it easy
to do this every time new source files are added. It is called
svn_expand_Id, the script contains some comments that explain the issue
and how it addresses this.  

This checkin sets this property for a subset of the relevant files
(trying to commit all files at once failed with svn crashing). 
In future the script will only affect those files for which the property
was not set before.
2010-10-29 18:04:21 +00:00

1285 lines
86 KiB
Text
Raw Blame History

# $Id$
basis "Ga_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Ga s
2.5339378E+06 3.24638965618E-05 -1.02554132821E-05 3.93198344248E-06 -9.23027570672E-07
3.0189559E+05 3.37322342463E-04 -1.07319132400E-04 4.09907090822E-05 -9.60793049579E-06
5.8328565E+04 2.10353722230E-03 -6.64111945138E-04 2.55124158095E-04 -5.99318159509E-05
1.4613208E+04 9.90506098225E-03 -3.18564636990E-03 1.21568806332E-03 -2.84776585582E-04
4.3363195E+03 3.80141414644E-02 -1.22393344915E-02 4.72627897814E-03 -1.11166488725E-03
1.4515728E+03 1.18580890004E-01 -4.09246865566E-02 1.57026685560E-02 -3.67830375558E-03
5.3216174E+02 2.81913554496E-01 -1.06171490928E-01 4.20723431594E-02 -9.94104475755E-03
2.0978123E+02 4.13042030071E-01 -2.14751530563E-01 8.60510786617E-02 -2.02315555296E-02
8.6925370E+01 2.56835108710E-01 -1.55227926915E-01 7.10289674067E-02 -1.72602117500E-02
2.7823619E+01 2.61677800804E-02 4.89087819922E-01 -3.00061511354E-01 7.56943728879E-02
1.1739618E+01 -5.19889586779E-03 6.24120516997E-01 -5.18454274062E-01 1.34130056285E-01
3.3959518E+00 1.68086685673E-03 6.71192342904E-02 5.90252492965E-01 -1.89508813593E-01
1.3690033E+00 -7.57699702470E-04 -1.13947396252E-02 6.69066851797E-01 -3.56108841690E-01
2.0161929E-01 1.84846874465E-04 2.54104502981E-03 2.75677300148E-02 6.25987054220E-01
7.3544566E-02 -8.53767018619E-05 -1.14185570420E-03 -9.12647782590E-03 5.24273204580E-01
Ga s
1.3690033E+00 9.99917997631E-01
Ga s
7.3544566E-02 9.99995594142E-01
Ga p
5.1226521E+03 8.59258436047E-04 -3.27578349586E-04 5.41994016693E-05
1.0412557E+03 8.86142792443E-03 -3.40066435289E-03 5.55875642348E-04
3.1099341E+02 4.92245690612E-02 -1.92231053892E-02 3.19086284660E-03
1.1152002E+02 1.77117929424E-01 -7.20202666090E-02 1.18171427183E-02
4.4242428E+01 3.89038556812E-01 -1.68397853199E-01 2.84354664779E-02
1.8549857E+01 4.23536708901E-01 -1.83634153240E-01 2.94324127424E-02
7.6945833E+00 1.33066206759E-01 1.76053218462E-01 -3.29137942145E-02
3.1465846E+00 1.38579469703E-03 5.88700032027E-01 -1.25779365132E-01
1.1994069E+00 1.60821169114E-03 3.80761035954E-01 -6.62203282159E-02
2.3982093E-01 -7.78157263731E-04 2.23435949856E-02 4.25145422107E-01
6.5156257E-02 -1.33028195342E-04 -4.16679516657E-03 6.98329397610E-01
Ga p
1.1994069E+00 9.99880268352E-01
Ga p
6.5156257E-02 9.99993494461E-01
Ga d
1.0527765E+02 1.12706253505E-02
3.0546613E+01 7.28181828431E-02
1.0887423E+01 2.34159742345E-01
4.1460714E+00 4.02007437746E-01
1.5253821E+00 4.11641977015E-01
5.0539708E-01 1.98350461666E-01
1.9138954E-01 1.38421045452E-02
Ga d
1.5253821E+00 9.99786852991E-01
Ga d
5.0539708E-01 9.99929361752E-01
Ga d
1.9138954E-01 9.99973247879E-01
Ga f
3.9374394E+00 9.99293211416E-01
Ga f
7.2939434E-01 9.99868940395E-01
end
basis "Ge_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Ge s
2.8175173E+06 3.10401322395E-05 -9.85430209697E-06 3.81706098252E-06 -9.86722799841E-07
3.3473037E+05 3.24252737913E-04 -1.03659192774E-04 4.00148519297E-05 -1.03319918490E-05
6.4402606E+04 2.03161749390E-03 -6.44615256211E-04 2.50138801617E-04 -6.46966988346E-05
1.6069168E+04 9.60755307444E-03 -3.10414920672E-03 1.19742704818E-03 -3.09049012386E-04
4.7513554E+03 3.70249153370E-02 -1.19756516997E-02 4.67003435558E-03 -1.20916390500E-03
1.5856341E+03 1.16087017426E-01 -4.01897290771E-02 1.55910771614E-02 -4.02510850266E-03
5.7974908E+02 2.78168163234E-01 -1.04956431607E-01 4.19734489262E-02 -1.09139527650E-02
2.2793794E+02 4.13253178094E-01 -2.14049074470E-01 8.67738743900E-02 -2.25080109698E-02
9.4165431E+01 2.62567205300E-01 -1.59938162525E-01 7.34680319206E-02 -1.95912890355E-02
3.0123898E+01 2.75873296395E-02 4.82008326796E-01 -2.98409342302E-01 8.28834691431E-02
1.2748988E+01 -5.61907754123E-03 6.28745316758E-01 -5.29270554512E-01 1.52170463370E-01
3.7562490E+00 1.89272509748E-03 7.10401658487E-02 5.67531388630E-01 -2.04218359911E-01
1.5461753E+00 -8.76547339396E-04 -1.22842532009E-02 6.90947727653E-01 -4.05715347120E-01
2.5478689E-01 2.26278524320E-04 2.83215566735E-03 3.14300198074E-02 6.51966158100E-01
9.4605272E-02 -1.01935055185E-04 -1.24258478753E-03 -9.64948212998E-03 5.19658857157E-01
Ge s
1.5461753E+00 9.99907386843E-01
Ge s
9.4605272E-02 9.99994332463E-01
Ge p
5.8318413E+03 7.86021522915E-04 -3.03996573712E-04 6.00290752311E-05
1.1709342E+03 8.25204089157E-03 -3.21683765738E-03 6.25424353686E-04
3.4765990E+02 4.64686862416E-02 -1.83950090049E-02 3.64516160226E-03
1.2427841E+02 1.69815793350E-01 -7.00808373875E-02 1.36753485757E-02
4.9266501E+01 3.81105311573E-01 -1.66933864954E-01 3.37169717757E-02
2.0682780E+01 4.28672010484E-01 -1.91348158047E-01 3.63769029047E-02
8.6697716E+00 1.44109098501E-01 1.56728813380E-01 -3.45761070301E-02
3.5576107E+00 3.04476645509E-03 5.87647047900E-01 -1.54118684548E-01
1.3783228E+00 1.48683471728E-03 3.94018875486E-01 -7.84815567327E-02
2.9396632E-01 -8.10634440775E-04 2.42296486380E-02 4.89146224809E-01
8.4171224E-02 -1.63871253087E-04 -4.30169347696E-03 6.38451416630E-01
Ge p
1.3783228E+00 9.99862412176E-01
Ge p
8.4171224E-02 9.99991595936E-01
Ge d
1.2138547E+02 1.03697199190E-02
3.5349248E+01 6.86708918659E-02
1.2678712E+01 2.26914331967E-01
4.8868358E+00 4.01714319185E-01
1.8375790E+00 4.16512157097E-01
6.3009513E-01 1.90963799836E-01
2.4355143E-01 1.14598173285E-02
Ge d
1.8375790E+00 9.99743247912E-01
Ge d
6.3009513E-01 9.99911935621E-01
Ge d
2.4355143E-01 9.99965957202E-01
Ge f
4.6427129E+00 9.99166793146E-01
Ge f
9.6665626E-01 9.99826321264E-01
end
basis "As_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
As s
3.1243334E+06 2.97274348595E-05 -9.48289270537E-06 3.71124580355E-06 -1.03048859163E-06
3.7008937E+05 3.12124750343E-04 -1.00247768055E-04 3.91111909180E-05 -1.08508512771E-05
7.0907383E+04 1.96476601187E-03 -6.26425057229E-04 2.45562538778E-04 -6.82117288378E-05
1.7619521E+04 9.33115154275E-03 -3.02823543898E-03 1.18079361455E-03 -3.27508597511E-04
5.1909618E+03 3.61065726760E-02 -1.17308336962E-02 4.62026623398E-03 -1.28454988548E-03
1.7269528E+03 1.13769643087E-01 -3.95083034527E-02 1.54953527889E-02 -4.30023262249E-03
6.2969403E+02 2.74660140725E-01 -1.03830551068E-01 4.19145285838E-02 -1.16995000044E-02
2.4691683E+02 4.13360150491E-01 -2.13369848730E-01 8.74955790431E-02 -2.44186773135E-02
1.0170796E+02 2.67907605083E-01 -1.64243706550E-01 7.58303345141E-02 -2.16558767633E-02
3.2528466E+01 2.89755663707E-02 4.75133071926E-01 -2.96997214884E-01 8.85918323241E-02
1.3807231E+01 -6.03350506415E-03 6.33098697113E-01 -5.39878211078E-01 1.68160942984E-01
4.1370645E+00 2.10800083050E-03 7.48728992267E-02 5.47220204252E-01 -2.15283802684E-01
1.7359875E+00 -9.98816397340E-04 -1.31336370530E-02 7.10611894680E-01 -4.48303850890E-01
3.1149420E-01 2.67423406136E-04 3.07033493248E-03 3.50954061893E-02 6.68190455463E-01
1.1697081E-01 -1.17555050171E-04 -1.31724113914E-03 -1.00288223213E-02 5.22514372388E-01
As s
1.7359875E+00 9.99896019464E-01
As s
1.1697081E-01 9.99992992623E-01
As p
6.6086638E+03 7.22246971163E-04 -2.83352236127E-04 6.31052258157E-05
1.3107309E+03 7.71540365013E-03 -3.05429578634E-03 6.69148168778E-04
3.8681121E+02 4.40226432723E-02 -1.76651471812E-02 3.94842525654E-03
1.3781978E+02 1.63228612469E-01 -6.83495261779E-02 1.50330896330E-02
5.4579618E+01 3.73642988556E-01 -1.65667210359E-01 3.77695994657E-02
2.2935656E+01 4.32858949575E-01 -1.98224684869E-01 4.25814852120E-02
9.6959046E+00 1.54506753484E-01 1.39816627108E-01 -3.50123438351E-02
3.9922459E+00 4.72137989503E-03 5.86038126749E-01 -1.76390148799E-01
1.5721764E+00 1.36367040486E-03 4.05086769097E-01 -9.10856424082E-02
3.5909732E-01 -8.37173767551E-04 2.63603059552E-02 5.21425443491E-01
1.0528574E-01 -2.09767161996E-04 -4.21374356615E-03 6.10525640760E-01
As p
1.5721764E+00 9.99843066424E-01
As p
1.0528574E-01 9.99989487798E-01
As d
1.3796566E+02 9.68956883328E-03
4.0280939E+01 6.55208048966E-02
1.4521035E+01 2.21347024776E-01
5.6501102E+00 4.01669849269E-01
2.1613585E+00 4.20289377440E-01
7.6004375E-01 1.84729909843E-01
3.0271319E-01 9.86565676245E-03
As d
2.1613585E+00 9.99698031985E-01
As d
7.6004375E-01 9.99893776852E-01
As d
3.0271319E-01 9.99957688373E-01
As f
5.3479865E+00 9.99040429940E-01
As f
1.2285248E+00 9.99779289335E-01
end
basis "Se_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Se s
3.4418289E+06 2.86096242044E-05 -9.16886898204E-06 3.62490229316E-06 -1.06452940200E-06
4.0706814E+05 3.01599855858E-04 -9.73064879025E-05 3.83605936097E-05 -1.12593152967E-05
7.7724485E+04 1.90584021605E-03 -6.10500914340E-04 2.41728288225E-04 -7.10081747722E-05
1.9242613E+04 9.08544790737E-03 -2.96125227606E-03 1.16689593782E-03 -3.42457463842E-04
5.6502473E+03 3.52848271448E-02 -1.15140965363E-02 4.57968387138E-03 -1.34628178257E-03
1.8742536E+03 1.11680793597E-01 -3.89019123009E-02 1.54211986310E-02 -4.52938112045E-03
6.8163116E+02 2.71450611351E-01 -1.02827053251E-01 4.18995643517E-02 -1.23629923072E-02
2.6660898E+02 4.13342588448E-01 -2.12736604479E-01 8.82090393675E-02 -2.60752360688E-02
1.0952284E+02 2.72745110984E-01 -1.68076395115E-01 7.80576433702E-02 -2.35191971152E-02
3.5034690E+01 3.03030922315E-02 4.68588583026E-01 -2.95823589660E-01 9.33183689760E-02
1.4913074E+01 -6.43116991315E-03 6.37112009788E-01 -5.50091429756E-01 1.82651638989E-01
4.5376170E+00 2.32109654591E-03 7.85692151713E-02 5.29150231294E-01 -2.24026921844E-01
1.9376206E+00 -1.12143568643E-03 -1.39363319123E-02 7.28202231085E-01 -4.85742011580E-01
3.7182040E-01 3.07743815421E-04 3.26743763284E-03 3.85743961624E-02 6.79795348197E-01
1.4072142E-01 -1.32200836864E-04 -1.37388012424E-03 -1.03040734549E-02 5.28037817847E-01
Se s
1.9376206E+00 9.99883944644E-01
Se s
1.4072142E-01 9.99991569814E-01
Se p
7.4146984E+03 6.72540388379E-04 -2.67574095993E-04 6.51194384426E-05
1.4535510E+03 7.30012733437E-03 -2.93281419494E-03 7.01819474512E-04
4.2640806E+02 4.21487185715E-02 -1.71431100988E-02 4.18756512989E-03
1.5142274E+02 1.58215480806E-01 -6.71914197281E-02 1.61464581242E-02
5.9888667E+01 3.67961123951E-01 -1.65232719412E-01 4.11928580902E-02
2.5177368E+01 4.35842298863E-01 -2.03813395101E-01 4.79391716239E-02
1.0701263E+01 1.62417616051E-01 1.28408319430E-01 -3.54583858841E-02
4.4231956E+00 5.99961676845E-03 5.85265647661E-01 -1.95615078606E-01
1.7702028E+00 1.27145987268E-03 4.11090143476E-01 -1.00664995148E-01
4.2839630E-01 -8.70561220802E-04 2.79671731670E-02 5.43927396128E-01
1.2754023E-01 -2.56465711958E-04 -3.97430188438E-03 5.92167790542E-01
Se p
1.7702028E+00 9.99823305572E-01
Se p
1.2754023E-01 9.99987265858E-01
Se d
1.5513405E+02 9.15069393477E-03
4.5376266E+01 6.30082687284E-02
1.6426797E+01 2.16872226984E-01
6.4410698E+00 4.01752375792E-01
2.4987276E+00 4.23304570111E-01
8.9598920E-01 1.79494980656E-01
3.6572097E-01 8.73651300420E-03
Se d
2.4987276E+00 9.99650925760E-01
Se d
8.9598920E-01 9.99874781315E-01
Se d
3.6572097E-01 9.99948882259E-01
Se f
6.0532600E+00 9.98914121754E-01
Se f
1.5075295E+00 9.99729188105E-01
end
basis "Br_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Br s
3.7895813E+06 2.75301654264E-05 -8.86301494240E-06 3.53856451277E-06 -1.08752535787E-06
4.4717799E+05 2.91430495880E-04 -9.44405019738E-05 3.76068863515E-05 -1.15546294742E-05
8.5061721E+04 1.84911429528E-03 -5.95048801205E-04 2.37910247226E-04 -7.31304145337E-05
2.0977397E+04 8.84974170295E-03 -2.89658300819E-03 1.15306877948E-03 -3.54279182300E-04
6.1380826E+03 3.44992172630E-02 -1.13058217432E-02 4.54000588807E-03 -1.39637496450E-03
2.0298456E+03 1.09686903223E-01 -3.83219079273E-02 1.53481491980E-02 -4.72045398339E-03
7.3621983E+02 2.68374388701E-01 -1.01865847960E-01 4.18887026383E-02 -1.29290387082E-02
2.8721282E+02 4.13265504067E-01 -2.12109881698E-01 8.88865887487E-02 -2.75335423178E-02
1.1766792E+02 2.77363809498E-01 -1.71651017887E-01 8.02134883680E-02 -2.52419345434E-02
3.7649015E+01 3.16190309864E-02 4.62234454397E-01 -2.94719589927E-01 9.72917856467E-02
1.6068678E+01 -6.82663367981E-03 6.40925966601E-01 -5.59933510960E-01 1.95977676926E-01
4.9578277E+00 2.53657932748E-03 8.21495282001E-02 5.12943315548E-01 -2.31130290048E-01
2.1507746E+00 -1.24622664417E-03 -1.47021321875E-02 7.44032880991E-01 -5.19128044070E-01
4.3577719E-01 3.47874094895E-04 3.43376434934E-03 4.18811196137E-02 6.88892559529E-01
1.6587169E-01 -1.46287733263E-04 -1.41834060204E-03 -1.05034231772E-02 5.34377345732E-01
Br s
2.1507746E+00 9.99871180448E-01
Br s
1.6587169E-01 9.99990063165E-01
Br p
8.2263682E+03 6.35983279875E-04 -2.56491073598E-04 6.68687594514E-05
1.5952921E+03 7.00289477960E-03 -2.85292335311E-03 7.31153233064E-04
4.6530995E+02 4.08509244228E-02 -1.68373942963E-02 4.40627177083E-03
1.6469220E+02 1.54874642732E-01 -6.66716690358E-02 1.71635222641E-02
6.5035208E+01 3.64405904207E-01 -1.65798655910E-01 4.43085464023E-02
2.7337365E+01 4.37868505555E-01 -2.08254238360E-01 5.25470707907E-02
1.1649478E+01 1.67338249727E-01 1.22899227147E-01 -3.67113214147E-02
4.8374515E+00 6.67069746809E-03 5.85958158785E-01 -2.13154942728E-01
1.9673705E+00 1.23965277452E-03 4.11586198141E-01 -1.06483950532E-01
5.0065031E-01 -9.20214255638E-04 2.88912831479E-02 5.61851719147E-01
1.5075992E-01 -2.99815715277E-04 -3.60193444198E-03 5.77899418774E-01
Br p
1.9673705E+00 9.99803631753E-01
Br p
1.5075992E-01 9.99984947569E-01
Br d
1.7296284E+02 8.70904621160E-03
5.0656480E+01 6.09339369604E-02
1.8403483E+01 2.13158124902E-01
7.2628043E+00 4.01900810036E-01
2.8508637E+00 4.25776823672E-01
1.0383609E+00 1.75046943201E-01
4.3215895E-01 7.89567464325E-03
Br d
2.8508637E+00 9.99601765793E-01
Br d
1.0383609E+00 9.99854889174E-01
Br d
4.3215895E-01 9.99939597021E-01
Br f
6.7585335E+00 9.98787868547E-01
Br f
1.7971517E+00 9.99677189424E-01
end
basis "Kr_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Kr s
4.1409874E+06 2.66440138157E-05 -8.61577416315E-06 3.47247300973E-06 -1.10839581694E-06
4.8847354E+05 2.82849744310E-04 -9.20554018117E-05 3.70119551600E-05 -1.18133368423E-05
9.2664030E+04 1.80005997851E-03 -5.81862781497E-04 2.34823197284E-04 -7.49598321395E-05
2.2777635E+04 8.64299274917E-03 -2.84061216402E-03 1.14184017497E-03 -3.64489487596E-04
6.6441807E+03 3.38024120738E-02 -1.11241260057E-02 4.50837489976E-03 -1.43984927646E-03
2.1910986E+03 1.07898558539E-01 -3.78112294831E-02 1.52931044318E-02 -4.88757169662E-03
7.9272239E+02 2.65563635507E-01 -1.01015257366E-01 4.19083807859E-02 -1.34290487811E-02
3.0851234E+02 4.13080636629E-01 -2.11527602294E-01 8.95419417295E-02 -2.88396522028E-02
1.2608342E+02 2.81528410395E-01 -1.74812393616E-01 8.22175223206E-02 -2.68255430895E-02
4.0366599E+01 3.28710946692E-02 4.56234990917E-01 -2.93773754895E-01 1.00722776009E-01
1.7272037E+01 -7.20156280814E-03 6.44426222934E-01 -5.69288814943E-01 2.08316463699E-01
5.3973698E+00 2.74622836653E-03 8.55712390224E-02 4.98464711306E-01 -2.37121792245E-01
2.3750913E+00 -1.36887112309E-03 -1.54216395065E-02 7.58249247646E-01 -5.49144531934E-01
5.0339441E-01 3.86723818662E-04 3.57307209966E-03 4.50081438741E-02 6.96474817876E-01
1.9243731E-01 -1.59451661090E-04 -1.45290550691E-03 -1.06379340741E-02 5.40780257787E-01
Kr s
2.3750913E+00 9.99857748404E-01
Kr s
1.9243731E-01 9.99988471736E-01
Kr p
9.0159079E+03 6.11821566214E-04 -2.50104674570E-04 6.85009969040E-05
1.7313108E+03 6.82129250861E-03 -2.81668969509E-03 7.58278299900E-04
5.0226194E+02 4.01343428248E-02 -1.67655813655E-02 4.60994528201E-03
1.7720157E+02 1.53289471266E-01 -6.68810772345E-02 1.80920457155E-02
6.9850788E+01 3.63244867745E-01 -1.67596478002E-01 4.70956636974E-02
2.9341601E+01 4.39102236578E-01 -2.11684082087E-01 5.61492140162E-02
1.2501417E+01 1.68905756086E-01 1.23892314727E-01 -3.93117408869E-02
5.2199001E+00 6.55468812604E-03 5.89018422715E-01 -2.29134371030E-01
2.1574198E+00 1.29474618542E-03 4.06041156966E-01 -1.07186615817E-01
5.7498183E-01 -9.80702245363E-04 2.81403702723E-02 5.77458344846E-01
1.7477232E-01 -3.23033767885E-04 -3.91207259467E-03 5.65247064897E-01
Kr p
2.1574198E+00 9.99784669483E-01
Kr p
1.7477232E-01 9.99982550154E-01
Kr d
1.9150272E+02 8.33762383280E-03
5.6136172E+01 5.91763074163E-02
2.0456151E+01 2.09993868111E-01
8.1173800E+00 4.02085566515E-01
3.2185448E+00 4.27808126964E-01
1.1874422E+00 1.71494295828E-01
4.6525124E-01 7.37643845314E-03
Kr d
3.2185448E+00 9.99550444568E-01
Kr d
1.1874422E+00 9.99834061029E-01
Kr d
4.6525124E-01 9.99934972220E-01
Kr f
7.4638070E+00 9.98661670278E-01
Kr f
2.0974412E+00 9.99623285381E-01
end
basis "In_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
In s
3.5273853E+07 3.28102216187E-06 -1.12099245804E-06 4.92208008140E-07 2.11507369556E-07 5.88532860954E-08
5.5955652E+06 3.07409812391E-05 -1.04975856186E-05 4.61958813674E-06 1.98198350532E-06 5.51096173412E-07
1.2143865E+06 1.74778810693E-04 -5.97623343049E-05 2.62309308962E-05 1.12756575346E-05 3.13801627800E-06
3.1483490E+05 8.11183716132E-04 -2.77383212773E-04 1.22167460593E-04 5.23942991883E-05 1.45655546138E-05
9.3260917E+04 3.21748435836E-03 -1.10460740189E-03 4.84772159767E-04 2.08510704885E-04 5.80429690567E-05
3.0645910E+04 1.12576854263E-02 -3.88540785261E-03 1.71505217946E-03 7.35318391668E-04 2.04372040037E-04
1.0953510E+04 3.49755107962E-02 -1.22961352251E-02 5.40955238791E-03 2.33006948390E-03 6.48916562035E-04
4.1948598E+03 9.51407408882E-02 -3.47052748086E-02 1.54675012429E-02 6.63646081266E-03 1.84424291027E-03
1.7007703E+03 2.14508372809E-01 -8.56908969527E-02 3.83487028503E-02 1.66054752184E-02 4.63072970668E-03
7.2264737E+02 3.52988422801E-01 -1.69304670802E-01 7.90554926053E-02 3.41279861089E-02 9.48701703884E-03
3.1801130E+02 3.22897900403E-01 -2.12174404770E-01 1.02202258808E-01 4.53839720187E-02 1.27399182918E-02
1.3987329E+02 9.48938739928E-02 4.09065250579E-02 -2.26807799531E-02 -1.20199241535E-02 -3.57769192345E-03
6.5405728E+01 -1.44152387209E-03 5.60935236060E-01 -4.47998032797E-01 -2.12712912991E-01 -5.99228009745E-02
3.0768410E+01 2.24550467495E-03 4.89455456097E-01 -4.98122598129E-01 -2.70133640618E-01 -7.90043666227E-02
1.2042923E+01 -1.15225840118E-03 6.57303698259E-02 5.61721773443E-01 4.33952442538E-01 1.36126485309E-01
5.9404913E+00 5.92236118470E-04 -9.77605488152E-03 7.38628512598E-01 7.86814484065E-01 2.55307784603E-01
2.0529594E+00 -2.24618862564E-04 2.74466958498E-03 6.92202399353E-02 -7.19877265711E-01 -3.18274802395E-01
9.1175079E-01 9.78887547059E-05 -1.19025467408E-03 -9.34907335585E-03 -6.90243663217E-01 -4.21222943377E-01
1.6986675E-01 -2.30293486831E-05 2.62823467062E-04 1.96143491233E-03 -2.48119186755E-02 6.62415529795E-01
6.3031726E-02 9.71982996686E-06 -1.11059775289E-04 -7.97420496719E-04 6.71447434565E-03 5.33195364648E-01
In s
9.1175079E-01 9.99945384170E-01
In s
6.3031726E-02 9.99996223934E-01
In p
1.5343905E+05 2.37155265888E-05 -1.09173753049E-05 4.48975591760E-06 -9.00506278919E-07
2.3200840E+04 3.55801375707E-04 -1.63735230197E-04 6.67193843787E-05 -1.34244721882E-05
5.5031001E+03 2.98936834002E-03 -1.38423689043E-03 5.69810368333E-04 -1.14308958468E-04
1.6982515E+03 1.69028044120E-02 -7.88888066437E-03 3.22375331306E-03 -6.48833771072E-04
6.1832874E+02 6.91948695936E-02 -3.31660469225E-02 1.37469436156E-02 -2.75991249072E-03
2.5100531E+02 2.02897487641E-01 -1.01583067535E-01 4.20123672520E-02 -8.47519702453E-03
1.0931559E+02 3.83808242624E-01 -2.06581312106E-01 8.80857517298E-02 -1.77173015188E-02
4.9808315E+01 3.71800498513E-01 -1.78812312387E-01 7.05990856270E-02 -1.43099820627E-02
2.2516122E+01 1.18282720065E-01 2.34940709190E-01 -1.32562021586E-01 2.83180335676E-02
1.0496080E+01 6.78770370357E-04 6.06524363461E-01 -3.99640590110E-01 8.44520837068E-02
4.9584017E+00 1.28982703684E-03 2.89264642194E-01 -5.06557067787E-02 6.99651177607E-03
2.0901780E+00 -1.79048071441E-03 2.05438563452E-02 6.68513340979E-01 -1.83250751642E-01
8.4039014E-01 -6.68246243324E-04 4.91811725197E-04 4.66715783112E-01 -1.17366413169E-01
1.8883852E-01 -9.25531189792E-04 1.02926174618E-04 2.77206093382E-02 4.38667081695E-01
5.5054613E-02 -5.01302236406E-04 2.09340109876E-05 -4.68688649193E-03 6.91045928342E-01
In p
8.4039014E-01 9.99916102275E-01
In p
5.5054613E-02 9.99994503052E-01
In d
6.8982131E+02 3.22593035589E-03 -1.16121763287E-03
2.0085350E+02 2.78452195708E-02 -9.91186665444E-03
7.5107455E+01 1.21986982279E-01 -4.49014912604E-02
3.1500654E+01 3.11595518965E-01 -1.12871838764E-01
1.3826508E+01 4.43348370049E-01 -1.57175320949E-01
6.2052383E+00 2.81526686559E-01 1.10301107223E-02
2.5683242E+00 4.63281529296E-02 4.00990698437E-01
1.0117775E+00 -1.34394272042E-03 5.20638976578E-01
3.5616355E-01 8.22882624971E-04 2.36816033851E-01
1.5088292E-01 -3.43637622005E-04 1.24916001309E-02
In d
1.0117775E+00 9.99858603295E-01
In d
3.5616355E-01 9.99950218009E-01
In d
1.5088292E-01 9.99978909624E-01
In f
1.7289618E+00 9.99689431390E-01
In f
5.8178958E-01 9.99895457654E-01
end
basis "Sn_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Sn s
3.6003685E+07 3.34100654266E-06 -1.14597898665E-06 5.05547394598E-07 2.20094489800E-07 6.61463752057E-08
5.8067184E+06 3.10162326811E-05 -1.06320409986E-05 4.70059080935E-06 2.04345966076E-06 6.13752852323E-07
1.2727830E+06 1.74531845056E-04 -5.99146445287E-05 2.64222547681E-05 1.15067988992E-05 3.45865738819E-06
3.3188926E+05 8.04709343016E-04 -2.76215946549E-04 1.22218743897E-04 5.31128599342E-05 1.59498922699E-05
9.8649286E+04 3.17737548352E-03 -1.09518894853E-03 4.82926886073E-04 2.10431683387E-04 6.32638929083E-05
3.2477697E+04 1.10866128978E-02 -3.84039149005E-03 1.70300210348E-03 7.39893176217E-04 2.22152379268E-04
1.1619233E+04 3.43894579672E-02 -1.21346975365E-02 5.36398622072E-03 2.34050367159E-03 7.03932437840E-04
4.4515132E+03 9.35471525698E-02 -3.42129991780E-02 1.53164167843E-02 6.65984467185E-03 1.99948647894E-03
1.8049709E+03 2.11393549785E-01 -8.45659213418E-02 3.80195958107E-02 1.66752309825E-02 5.02153640473E-03
7.6692971E+02 3.50285712884E-01 -1.67495066421E-01 7.85066521547E-02 3.43529137666E-02 1.03196888175E-02
3.3769568E+02 3.25304614625E-01 -2.12661859922E-01 1.02851747597E-01 4.62275028838E-02 1.40062349911E-02
1.4941795E+02 9.91589612886E-02 3.19852154474E-02 -1.79565975669E-02 -9.88475461343E-03 -3.18691093977E-03
6.9479760E+01 -5.69440735801E-04 5.55187824523E-01 -4.43100143307E-01 -2.13557519658E-01 -6.51193030240E-02
3.2638162E+01 2.09036641065E-03 4.98254735272E-01 -5.10354219785E-01 -2.80067190897E-01 -8.84475380762E-02
1.2803297E+01 -1.10699593583E-03 6.90274788699E-02 5.48516331631E-01 4.30616894040E-01 1.46259936886E-01
6.3511153E+00 5.81186616946E-04 -1.05128567565E-02 7.48999295564E-01 8.11075769760E-01 2.87022259464E-01
2.2359332E+00 -2.29267739386E-04 3.05209851527E-03 7.43121294236E-02 -6.98344435475E-01 -3.39145010097E-01
1.0133249E+00 1.02951711281E-04 -1.35008391671E-03 -1.01242725402E-02 -7.17447746182E-01 -4.79481516207E-01
2.0620170E-01 -2.52140169248E-05 3.09347230972E-04 2.15319412683E-03 -2.78389160023E-02 6.98627210530E-01
7.8132498E-02 1.03908145827E-05 -1.26371483753E-04 -8.56767049869E-04 6.97406722207E-03 5.24533852689E-01
Sn s
1.0133249E+00 9.99939300298E-01
Sn s
7.8132498E-02 9.99995319293E-01
Sn p
1.7556411E+05 2.10362830958E-05 -9.73729880116E-06 4.07702742178E-06 -9.46260903264E-07
2.6360370E+04 3.15862677214E-04 -1.46333211855E-04 6.06818744168E-05 -1.41651941852E-05
6.1852424E+03 2.69005250086E-03 -1.25233744074E-03 5.24855302856E-04 -1.21845794333E-04
1.8905853E+03 1.54454677654E-02 -7.25235830399E-03 3.01589714334E-03 -7.04171425334E-04
6.8361664E+02 6.42766508832E-02 -3.09235554609E-02 1.30465869056E-02 -3.03105818935E-03
2.7617930E+02 1.92453392885E-01 -9.67300770701E-02 4.07013706988E-02 -9.52908871900E-03
1.1991829E+02 3.75330150623E-01 -2.02209900906E-01 8.77374746343E-02 -2.04051865315E-02
5.4568520E+01 3.81412790556E-01 -1.91234377002E-01 7.78583551017E-02 -1.84307608672E-02
2.4834700E+01 1.31528346458E-01 2.02599630308E-01 -1.17638581303E-01 2.96697961361E-02
1.1594392E+01 2.71498549587E-03 6.03258591120E-01 -4.03982925449E-01 9.84778860271E-02
5.5089234E+00 1.12773178773E-03 3.17289058950E-01 -8.65295342075E-02 1.91651151702E-02
2.3139102E+00 -1.81638351429E-03 2.61475473198E-02 6.62910786162E-01 -2.18647762938E-01
9.4612519E-01 -7.05828056015E-04 -1.70283860983E-05 4.84392576201E-01 -1.37607432624E-01
2.2149651E-01 -9.56221933340E-04 2.12935454675E-04 2.95448813089E-02 5.11170592426E-01
6.8160564E-02 -5.40418424436E-04 -1.97004030390E-05 -4.88577507348E-03 6.25791690637E-01
Sn p
9.4612519E-01 9.99905548263E-01
Sn p
6.8160564E-02 9.99993194499E-01
Sn d
7.5613441E+02 2.96501996710E-03 -1.11464498509E-03
2.1973777E+02 2.59373232261E-02 -9.64949919329E-03
8.2222517E+01 1.15423086402E-01 -4.43593766236E-02
3.4557054E+01 3.01488694548E-01 -1.14417229639E-01
1.5232025E+01 4.41484763955E-01 -1.64255686937E-01
6.8776607E+00 2.93840527360E-01 -2.19047881643E-03
2.8867910E+00 5.26273111866E-02 3.97360430244E-01
1.1623384E+00 -1.39911090776E-03 5.28318181986E-01
4.2174340E-01 9.45839960241E-04 2.28629570477E-01
1.8443076E-01 -4.03444880241E-04 1.05643327409E-02
Sn d
1.1623384E+00 9.99837568182E-01
Sn d
4.2174340E-01 9.99941052658E-01
Sn d
1.8443076E-01 9.99974220523E-01
Sn f
1.9659948E+00 9.99646879687E-01
Sn f
7.2704191E-01 9.99869362991E-01
end
basis "Sb_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Sb s
3.7139322E+07 3.36974821927E-06 -1.16038685445E-06 5.14217965919E-07 2.26703064727E-07 7.21646307116E-08
6.0704746E+06 3.10478642313E-05 -1.06835200519E-05 4.74449836183E-06 2.08884473790E-06 6.64596256649E-07
1.3412241E+06 1.73231384204E-04 -5.97040241459E-05 2.64490320050E-05 1.16639644987E-05 3.71327627229E-06
3.5130597E+05 7.94467134465E-04 -2.73735527116E-04 1.21661289826E-04 5.35463703995E-05 1.70344507775E-05
1.0467895E+05 3.12579816400E-03 -1.08169537433E-03 4.79156133316E-04 2.11419124207E-04 6.73178036924E-05
3.4502938E+04 1.08848963322E-02 -3.78422418355E-03 1.68551660455E-03 7.41687221701E-04 2.35919928362E-04
1.2348351E+04 3.37327749808E-02 -1.19461986772E-02 5.30478117318E-03 2.34371853405E-03 7.46524911586E-04
4.7303981E+03 9.18185177079E-02 -3.36644996647E-02 1.51353012911E-02 6.66590329365E-03 2.12037884972E-03
1.9174365E+03 2.08086929029E-01 -8.33433626367E-02 3.76338380255E-02 1.67114371771E-02 5.32912501135E-03
8.1445573E+02 3.47446716664E-01 -1.65572794457E-01 7.78796561355E-02 3.45229112664E-02 1.09906616361E-02
3.5873859E+02 3.27847460343E-01 -2.13115298704E-01 1.03456056369E-01 4.70474315225E-02 1.50870869590E-02
1.5959530E+02 1.03781604868E-01 2.29827997115E-02 -1.31610999764E-02 -7.67680435601E-03 -2.63174702744E-03
7.3751405E+01 3.83737522591E-04 5.49197450133E-01 -4.37967236982E-01 -2.14096180177E-01 -6.92976596821E-02
3.4589058E+01 1.91967770370E-03 5.07007151359E-01 -5.22261922886E-01 -2.89981006332E-01 -9.69608172680E-02
1.3594156E+01 -1.05178170786E-03 7.24027068776E-02 5.35155884160E-01 4.26946590538E-01 1.53868952633E-01
6.7788357E+00 5.62865298623E-04 -1.12670015724E-02 7.59232378653E-01 8.34779456750E-01 3.15848267544E-01
2.4248870E+00 -2.30036532545E-04 3.36846946791E-03 7.93824635149E-02 -6.79340518563E-01 -3.55493347328E-01
1.1196249E+00 1.06079569578E-04 -1.51528309786E-03 -1.09174864179E-02 -7.41828289411E-01 -5.30493033590E-01
2.4392169E-01 -2.66573113024E-05 3.55080465976E-04 2.31746754592E-03 -3.07094810470E-02 7.24358224954E-01
9.3738580E-02 1.07320778339E-05 -1.40297033647E-04 -9.04995589296E-04 7.14326918528E-03 5.23503037515E-01
Sb s
1.1196249E+00 9.99932933504E-01
Sb s
9.3738580E-02 9.99994384384E-01
Sb p
2.0066627E+05 1.86925463407E-05 -8.69787238127E-06 3.70449144458E-06 -9.51647011952E-07
2.9934203E+04 2.80466124966E-04 -1.30780297422E-04 5.51479362703E-05 -1.42570507694E-05
6.9502806E+03 2.41934737541E-03 -1.13210821799E-03 4.82635438075E-04 -1.24014478577E-04
2.1039777E+03 1.41034378369E-02 -6.66108587161E-03 2.81668601265E-03 -7.28324604804E-04
7.5541099E+02 5.96531083685E-02 -2.88014954244E-02 1.23574607624E-02 -3.17778511588E-03
3.0367606E+02 1.82286617654E-01 -9.19593982236E-02 3.93371649225E-02 -1.02002295211E-02
1.3145302E+02 3.66184898995E-01 -1.97418041485E-01 8.70767380628E-02 -2.24179898763E-02
5.9741391E+01 3.89765914775E-01 -2.02177643437E-01 8.45997778336E-02 -2.21993290118E-02
2.7362415E+01 1.45468908020E-01 1.70761487464E-01 -1.02502694868E-01 2.89631489698E-02
1.2773639E+01 5.32570943964E-03 5.97837854620E-01 -4.06357151800E-01 1.09912659098E-01
6.0915680E+00 8.80471153036E-04 3.45065019495E-01 -1.21753059912E-01 3.18929405062E-02
2.5522684E+00 -1.81706420586E-03 3.21871040353E-02 6.54825418799E-01 -2.44721196267E-01
1.0618502E+00 -7.44056184210E-04 -5.90355821635E-04 5.02066399740E-01 -1.59957366769E-01
2.6284350E-01 -9.79786877263E-04 3.45119833547E-04 3.22709797695E-02 5.47043845718E-01
8.2855312E-02 -6.01530420966E-04 -6.67083870416E-05 -4.86152916106E-03 5.97905988917E-01
Sb p
1.0618502E+00 9.99893997535E-01
Sb p
8.2855312E-02 9.99991727321E-01
Sb d
8.2274435E+02 2.76028404017E-03 -1.07750879763E-03
2.3862421E+02 2.44277227866E-02 -9.44376306114E-03
8.9320021E+01 1.10180654814E-01 -4.39638985368E-02
3.7599814E+01 2.93223929307E-01 -1.15865917718E-01
1.6630446E+01 4.39622958712E-01 -1.70492975752E-01
7.5470265E+00 3.03505674596E-01 -1.30287500192E-02
3.2057523E+00 5.80118608429E-02 3.95090420641E-01
1.3141999E+00 -1.38316646783E-03 5.34658668396E-01
4.8770339E-01 1.04082453098E-03 2.21247787049E-01
2.2123480E-01 -4.58327355129E-04 9.21211417714E-03
Sb d
1.3141999E+00 9.99816352894E-01
Sb d
4.8770339E-01 9.99931834470E-01
Sb d
2.2123480E-01 9.99969076378E-01
Sb f
2.2030279E+00 9.99604334222E-01
Sb f
8.8518077E-01 9.99840955924E-01
end
basis "Te_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Te s
3.7317280E+07 3.48162206890E-06 -1.20361441064E-06 5.35688134229E-07 2.39026645286E-07 7.96194393437E-08
6.2149644E+06 3.17456455365E-05 -1.09656354723E-05 4.89074038467E-06 2.17940983350E-06 7.25689037858E-07
1.3893377E+06 1.74987096500E-04 -6.05472311949E-05 2.69396517613E-05 1.20238556610E-05 4.00542752584E-06
3.6654660E+05 7.95999207818E-04 -2.75319698906E-04 1.22889963434E-04 5.47460283843E-05 1.82274610585E-05
1.0972341E+05 3.11338084345E-03 -1.08168484043E-03 4.81256660564E-04 2.14906551843E-04 7.15999284194E-05
3.6268603E+04 1.07986424101E-02 -3.76844235340E-03 1.68564228431E-03 7.50802762833E-04 2.49957835629E-04
1.3002736E+04 3.33749650509E-02 -1.18641810739E-02 5.29162180388E-03 2.36602701555E-03 7.88520229729E-04
4.9861643E+03 9.07311201837E-02 -3.33665399558E-02 1.50638962301E-02 6.71584942326E-03 2.23609637008E-03
2.0223146E+03 2.05759440358E-01 -8.25774905623E-02 3.74492123128E-02 1.68285657114E-02 5.61442667256E-03
8.5935647E+02 3.45077016294E-01 -1.64204155232E-01 7.75173062915E-02 3.47884659428E-02 1.15957555457E-02
3.7879619E+02 3.29222129604E-01 -2.13064771898E-01 1.03831876923E-01 4.77651464733E-02 1.60171003171E-02
1.6921220E+02 1.07181079817E-01 1.70770977939E-02 -1.01404666481E-02 -6.28876024256E-03 -2.25295526546E-03
7.7894761E+01 1.11815637308E-03 5.44364094348E-01 -4.34567353472E-01 -2.15341477212E-01 -7.30926981507E-02
3.6514229E+01 1.79317790263E-03 5.12985505512E-01 -5.31191758188E-01 -2.98566672381E-01 -1.04442400790E-01
1.4397038E+01 -1.01258370408E-03 7.51300857552E-02 5.24376059762E-01 4.25311535256E-01 1.60617641637E-01
7.2142155E+00 5.50994838675E-04 -1.18619594010E-02 7.67411661535E-01 8.56283854009E-01 3.42107662312E-01
2.6191775E+00 -2.32253031519E-04 3.63691910636E-03 8.40219278109E-02 -6.63718573397E-01 -3.69684084760E-01
1.2298459E+00 1.09498219363E-04 -1.66023333048E-03 -1.16227645418E-02 -7.63033945848E-01 -5.75776079185E-01
2.8314368E-01 -2.79965399457E-05 3.94753858255E-04 2.44259868936E-03 -3.33731963476E-02 7.44856496672E-01
1.0993922E-01 1.10209612069E-05 -1.51219131245E-04 -9.38729259728E-04 7.22649840627E-03 5.25500597721E-01
Te s
1.2298459E+00 9.99926332006E-01
Te s
1.0993922E-01 9.99993413860E-01
Te p
2.2700415E+05 1.68731245093E-05 -7.89160303901E-06 3.41546577240E-06 -9.46397289132E-07
3.3675937E+04 2.52583265559E-04 -1.18508938902E-04 5.07732657693E-05 -1.41630547090E-05
7.7445553E+03 2.20292027025E-03 -1.03605942425E-03 4.48843518648E-04 -1.24400745274E-04
2.3230247E+03 1.30201636505E-02 -6.18437440940E-03 2.65690405366E-03 -7.41267683029E-04
8.2838118E+02 5.58802063556E-02 -2.70814529618E-02 1.18052870071E-02 -3.27464481210E-03
3.3140183E+02 1.73812453275E-01 -8.80185824481E-02 3.82470712248E-02 -1.07014463372E-02
1.4301670E+02 3.58023085252E-01 -1.93269034342E-01 8.65786170879E-02 -2.40474667319E-02
6.4905819E+01 3.95986670706E-01 -2.10479831227E-01 9.01522211603E-02 -2.55345617728E-02
2.9863622E+01 1.57722398498E-01 1.45014634731E-01 -9.03163801365E-02 2.78540769106E-02
1.3926391E+01 7.91143343649E-03 5.92324014763E-01 -4.08796591329E-01 1.19613328399E-01
6.6553399E+00 6.15200295099E-04 3.67098799274E-01 -1.49541935966E-01 4.34534177986E-02
2.7883962E+00 -1.80820888655E-03 3.74198832783E-02 6.48304817546E-01 -2.66791242437E-01
1.1797399E+00 -7.86417620564E-04 -1.10912788544E-03 5.15080717590E-01 -1.79200235291E-01
3.0651489E-01 -1.00290932659E-03 4.65799845780E-04 3.46744123857E-02 5.72078430304E-01
9.8149645E-02 -6.64691737401E-04 -1.09362451832E-04 -4.70841935585E-03 5.80662740293E-01
Te p
1.1797399E+00 9.99882231220E-01
Te p
9.8149645E-02 9.99990200286E-01
Te d
8.9045304E+02 2.59233062652E-03 -1.04605815824E-03
2.5774269E+02 2.31804693630E-02 -9.27014798230E-03
9.6487271E+01 1.05814523772E-01 -4.36417208492E-02
4.0667485E+01 2.86204025811E-01 -1.17178942239E-01
1.8039816E+01 4.37812632043E-01 -1.76083761548E-01
8.2221940E+00 3.11430527074E-01 -2.22969026098E-02
3.5287484E+00 6.27332931193E-02 3.93644793151E-01
1.4688800E+00 -1.32241486649E-03 5.40007266708E-01
5.5474524E-01 1.10950398621E-03 2.14729849912E-01
2.5935413E-01 -5.03966943861E-04 8.22351010802E-03
Te d
1.4688800E+00 9.99794745447E-01
Te d
5.5474524E-01 9.99922465389E-01
Te d
2.5935413E-01 9.99963748492E-01
Te f
2.4400610E+00 9.99561794993E-01
Te f
1.0494999E+00 9.99811441617E-01
end
basis "I_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
I s
3.8827270E+07 3.48487272524E-06 -1.20948522606E-06 5.40550654760E-07 2.43968076368E-07 8.43357612401E-08
6.5322030E+06 3.15875226600E-05 -1.09528283613E-05 4.90520792437E-06 2.21111523975E-06 7.64155894664E-07
1.4690767E+06 1.72943291024E-04 -6.00773156509E-05 2.68427950818E-05 1.21181049044E-05 4.18924207361E-06
3.8884228E+05 7.83417879296E-04 -2.72000322956E-04 1.21907833589E-04 5.49372052485E-05 1.89851221370E-05
1.1658354E+05 3.05589525546E-03 -1.06592238483E-03 4.76244585963E-04 2.15104077239E-04 7.43689296793E-05
3.8555711E+04 1.05848968667E-02 -3.70730098871E-03 1.66505557803E-03 7.50239674439E-04 2.59259143378E-04
1.3820613E+04 3.27011515809E-02 -1.16664546632E-02 5.22533889197E-03 2.36306792418E-03 8.17198037520E-04
5.2970277E+03 8.89909831181E-02 -3.28079533259E-02 1.48698587785E-02 6.70652792314E-03 2.31800821962E-03
2.1469383E+03 2.02455362018E-01 -8.13442409853E-02 3.70374325104E-02 1.68322076920E-02 5.82665213722E-03
9.1174304E+02 3.42165792542E-01 -1.62277621634E-01 7.68505468882E-02 3.48935612422E-02 1.20764032617E-02
4.0189592E+02 3.31611889868E-01 -2.13317190886E-01 1.04297520202E-01 4.84995927084E-02 1.68664028412E-02
1.8029330E+02 1.11986700808E-01 8.84192046108E-03 -5.74816267652E-03 -4.20288377209E-03 -1.57530128424E-03
8.2464682E+01 2.13300067531E-03 5.38370351334E-01 -4.29585663840E-01 -2.15580034229E-01 -7.60867179930E-02
3.8596572E+01 1.61063729611E-03 5.20866984873E-01 -5.41754710918E-01 -3.07922033438E-01 -1.11752485044E-01
1.5243975E+01 -9.45635633234E-04 7.84210864437E-02 5.11607541775E-01 4.21575424761E-01 1.65401336094E-01
7.6733417E+00 5.22391175653E-04 -1.25883497261E-02 7.76836672984E-01 8.78320414345E-01 3.67231916144E-01
2.8196232E+00 -2.26712760944E-04 3.94902305394E-03 8.88794391905E-02 -6.49128136668E-01 -3.81568824843E-01
1.3448350E+00 1.09287890088E-04 -1.82624843375E-03 -1.24306251711E-02 -7.82558159368E-01 -6.16976076060E-01
3.2392157E-01 -2.82962075275E-05 4.37980630697E-04 2.57102424766E-03 -3.59672205987E-02 7.62021030079E-01
1.2679223E-01 1.09142930892E-05 -1.62783055650E-04 -9.75533117022E-04 7.28219285882E-03 5.28858583725E-01
I s
1.3448350E+00 9.99919445092E-01
I s
1.2679223E-01 9.99992404258E-01
I p
2.5437690E+05 1.54528758001E-05 -7.26373194244E-06 3.19141068251E-06 -9.38330639202E-07
3.7550013E+04 2.30559802962E-04 -1.08814325221E-04 4.73224729208E-05 -1.40104082215E-05
8.5598497E+03 2.03000718147E-03 -9.59509247100E-04 4.22001216120E-04 -1.24104507391E-04
2.5453153E+03 1.21499588565E-02 -5.80269317303E-03 2.53046755709E-03 -7.49298501836E-04
9.0167892E+02 5.28332311695E-02 -2.57055830444E-02 1.13740552612E-02 -3.34784945585E-03
3.5901989E+02 1.66884348513E-01 -8.48403941669E-02 3.74169592143E-02 -1.11119443935E-02
1.5445974E+02 3.51057115608E-01 -1.89868952897E-01 8.63107519713E-02 -2.54423342403E-02
6.9988166E+01 4.00603611451E-01 -2.16781784652E-01 9.47429629402E-02 -2.84897353690E-02
3.2296925E+01 1.68070585004E-01 1.24869553340E-01 -8.08660201712E-02 2.67847591911E-02
1.5039799E+01 1.02533180700E-02 5.87499378823E-01 -4.11918794911E-01 1.28250515007E-01
7.1982764E+00 3.64928102001E-04 3.83797552556E-01 -1.70705672312E-01 5.34952813444E-02
3.0206841E+00 -1.80112073588E-03 4.17326395356E-02 6.44120140022E-01 -2.86739468910E-01
1.2986469E+00 -8.29420664639E-04 -1.56449274290E-03 5.23717719745E-01 -1.94954134767E-01
3.5172841E-01 -1.02669170236E-03 5.69438985661E-04 3.66465343819E-02 5.91891630943E-01
1.1394397E-01 -7.27787083646E-04 -1.46061020996E-04 -4.46617264690E-03 5.68197468308E-01
I p
1.2986469E+00 9.99870363851E-01
I p
1.1394397E-01 9.99988623338E-01
I d
9.5973373E+02 2.45038080378E-03 -1.01838844693E-03
2.7722627E+02 2.21196456570E-02 -9.11665754792E-03
1.0377420E+02 1.02074579129E-01 -4.33584101149E-02
4.3781879E+01 2.80088578160E-01 -1.18351796230E-01
1.9470228E+01 4.36071354378E-01 -1.81151149013E-01
8.9080134E+00 3.18125690707E-01 -3.04400427333E-02
3.8577521E+00 6.69449589485E-02 3.92736446931E-01
1.6272114E+00 -1.23386818769E-03 5.44599116429E-01
6.2325440E-01 1.15801301219E-03 2.08973818548E-01
2.9852385E-01 -5.41602284304E-04 7.47110502028E-03
I d
1.6272114E+00 9.99772629608E-01
I d
6.2325440E-01 9.99912891562E-01
I d
2.9852385E-01 9.99958273895E-01
I f
2.6770940E+00 9.99519261998E-01
I f
1.2169350E+00 9.99781370721E-01
end
basis "Xe_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Xe s
3.9369255E+07 3.57162347422E-06 -1.24447018469E-06 5.58418881185E-07 2.54778882252E-07 9.08521726732E-08
6.7259123E+06 3.20927714825E-05 -1.11710143533E-05 5.02282014971E-06 2.28888443978E-06 8.16090767301E-07
1.5274181E+06 1.73904270016E-04 -6.06500926213E-05 2.72080728081E-05 1.24166896267E-05 4.42782111436E-06
4.0669722E+05 7.82300217216E-04 -2.72662620497E-04 1.22689014955E-04 5.58945760994E-05 1.99284771161E-05
1.2238988E+05 3.03619238150E-03 -1.06325997647E-03 4.76983690143E-04 2.17779549696E-04 7.76656132312E-05
4.0564311E+04 1.04818114926E-02 -3.68509989342E-03 1.66160483693E-03 7.56898272880E-04 2.69865986103E-04
1.4558064E+04 3.23129022199E-02 -1.15711593197E-02 5.20376132800E-03 2.37884322768E-03 8.48526321633E-04
5.5828788E+03 8.78654403756E-02 -3.24901324244E-02 1.47823757704E-02 6.74043934938E-03 2.40389440569E-03
2.2632845E+03 2.00102723561E-01 -8.05540560820E-02 3.68227584458E-02 1.69155504472E-02 6.03917746468E-03
9.6123174E+02 3.39758432057E-01 -1.60898104955E-01 7.64486664766E-02 3.50957230707E-02 1.25358548256E-02
4.2388885E+02 3.32925688995E-01 -2.13152345402E-01 1.04574026607E-01 4.91398424066E-02 1.76175511688E-02
1.9075928E+02 1.15530127833E-01 3.43206660723E-03 -2.96618500633E-03 -2.87627323722E-03 -1.11444045362E-03
8.6905544E+01 2.91247727346E-03 5.33577149643E-01 -4.26274759587E-01 -2.16520408153E-01 -7.89797081291E-02
4.0653718E+01 1.47563011000E-03 5.26250649243E-01 -5.49658061247E-01 -3.15988756158E-01 -1.18285507337E-01
1.6101346E+01 -8.97143206218E-04 8.10718219576E-02 5.01496414884E-01 4.19916991085E-01 1.70103790005E-01
8.1391630E+00 5.02274108704E-04 -1.31624613198E-02 7.84235092680E-01 8.98145379603E-01 3.90486135682E-01
3.0252064E+00 -2.23667771471E-04 4.21258438755E-03 9.32477304615E-02 -6.37498372347E-01 -3.92938569040E-01
1.4634190E+00 1.09883286144E-04 -1.97084240291E-03 -1.31432912345E-02 -7.99397764987E-01 -6.54082602332E-01
3.6632322E-01 -2.87167273052E-05 4.75370373491E-04 2.66808843836E-03 -3.83616673580E-02 7.77172046860E-01
1.4430153E-01 1.08624977170E-05 -1.71791933141E-04 -1.00168298861E-03 7.27644062392E-03 5.32684966016E-01
Xe s
1.4634190E+00 9.99912343045E-01
Xe s
1.4430153E-01 9.99991355344E-01
Xe p
2.8236520E+05 1.43527167183E-05 -6.77992235776E-06 3.02285765641E-06 -9.26173032157E-07
4.1505737E+04 2.13231949838E-04 -1.01202838434E-04 4.46596568844E-05 -1.37818538381E-05
9.3865139E+03 1.89246124205E-03 -8.98908414948E-04 4.01209254816E-04 -1.22953613380E-04
2.7683994E+03 1.14557339154E-02 -5.50015694375E-03 2.43380184018E-03 -7.51180979976E-04
9.7453264E+02 5.04005168242E-02 -2.46220175247E-02 1.10547340731E-02 -3.39090384774E-03
3.8624982E+02 1.61328472184E-01 -8.23438212661E-02 3.68472001343E-02 -1.14067942414E-02
1.6566630E+02 3.45346574394E-01 -1.87237508925E-01 8.63502507272E-02 -2.65306282867E-02
7.4935213E+01 4.04046833885E-01 -2.21608635534E-01 9.86344419444E-02 -3.09275289745E-02
3.4636866E+01 1.76476923019E-01 1.09641026594E-01 -7.38993011576E-02 2.58358457392E-02
1.6107703E+01 1.22160159587E-02 5.83818238939E-01 -4.16286810830E-01 1.35496175107E-01
7.7199186E+00 1.48290341847E-04 3.95817581177E-01 -1.86212991516E-01 6.14965780805E-02
3.2481060E+00 -1.80313672395E-03 4.50802515342E-02 6.43163587409E-01 -3.04498557768E-01
1.4177697E+00 -8.69138018152E-04 -1.96325893792E-03 5.28690599677E-01 -2.06217422806E-01
3.9822515E-01 -1.05285791580E-03 6.79370539477E-04 3.70507003953E-02 6.08778527306E-01
1.3020222E-01 -7.91675193673E-04 -1.52861745474E-04 -5.17020367465E-03 5.58176945722E-01
Xe p
1.4177697E+00 9.99858475443E-01
Xe p
1.3020222E-01 9.99987000081E-01
Xe d
1.0309027E+03 2.32779510253E-03 -9.93417522287E-04
2.9716166E+02 2.11982780369E-02 -8.97674856558E-03
1.1121289E+02 9.88051768368E-02 -4.30961625171E-02
4.6956827E+01 2.74662908938E-01 -1.19391560183E-01
2.0928002E+01 4.34403817024E-01 -1.85780374360E-01
9.6074677E+00 3.23907601386E-01 -3.77318654736E-02
4.1940016E+00 7.07503174484E-02 3.92193854032E-01
1.7897151E+00 -1.12937019863E-03 5.48594917583E-01
6.9347693E-01 1.19387554820E-03 2.03867567772E-01
3.3924233E-01 -5.74639609631E-04 6.87705949270E-03
Xe d
1.7897151E+00 9.99749932725E-01
Xe d
6.9347693E-01 9.99903078628E-01
Xe d
3.3924233E-01 9.99952582943E-01
Xe f
2.9141271E+00 9.99476735235E-01
Xe f
1.3844668E+00 9.99751285564E-01
end
basis "Tl_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Tl s
5.8033828E+07 5.90682869742E-06 -2.30966055705E-06 1.10886501910E-06 5.57758420973E-07 -2.47045054915E-07 -7.81664006235E-08
1.4702562E+07 4.06153550258E-05 -1.58895843092E-05 7.63541622123E-06 3.83624283605E-06 -1.70009530424E-06 -5.37865263338E-07
4.6355575E+06 1.50146460553E-04 -5.87562016941E-05 2.82084897785E-05 1.41922307887E-05 -6.28553980986E-06 -1.98881773362E-06
1.5852740E+06 5.05282886361E-04 -1.98023145017E-04 9.52047171678E-05 4.78221021003E-05 -2.11966100216E-05 -6.70588722259E-06
5.7924626E+05 1.53451130742E-03 -6.02086272331E-04 2.89129360340E-04 1.45526318175E-04 -6.44443609627E-05 -2.03915801794E-05
2.2187944E+05 4.40587799244E-03 -1.73544354646E-03 8.35287766811E-04 4.19526107632E-04 -1.85988585036E-04 -5.88393591070E-05
8.8730780E+04 1.18686308155E-02 -4.70021007467E-03 2.26024202779E-03 1.13852894669E-03 -5.04145174481E-04 -1.59530507598E-04
3.6848078E+04 3.00371048534E-02 -1.20536092274E-02 5.82294514467E-03 2.92567142132E-03 -1.29758488383E-03 -4.10502721353E-04
1.5843298E+04 7.02052780929E-02 -2.88402058611E-02 1.39561635048E-02 7.04608720915E-03 -3.12042903952E-03 -9.87548391842E-04
7.0310514E+03 1.46379859389E-01 -6.32515897243E-02 3.09988392715E-02 1.56140593149E-02 -6.93386473410E-03 -2.19375387005E-03
3.2121888E+03 2.53530129484E-01 -1.20050685637E-01 5.96259056449E-02 3.03568631976E-02 -1.34566928232E-02 -4.26063781658E-03
1.5070783E+03 3.14614663511E-01 -1.74383582326E-01 9.00725214750E-02 4.57716298785E-02 -2.04227295451E-02 -6.46300207537E-03
7.2301062E+02 2.14931480037E-01 -1.07843881765E-01 5.34699738226E-02 2.79290294547E-02 -1.22740918003E-02 -3.89408621692E-03
3.3980515E+02 4.78163923746E-02 2.45356458291E-01 -1.86529435300E-01 -1.07371308178E-01 4.86068070646E-02 1.54818210554E-02
1.7093901E+02 -1.89710334880E-03 5.58464202505E-01 -5.57089293014E-01 -3.31220200630E-01 1.54411150168E-01 4.92065767344E-02
8.8017323E+01 1.61145489341E-03 3.20983537366E-01 -3.16640629107E-01 -2.17439699039E-01 1.01959296008E-01 3.27940792658E-02
4.3016225E+01 -9.62214010381E-04 3.76969930342E-02 6.85859959755E-01 7.34293853693E-01 -3.87438850827E-01 -1.26926685755E-01
2.2609863E+01 5.20351813102E-04 -2.31654211799E-03 6.48618631071E-01 8.28252985902E-01 -4.78760234827E-01 -1.58669809334E-01
1.0266569E+01 -2.57159066344E-04 7.98592257179E-04 8.23848023244E-02 -7.17133598610E-01 6.14697353111E-01 2.17652160146E-01
5.2648225E+00 1.30492542427E-04 -4.89996367336E-04 -6.36889713367E-03 -8.17735421458E-01 9.18066943503E-01 3.56738781559E-01
1.8988944E+00 -4.80406773500E-05 1.85704301953E-04 1.80277487660E-03 -6.03097300902E-02 -8.15820872615E-01 -4.57333092320E-01
8.8461372E-01 2.12783430619E-05 -8.41723506856E-05 -7.88404840848E-04 8.98065399403E-03 -6.73620875736E-01 -4.48681700086E-01
2.0106574E-01 -5.66959334492E-06 2.97611933000E-05 1.49819471604E-04 -1.76119870578E-03 -2.64065597498E-02 6.83054431204E-01
7.3237091E-02 2.43641554748E-06 -1.61700640952E-05 -4.68234215649E-05 6.34588730224E-04 5.47680968105E-03 5.58146054770E-01
Tl s
8.8461372E-01 9.99947009590E-01
Tl s
7.3237091E-02 9.99995612561E-01
Tl p
1.3728265E+07 4.16106583988E-07 -2.15030350823E-07 1.07384075252E-07 -4.43634248151E-08 9.67237905582E-09
2.3572128E+06 3.83445895716E-06 -1.98520397843E-06 9.96586317151E-07 -4.09726058502E-07 8.92813482227E-08
5.2356678E+05 2.63776951926E-05 -1.36936344965E-05 6.84013023470E-06 -2.82894351260E-06 6.16863899881E-07
1.3629076E+05 1.62096936712E-04 -8.44279305022E-05 4.24533667860E-05 -1.74548934846E-05 3.80356304859E-06
4.0148089E+04 9.08215795664E-04 -4.74914918895E-04 2.37687226111E-04 -9.83151887394E-05 2.14385753477E-05
1.3182021E+04 4.51717458037E-03 -2.37592448736E-03 1.19699323502E-03 -4.92614656453E-04 1.07357746466E-04
4.7879862E+03 1.91965816071E-02 -1.02081586765E-02 5.13103418087E-03 -2.12375541236E-03 4.63150439494E-04
1.9028441E+03 6.71414307385E-02 -3.65232583374E-02 1.85535885590E-02 -7.64938539079E-03 1.66748409518E-03
8.1502288E+02 1.82378751460E-01 -1.03318225591E-01 5.27160860910E-02 -2.19124838848E-02 4.78144518202E-03
3.6967602E+02 3.44281753329E-01 -2.06368847941E-01 1.07774503598E-01 -4.45980405555E-02 9.72726524798E-03
1.7504377E+02 3.63406207814E-01 -1.97989981046E-01 9.75503657273E-02 -4.07671534623E-02 8.90007243622E-03
8.4456267E+01 1.46996983678E-01 1.80270781765E-01 -1.47652444190E-01 6.93718423311E-02 -1.53832187390E-02
4.2043229E+01 6.74841226022E-03 5.92138269236E-01 -5.01836462715E-01 2.28037141426E-01 -5.03849594128E-02
2.1172075E+01 -1.16598501984E-03 3.34916199524E-01 -1.00875729120E-01 3.00977972404E-02 -6.12720828886E-03
1.0107599E+01 -3.37435414416E-03 3.69302230227E-02 6.82435125863E-01 -4.75550964435E-01 1.11411104415E-01
4.9031493E+00 -1.91105463999E-03 1.45204628769E-04 4.75664933021E-01 -2.71921746603E-01 6.13599716019E-02
1.9632888E+00 -2.11989309851E-03 1.33857818819E-04 4.07700837316E-02 6.75554702936E-01 -2.04444488417E-01
8.0549699E-01 -1.87762811700E-03 2.54398271557E-06 -2.81053798987E-03 5.36475042331E-01 -1.60549995824E-01
2.0049629E-01 -1.87380610065E-03 7.03077430018E-05 2.53404568189E-04 3.72713900810E-02 4.02262479275E-01
5.5927884E-02 -1.30183104042E-03 4.55290609163E-05 -4.05094719575E-04 -4.70581079511E-03 7.38304607439E-01
Tl p
8.0549699E-01 9.99919585241E-01
Tl p
5.5927884E-02 9.99994415861E-01
Tl d
7.8021591E+03 2.93633318048E-04 -1.53520638573E-04 5.00632800160E-05
2.0396979E+03 3.42338596255E-03 -1.81035845270E-03 5.97484532537E-04
7.3049097E+02 2.16388852434E-02 -1.14792521674E-02 3.76105207381E-03
3.0516736E+02 8.83917522109E-02 -4.79420682412E-02 1.58882392004E-02
1.3964975E+02 2.39105444973E-01 -1.31091673445E-01 4.31752718101E-02
6.7292643E+01 3.96759225386E-01 -2.11879705718E-01 7.03363369588E-02
3.3520599E+01 3.36605323182E-01 -8.59768901812E-02 1.86981334181E-02
1.6568385E+01 1.07466851687E-01 3.25507882851E-01 -1.35657762310E-01
8.0815299E+00 6.60153779377E-03 5.32578129572E-01 -2.24320005354E-01
3.8806549E+00 8.32937395715E-04 2.58702348460E-01 2.47653639079E-02
1.6956350E+00 -4.19091637798E-04 2.81025415455E-02 4.46662827439E-01
6.9524060E-01 7.02193807568E-05 -3.83516391953E-04 5.04621213381E-01
2.5357650E-01 -1.17581442554E-04 3.33401004355E-04 2.01939487368E-01
1.5026778E-01 2.37706550260E-05 -1.82383922545E-04 7.02487878061E-03
Tl d
6.9524060E-01 9.99902832177E-01
Tl d
2.5357650E-01 9.99964556017E-01
Tl d
1.5026778E-01 9.99978995604E-01
Tl f
4.8999559E+02 1.86218390713E-03
1.6633197E+02 1.66726283453E-02
6.9980085E+01 7.41719584480E-02
3.2175090E+01 2.03680923637E-01
1.5417577E+01 3.46212360293E-01
7.3699578E+00 3.77565056984E-01
3.4086613E+00 2.40413541520E-01
1.4138469E+00 6.36518042037E-02
Tl f
1.4138469E+00 9.99746009852E-01
Tl f
4.5262943E-01 9.99918663320E-01
end
basis "Pb_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Pb s
5.7879047E+07 6.21380765352E-06 -2.44142070677E-06 1.17398663288E-06 5.92384519099E-07 -2.65676827739E-07 -8.92593731068E-08
1.4727786E+07 4.24957328820E-05 -1.67050034917E-05 8.03982508000E-06 4.05245300747E-06 -1.81838663824E-06 -6.10859055215E-07
4.6698079E+06 1.55593856943E-04 -6.11830849947E-05 2.94203874044E-05 1.48488092273E-05 -6.65894576479E-06 -2.23725120335E-06
1.6059372E+06 5.19314726032E-04 -2.04504220033E-04 9.84754055416E-05 4.96248774266E-05 -2.22707736816E-05 -7.48133273283E-06
5.8984778E+05 1.56449503561E-03 -6.16847018432E-04 2.96691267933E-04 1.49804407639E-04 -6.71728052166E-05 -2.25692558680E-05
2.2691267E+05 4.46222094237E-03 -1.76613368316E-03 8.51402371168E-04 4.29006788552E-04 -1.92568915997E-04 -6.46876158421E-05
9.1063105E+04 1.19489179830E-02 -4.75499477575E-03 2.29025762670E-03 1.15728406317E-03 -5.18898540321E-04 -1.74353087675E-04
3.7920869E+04 3.00905445164E-02 -1.21314436193E-02 5.86974317586E-03 2.95879929167E-03 -1.32866488101E-03 -4.46322590124E-04
1.6339134E+04 7.00391206878E-02 -2.88987466278E-02 1.40064457488E-02 7.09358872868E-03 -3.18106522412E-03 -1.06900208407E-03
7.2625289E+03 1.45607601627E-01 -6.31361554691E-02 3.09868129513E-02 1.56590724281E-02 -7.04052837344E-03 -2.36522206685E-03
3.3216985E+03 2.51909726859E-01 -1.19486807108E-01 5.94199554986E-02 3.03433701564E-02 -1.36209170601E-02 -4.57945017022E-03
1.5596475E+03 3.13323069659E-01 -1.73196632298E-01 8.95070823301E-02 4.56301194811E-02 -2.06109471090E-02 -6.92584868411E-03
7.4863789E+02 2.15758902489E-01 -1.07362672273E-01 5.31051134936E-02 2.77748333088E-02 -1.23646673599E-02 -4.16581057137E-03
3.5261328E+02 4.89352620257E-02 2.42044226773E-01 -1.84505199015E-01 -1.06550321272E-01 4.88822590686E-02 1.65383244243E-02
1.7750467E+02 -1.79256364058E-03 5.56187558937E-01 -5.53968986646E-01 -3.30552034466E-01 1.56033857500E-01 5.28165398396E-02
9.1463274E+01 1.61292592920E-03 3.24383475959E-01 -3.21961130375E-01 -2.21059698712E-01 1.05150571757E-01 3.59370825963E-02
4.4710172E+01 -9.68442625509E-04 3.89823025599E-02 6.78548367999E-01 7.28391450053E-01 -3.90025329759E-01 -1.35905535373E-01
2.3527288E+01 5.29187810823E-04 -2.45807110268E-03 6.54145265951E-01 8.39822823658E-01 -4.92273080432E-01 -1.73651883624E-01
1.0721457E+01 -2.66446437623E-04 8.71454155936E-04 8.50537253681E-02 -7.05305511951E-01 6.14818987738E-01 2.32361855005E-01
5.5271506E+00 1.37806838125E-04 -5.31351552583E-04 -6.68577130724E-03 -8.28696330566E-01 9.47692520805E-01 3.94301270316E-01
2.0274627E+00 -5.25775441115E-05 2.06410573182E-04 1.93919477151E-03 -6.41514331239E-02 -8.05297081700E-01 -4.88100977999E-01
9.6204098E-01 2.38950784403E-05 -9.51326411740E-05 -8.64111449404E-04 9.62611740151E-03 -6.95436864395E-01 -5.00883819198E-01
2.3294403E-01 -6.53441994881E-06 3.33190760869E-05 1.69738488156E-04 -1.90063181531E-03 -2.82332013672E-02 7.28472302883E-01
8.6859886E-02 2.76006004329E-06 -1.74171179143E-05 -5.18299554889E-05 6.72562098118E-04 5.53560921799E-03 5.42051616124E-01
Pb s
9.6204098E-01 9.99942371978E-01
Pb s
8.6859886E-02 9.99994796463E-01
Pb p
1.4431585E+07 4.11737116888E-07 -2.13300149899E-07 1.06944605295E-07 -4.49689519695E-08 1.12400200320E-08
2.5074331E+06 3.74981707869E-06 -1.94537578660E-06 9.80709775623E-07 -4.10448104856E-07 1.02792175949E-07
5.6044425E+05 2.54620393834E-05 -1.32518754081E-05 6.64566155011E-06 -2.79738857560E-06 6.99004866946E-07
1.4637279E+05 1.54742277506E-04 -8.07641077707E-05 4.07841766693E-05 -1.70700431586E-05 4.27567010888E-06
4.3157909E+04 8.60647593876E-04 -4.51202059353E-04 2.26715692994E-04 -9.54479998509E-05 2.38539570492E-05
1.4152440E+04 4.27375247911E-03 -2.25252048851E-03 1.13963820543E-03 -4.77436788658E-04 1.19577432280E-04
5.1258744E+03 1.82194926747E-02 -9.70978087779E-03 4.89965053010E-03 -2.06410500883E-03 5.15978926102E-04
2.0302193E+03 6.41771913055E-02 -3.49474235133E-02 1.78244121733E-02 -7.48074647085E-03 1.87415778288E-03
8.6682091E+02 1.76279344974E-01 -9.99205865240E-02 5.11636531421E-02 -2.16439859665E-02 5.41204240705E-03
3.9214842E+02 3.38673156875E-01 -2.02867713545E-01 1.06337158081E-01 -4.48005274964E-02 1.12427266107E-02
1.8535635E+02 3.67589024265E-01 -2.04110948381E-01 1.01663276125E-01 -4.32552557656E-02 1.07639589087E-02
8.9519283E+01 1.55725588960E-01 1.60365742791E-01 -1.34246538833E-01 6.45244132544E-02 -1.62546269253E-02
4.4485764E+01 8.82209426703E-03 5.87970722722E-01 -5.00065749345E-01 2.31767726479E-01 -5.93156300157E-02
2.2422844E+01 -1.37866021360E-03 3.51404642984E-01 -1.28419400753E-01 4.49947305988E-02 -9.88580043564E-03
1.0675176E+01 -3.41092887390E-03 4.16056290470E-02 6.73948463246E-01 -4.80208685979E-01 1.27972763001E-01
5.1917731E+00 -1.99747714520E-03 -2.41611764260E-04 4.91678620469E-01 -2.93591246955E-01 7.99683890970E-02
2.0908307E+00 -2.15231896728E-03 2.62947161507E-04 4.41656478297E-02 6.78103620163E-01 -2.47753444231E-01
8.7171799E-01 -1.95041699351E-03 -4.62196181462E-05 -3.16323685459E-03 5.41602768422E-01 -1.75982342772E-01
2.1674529E-01 -1.91352522116E-03 8.24640511058E-05 3.11300237322E-04 3.57466039276E-02 5.00570503213E-01
6.5825419E-02 -1.30403913545E-03 4.04876624002E-05 -4.45883550075E-04 -4.91977040951E-03 6.48012000730E-01
Pb p
8.7171799E-01 9.99912975225E-01
Pb p
6.5825419E-02 9.99993427650E-01
Pb d
8.4906900E+03 2.63483177865E-04 -1.38736869813E-04 4.73260421891E-05
2.2089035E+03 3.10070562989E-03 -1.64972569774E-03 5.69699396976E-04
7.8849257E+02 1.98334821842E-02 -1.05901744806E-02 3.62984272015E-03
3.2885432E+02 8.22522761923E-02 -4.48468240024E-02 1.55491659766E-02
1.5038962E+02 2.27440301275E-01 -1.25571745995E-01 4.32793531001E-02
7.2513235E+01 3.89501251716E-01 -2.10479890031E-01 7.31794372064E-02
3.6180561E+01 3.48018574655E-01 -1.05009686771E-01 2.70500885129E-02
1.7976202E+01 1.20299129018E-01 2.97390355747E-01 -1.31457968970E-01
8.8200864E+00 8.82304179955E-03 5.34857572961E-01 -2.37872861143E-01
4.2720364E+00 8.50123329278E-04 2.82218849869E-01 4.93921458065E-04
1.8890617E+00 -4.28744595353E-04 3.47573340885E-02 4.45559750869E-01
7.9200114E-01 7.05742879275E-05 -7.22563957468E-04 5.15609813592E-01
2.9683292E-01 -1.23189096776E-04 5.54628243618E-04 1.94512274426E-01
1.7545993E-01 2.09019615480E-05 -3.01601335740E-04 6.08872291081E-03
Pb d
7.9200114E-01 9.99889311364E-01
Pb d
2.9683292E-01 9.99958510226E-01
Pb d
1.7545993E-01 9.99975474400E-01
Pb f
5.2013845E+02 1.76463534410E-03
1.7651009E+02 1.59452292952E-02
7.4343014E+01 7.18004584475E-02
3.4240742E+01 1.99628662012E-01
1.6461026E+01 3.44113308100E-01
7.9077033E+00 3.79351243358E-01
3.6843352E+00 2.42633268501E-01
1.5478311E+00 6.34892110902E-02
Pb f
1.5478311E+00 9.99721951817E-01
Pb f
5.6040871E-01 9.99899298939E-01
end
basis "Bi_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Bi s
5.8022684E+07 6.50381333232E-06 -2.56781788542E-06 1.23668741440E-06 6.25968922597E-07 -2.84164582844E-07 -9.99587081601E-08
1.4819799E+07 4.42601738708E-05 -1.74829203960E-05 8.42713529256E-06 4.26114922501E-06 -1.93529540669E-06 -6.80681786791E-07
4.7223874E+06 1.60623903413E-04 -6.34700994096E-05 3.05676609582E-05 1.54759366721E-05 -7.02488982186E-06 -2.47116245620E-06
1.6321833E+06 5.31973277180E-04 -2.10509069401E-04 1.01523198254E-04 5.13234250067E-05 -2.33131855363E-05 -8.19944909482E-06
6.0232740E+05 1.59048570701E-03 -6.30180435875E-04 3.03578136142E-04 1.53758830787E-04 -6.97879384251E-05 -2.45504497165E-05
2.3262600E+05 4.50785838821E-03 -1.79288178618E-03 8.65633521101E-04 4.37568841772E-04 -1.98799882110E-04 -6.99178213411E-05
9.3657019E+04 1.20029451906E-02 -4.79979508086E-03 2.31545396308E-03 1.17364752974E-03 -5.32666899114E-04 -1.87396636518E-04
3.9098920E+04 3.00854776460E-02 -1.21860090062E-02 5.90516559362E-03 2.98618878773E-03 -1.35725418753E-03 -4.77340536184E-04
1.6878840E+04 6.97593826948E-02 -2.89088447140E-02 1.40325782436E-02 7.12869928804E-03 -3.23593249745E-03 -1.13859902190E-03
7.5127674E+03 1.44660365014E-01 -6.29355632638E-02 3.09309280665E-02 1.56809533495E-02 -7.13588065374E-03 -2.50982301630E-03
3.4393803E+03 2.50129218446E-01 -1.18816989009E-01 5.91549218860E-02 3.02974995298E-02 -1.37672374159E-02 -4.84659770977E-03
1.6158149E+03 3.12081276718E-01 -1.71989389379E-01 8.89201786249E-02 4.54723982697E-02 -2.07867591850E-02 -7.31253646368E-03
7.7585154E+02 2.16876836114E-01 -1.07136371932E-01 5.28804925763E-02 2.76928214841E-02 -1.24821874303E-02 -4.40502564748E-03
3.6612190E+02 5.02238772832E-02 2.38309958437E-01 -1.82123566413E-01 -1.05513496256E-01 4.90326483987E-02 1.73792139770E-02
1.8440048E+02 -1.68606782629E-03 5.53906056277E-01 -5.50682239830E-01 -3.29715616538E-01 1.57547299324E-01 5.58436524896E-02
9.5065117E+01 1.62093806981E-03 3.28114409217E-01 -3.27676770695E-01 -2.24964860399E-01 1.08476790520E-01 3.88625809214E-02
4.6466268E+01 -9.78843576364E-04 4.03648462313E-02 6.70935696078E-01 7.22121538723E-01 -3.92191780025E-01 -1.43361451007E-01
2.4477290E+01 5.40655400256E-04 -2.61481004025E-03 6.59831420992E-01 8.51422972824E-01 -5.06017892124E-01 -1.87241062592E-01
1.1190161E+01 -2.77172927521E-04 9.51603862727E-04 8.77827112097E-02 -6.93618732389E-01 6.15029688722E-01 2.44420165705E-01
5.7978488E+00 1.45938931406E-04 -5.76730192367E-04 -7.01815424156E-03 -8.39337626177E-01 9.76720011016E-01 4.29091646734E-01
2.1587077E+00 -5.75378586337E-05 2.29199222974E-04 2.07981890753E-03 -6.79670215738E-02 -7.96943518647E-01 -5.15010632018E-01
1.0422614E+00 2.67575165111E-05 -1.07194437752E-04 -9.42213731036E-04 1.02903366635E-02 -7.14996296790E-01 -5.46841731630E-01
2.6590866E-01 -7.42928685507E-06 3.68976302133E-05 1.89324039443E-04 -2.02321265392E-03 -2.98743803663E-02 7.62736197540E-01
1.0073440E-01 3.07940581010E-06 -1.85668598908E-05 -5.61927326746E-05 7.03055959604E-04 5.51900698439E-03 5.34576411978E-01
Bi s
1.0422614E+00 9.99937567147E-01
Bi s
1.0073440E-01 9.99993965288E-01
Bi p
1.5267851E+07 4.03528052066E-07 -2.09569983082E-07 1.05485951046E-07 -4.51132899723E-08 1.24086405329E-08
2.6863694E+06 3.63022985380E-06 -1.88700617897E-06 9.55247101709E-07 -4.06735252719E-07 1.12153418178E-07
6.0456060E+05 2.43105508778E-05 -1.26850143041E-05 6.38609313780E-06 -2.73389836296E-06 7.51690057782E-07
1.5848335E+05 1.45985540719E-04 -7.63411359331E-05 3.87130444486E-05 -1.64846745550E-05 4.54640173976E-06
4.6785870E+04 8.05279033130E-04 -4.23265427418E-04 2.13505503378E-04 -9.14207344626E-05 2.51406394509E-05
1.5325077E+04 3.99086707589E-03 -2.10743269843E-03 1.07069533468E-03 -4.56336451289E-04 1.25840380918E-04
5.5345524E+03 1.70710826286E-02 -9.11697390966E-03 4.61809994881E-03 -1.97868915799E-03 5.44295231611E-04
2.1842431E+03 6.06226417912E-02 -3.30353895223E-02 1.69150194946E-02 -7.22214864509E-03 1.99219425367E-03
9.2942393E+02 1.68719876549E-01 -9.56531047083E-02 4.91439145361E-02 -2.11414270976E-02 5.81705473223E-03
4.1932007E+02 3.31143946696E-01 -1.98075497005E-01 1.04182614121E-01 -4.46622293769E-02 1.23432389148E-02
1.9785121E+02 3.72139150626E-01 -2.11047217314E-01 1.06350070869E-01 -4.60293456433E-02 1.25994226465E-02
9.5696786E+01 1.67296515158E-01 1.34480438541E-01 -1.16577734751E-01 5.74049426124E-02 -1.58872292364E-02
4.7435630E+01 1.19575736655E-02 5.80563984179E-01 -4.94981350594E-01 2.33893502287E-01 -6.60642512518E-02
2.3929631E+01 -1.67687300519E-03 3.73351418427E-01 -1.64806975634E-01 6.50290927175E-02 -1.63423964152E-02
1.1351604E+01 -3.41987200217E-03 4.83676071356E-02 6.58966461673E-01 -4.79087256665E-01 1.40798780208E-01
5.5346123E+00 -2.09712373609E-03 -7.79831285538E-04 5.14557944355E-01 -3.23750607998E-01 9.86059062865E-02
2.2410872E+00 -2.20305341145E-03 4.67253526428E-04 4.95411068793E-02 6.71896049298E-01 -2.77774667145E-01
9.5317500E-01 -1.97573756089E-03 -1.27535904697E-04 -3.77589807954E-03 5.53632802971E-01 -1.99169483310E-01
2.4829310E-01 -1.92924156044E-03 1.02228029474E-04 4.44188310043E-04 3.73495515091E-02 5.47177939208E-01
7.7915822E-02 -1.39854876473E-03 3.59042549961E-05 -5.14441695052E-04 -4.71097381901E-03 6.10669412219E-01
Bi p
9.5317500E-01 9.99904844596E-01
Bi p
7.7915822E-02 9.99992220497E-01
Bi d
9.1556731E+03 2.40804328836E-04 -1.27677129672E-04 4.52938453597E-05
2.3714380E+03 2.85632315485E-03 -1.52886040996E-03 5.49049813831E-04
8.4391026E+02 1.84532404624E-02 -9.91689244903E-03 3.53498331580E-03
3.5138597E+02 7.74982636526E-02 -4.24816780792E-02 1.53163278214E-02
1.6056662E+02 2.18143958538E-01 -1.21251122746E-01 4.34734940803E-02
7.7448462E+01 3.83100389947E-01 -2.09108638925E-01 7.56522476573E-02
3.8688714E+01 3.56443328823E-01 -1.19360824073E-01 3.40095003308E-02
1.9301217E+01 1.31088843444E-01 2.74776227895E-01 -1.28112974213E-01
9.5137428E+00 1.09718995402E-02 5.35398189858E-01 -2.49398036451E-01
4.6382853E+00 8.44741492245E-04 3.00532934120E-01 -1.90254151586E-02
2.0735526E+00 -4.28501156348E-04 4.04269374825E-02 4.45930919300E-01
8.8573771E-01 6.59050974271E-05 -9.58194390002E-04 5.23941995237E-01
3.3861777E-01 -1.26428106171E-04 7.16789621617E-04 1.87617078194E-01
2.0223207E-01 1.78501572042E-05 -3.94839620077E-04 5.40924458624E-03
Bi d
8.8573771E-01 9.99876213704E-01
Bi d
3.3861777E-01 9.99952670233E-01
Bi d
2.0223207E-01 9.99971732402E-01
Bi f
5.5102305E+02 1.67703192693E-03
1.8692436E+02 1.52851416604E-02
7.8801541E+01 6.96221109511E-02
3.6351986E+01 1.95841056832E-01
1.7527887E+01 3.42070943180E-01
8.4583618E+00 3.81005388627E-01
3.9675228E+00 2.44748529786E-01
1.6865442E+00 6.34095758616E-02
Bi f
1.6865442E+00 9.99697046773E-01
Bi f
6.6730197E-01 9.99880095023E-01
end
basis "Po_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Po s
5.8309927E+07 6.79180928742E-06 -2.69471632889E-06 1.29978190393E-06 6.59922636760E-07 -3.03103262313E-07 -1.10622887001E-07
1.4943068E+07 4.60072403257E-05 -1.82619923846E-05 8.81587942075E-06 4.47160648443E-06 -2.05472588584E-06 -7.49795905145E-07
4.7831618E+06 1.65581925764E-04 -6.57524189335E-05 3.17152144186E-05 1.61061309708E-05 -7.39699157988E-06 -2.69974814489E-06
1.6607700E+06 5.44412401082E-04 -2.16490792658E-04 1.04565361721E-04 5.30264523986E-05 -2.43695317726E-05 -8.89239736670E-06
6.1553104E+05 1.61603173486E-03 -6.43480488129E-04 3.10460517969E-04 1.57725932668E-04 -7.24313261063E-05 -2.64372112488E-05
2.3857506E+05 4.55317839934E-03 -1.81980443328E-03 8.79959199323E-04 4.46203884066E-04 -2.05102220384E-04 -7.48388575502E-05
9.6330174E+04 1.20591793816E-02 -4.84598684199E-03 2.34132705588E-03 1.19038407104E-03 -5.46626887521E-04 -1.99531679115E-04
4.0303817E+04 3.00935625935E-02 -1.22467007659E-02 5.94342968639E-03 3.01499111200E-03 -1.38642090862E-03 -5.05874450786E-04
1.7427602E+04 6.95247071835E-02 -2.89383955212E-02 1.40678252774E-02 7.16824390667E-03 -3.29224840900E-03 -1.20195160256E-03
7.7659998E+03 1.43819730934E-01 -6.27839945220E-02 3.08978445467E-02 1.57134700051E-02 -7.23448423633E-03 -2.63982947010E-03
3.5580285E+03 2.48498113757E-01 -1.18228544980E-01 5.89289071723E-02 3.02698409006E-02 -1.39171325533E-02 -5.08376240107E-03
1.6722965E+03 3.10849581339E-01 -1.70820838726E-01 8.83499751328E-02 4.53183960423E-02 -2.09577191385E-02 -7.64827359633E-03
8.0318911E+02 2.17759338659E-01 -1.06627759632E-01 5.24892163309E-02 2.75222353065E-02 -1.25512467593E-02 -4.59846292301E-03
3.7969490E+02 5.13848789529E-02 2.35318006242E-01 -1.80335690387E-01 -1.04814418474E-01 4.93111736507E-02 1.81465098718E-02
1.9131746E+02 -1.57333985917E-03 5.51731141383E-01 -5.47744137174E-01 -3.29083875098E-01 1.59128179805E-01 5.85237722824E-02
9.8676878E+01 1.62387781557E-03 3.31109042598E-01 -3.32138021077E-01 -2.28091508560E-01 1.11398581617E-01 4.14654245815E-02
4.8245567E+01 -9.86464491761E-04 4.15600863287E-02 6.64160971720E-01 7.16952715909E-01 -3.94726555914E-01 -1.50009312251E-01
2.5440911E+01 5.50236128411E-04 -2.74061446300E-03 6.64648159485E-01 8.61654634136E-01 -5.19160048494E-01 -1.99631568718E-01
1.1667246E+01 -2.86869170069E-04 1.02041344131E-03 9.02979586281E-02 -6.83189116991E-01 6.16314290055E-01 2.55086243903E-01
6.0742840E+00 1.53570990185E-04 -6.17387113444E-04 -7.33120927152E-03 -8.48843327987E-01 1.00430495778E+00 4.61620109651E-01
2.2923081E+00 -6.23876576988E-05 2.50870390430E-04 2.21408491305E-03 -7.16024209724E-02 -7.91149478237E-01 -5.40004904969E-01
1.1247044E+00 2.96063124102E-05 -1.18894349094E-04 -1.01790053932E-03 1.09359255209E-02 -7.32075609997E-01 -5.87658536590E-01
2.9979416E-01 -8.29643782993E-06 4.02126783871E-05 2.07852269427E-04 -2.12794840087E-03 -3.13173141830E-02 7.91208060395E-01
1.1492650E-01 3.37736069740E-06 -1.95650815693E-05 -5.98581921819E-05 7.27417027746E-04 5.45217136984E-03 5.30833009241E-01
Po s
1.1247044E+00 9.99932629269E-01
Po s
1.1492650E-01 9.99993115090E-01
Po p
1.6094731E+07 3.97541322193E-07 -2.06963224835E-07 1.04579986978E-07 -4.54552996579E-08 1.34334962038E-08
2.8651675E+06 3.53640127544E-06 -1.84186963786E-06 9.36174308477E-07 -4.05194039987E-07 1.20075897030E-07
6.4891394E+05 2.33798300322E-05 -1.22296828782E-05 6.18077052717E-06 -2.68905310090E-06 7.94375896119E-07
1.7070019E+05 1.38821325791E-04 -7.27375968006E-05 3.70365909981E-05 -1.60311678286E-05 4.75178921235E-06
5.0450487E+04 7.59663702534E-04 -4.00296107572E-04 2.02703647048E-04 -8.82109157353E-05 2.60631032893E-05
1.6508642E+04 3.75614803341E-03 -1.98737846445E-03 1.01382305448E-03 -4.39224190393E-04 1.30172847164E-04
5.9457148E+03 1.61115226564E-02 -8.62288724562E-03 4.38455779344E-03 -1.90925182320E-03 5.64292058929E-04
2.3384165E+03 5.76254484679E-02 -3.14318280749E-02 1.61557937665E-02 -7.01167826438E-03 2.07867751218E-03
9.9171977E+02 1.62240818018E-01 -9.20191113721E-02 4.74402271551E-02 -2.07390845639E-02 6.13120412292E-03
4.4620759E+02 3.24361659585E-01 -1.93816407819E-01 1.02286535566E-01 -4.45778025606E-02 1.32418506902E-02
2.1014718E+02 3.75529498148E-01 -2.16295536967E-01 1.10030711412E-01 -4.84078311373E-02 1.42392166775E-02
1.0171539E+02 1.77503071821E-01 1.12950183226E-01 -1.02092547426E-01 5.15334285758E-02 -1.53154837549E-02
5.0283133E+01 1.49441341671E-02 5.73192311941E-01 -4.89951222531E-01 2.35750809410E-01 -7.16777600415E-02
2.5367947E+01 -1.96543122520E-03 3.91582121628E-01 -1.94214465992E-01 8.19354615091E-02 -2.26097232465E-02
1.2001454E+01 -3.42582954000E-03 5.43537859920E-02 6.45569153969E-01 -4.79234335811E-01 1.51846448102E-01
5.8677985E+00 -2.19444763724E-03 -1.26048988547E-03 5.32898162326E-01 -3.49200751927E-01 1.15435763385E-01
2.3899504E+00 -2.25169719412E-03 6.59285494543E-04 5.43466017702E-02 6.67711305632E-01 -3.03699176312E-01
1.0360252E+00 -1.99780983775E-03 -2.08657860902E-04 -4.36508344696E-03 5.62670083057E-01 -2.19664043574E-01
2.8231375E-01 -1.94549394714E-03 1.22800086882E-04 5.69629175859E-04 3.89211837872E-02 5.79544125581E-01
9.0411358E-02 -1.50233762908E-03 3.15135140136E-05 -5.80082757522E-04 -4.36349148403E-03 5.87567104258E-01
Po p
1.0360252E+00 9.99896575141E-01
Po p
9.0411358E-02 9.99990972900E-01
Po d
9.8151605E+03 2.22628671400E-04 -1.18840884348E-04 4.36414556274E-05
2.5318633E+03 2.65919916642E-03 -1.43179801383E-03 5.32197240652E-04
8.9834951E+02 1.73308789761E-02 -9.37294349918E-03 3.45854501935E-03
3.7343320E+02 7.35901940890E-02 -4.05570272154E-02 1.51337564242E-02
1.7049312E+02 2.10319946658E-01 -1.17662760218E-01 4.36809079254E-02
8.2252380E+01 3.77295650947E-01 -2.07798012467E-01 7.78448332450E-02
4.1125487E+01 3.63040865449E-01 -1.30902187991E-01 4.00965771956E-02
2.0586094E+01 1.40547062264E-01 2.55656625058E-01 -1.25173545933E-01
1.0185372E+01 1.30657204122E-02 5.35041345845E-01 -2.59587918491E-01
4.9924674E+00 8.28052488764E-04 3.15579516211E-01 -3.56693737014E-02
2.2540529E+00 -4.22052909189E-04 4.54138212696E-02 4.47188686224E-01
9.7833425E-01 5.75270871537E-05 -1.12883183124E-03 5.30598386619E-01
3.7974903E-01 -1.27163713354E-04 8.39178444435E-04 1.81406666848E-01
2.2948325E-01 1.38831759658E-05 -4.70774618171E-04 4.90926088369E-03
Po d
9.7833425E-01 9.99863275919E-01
Po d
3.7974903E-01 9.99946921701E-01
Po d
2.2948325E-01 9.99967923497E-01
Po f
5.8261287E+02 1.59828084531E-03
1.9756108E+02 1.46861914095E-02
8.3349358E+01 6.76238280662E-02
3.8505687E+01 1.92312527880E-01
1.8616521E+01 3.40104348538E-01
9.0210323E+00 3.82533138657E-01
4.2576508E+00 2.46748514755E-01
1.8295243E+00 6.33711326021E-02
Po f
1.8295243E+00 9.99671377843E-01
Po f
7.7352607E-01 9.99861012582E-01
end
basis "At_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
At s
5.8424409E+07 7.11747969079E-06 -2.83795406109E-06 1.37091725195E-06 6.98135376595E-07 -3.24275286360E-07 -1.22006469478E-07
1.5020934E+07 4.79931206150E-05 -1.91444714298E-05 9.25547134974E-06 4.70892528995E-06 -2.18817448328E-06 -8.23139553655E-07
4.8296548E+06 1.71278998732E-04 -6.83539145428E-05 3.30194002344E-05 1.68189186231E-05 -7.81157846330E-06 -2.93916913400E-06
1.6847653E+06 5.58921012556E-04 -2.23364918675E-04 1.08044739815E-04 5.49586938691E-05 -2.55423479605E-05 -9.60794790987E-06
6.2725022E+05 1.64668641540E-03 -6.58974617619E-04 3.18414157825E-04 1.62253268774E-04 -7.53519019377E-05 -2.83534148588E-05
2.4404234E+05 4.61063419435E-03 -1.85193095156E-03 8.96819056092E-04 4.56149458632E-04 -2.12038097856E-04 -7.97562476049E-05
9.8846917E+04 1.21422510014E-02 -4.90364641990E-03 2.37275823235E-03 1.20998567822E-03 -5.61905191715E-04 -2.11451646196E-04
4.1458028E+04 3.01572735807E-02 -1.23314036613E-02 5.99330364918E-03 3.04965938374E-03 -1.41817470870E-03 -5.33416255937E-04
1.7960108E+04 6.93934374523E-02 -2.90136044968E-02 1.41250830063E-02 7.21888217426E-03 -3.35298356486E-03 -1.26200776735E-03
8.0141080E+03 1.43136650854E-01 -6.27088688960E-02 3.09018099966E-02 1.57639101981E-02 -7.33951650785E-03 -2.76067648221E-03
3.6751153E+03 2.47010103092E-01 -1.17728953379E-01 5.87465427199E-02 3.02632172239E-02 -1.40714815984E-02 -5.29951106332E-03
1.7283371E+03 3.09543640166E-01 -1.69652749997E-01 8.77787366632E-02 4.51586310362E-02 -2.11184148985E-02 -7.94364065834E-03
8.3043748E+02 2.18323699312E-01 -1.05775097898E-01 5.18943552254E-02 2.72432024639E-02 -1.25605392314E-02 -4.74734502709E-03
3.9327607E+02 5.23942285081E-02 2.33071174397E-01 -1.79140697336E-01 -1.04456637818E-01 4.97232948431E-02 1.88772616666E-02
1.9824109E+02 -1.45591284661E-03 5.49631198079E-01 -5.45119756018E-01 -3.28634484824E-01 1.60759552462E-01 6.09502856547E-02
1.0229702E+02 1.62168518360E-03 3.33389067792E-01 -3.35402955976E-01 -2.30468967079E-01 1.13912288241E-01 4.37756855793E-02
5.0047987E+01 -9.91166717650E-04 4.25743837877E-02 6.58189644543E-01 7.12826692313E-01 -3.97605404893E-01 -1.56092976167E-01
2.6418236E+01 5.57818502516E-04 -2.83730654113E-03 6.68659127456E-01 8.70609402585E-01 -5.31675878027E-01 -2.11062345512E-01
1.2152600E+01 -2.95436803717E-04 1.07793084266E-03 9.25976072276E-02 -6.73989665924E-01 6.18644608359E-01 2.64869432873E-01
6.3563670E+00 1.60624622846E-04 -6.52977892365E-04 -7.62436274677E-03 -8.57281784653E-01 1.03039105479E+00 4.92242082781E-01
2.4279895E+00 -6.70799652515E-05 2.71050397340E-04 2.34107245846E-03 -7.50393699195E-02 -7.87880680744E-01 -5.64077800152E-01
1.2090939E+00 3.24246485405E-05 -1.30018312552E-04 -1.09075039191E-03 1.15677596838E-02 -7.46672722719E-01 -6.23956542785E-01
3.3458672E-01 -9.14400306233E-06 4.32358434124E-05 2.25425818953E-04 -2.21973368586E-03 -3.25753394674E-02 8.16081064135E-01
1.2947162E-01 3.66361595204E-06 -2.04205635085E-05 -6.29551021785E-05 7.47936697240E-04 5.35043292919E-03 5.28939154576E-01
At s
1.2090939E+00 9.99927574900E-01
At s
1.2947162E-01 9.99992243746E-01
At p
1.6858098E+07 3.94823052610E-07 -2.06035062329E-07 1.04512918410E-07 -4.61304383146E-08 1.44264294517E-08
3.0353119E+06 3.47542137971E-06 -1.81375348617E-06 9.25525893234E-07 -4.06831993803E-07 1.27597382416E-07
6.9174566E+05 2.27003295636E-05 -1.19028441984E-05 6.03880462147E-06 -2.66796612537E-06 8.34000961094E-07
1.8259603E+05 1.33340460759E-04 -7.00064278372E-05 3.57880772396E-05 -1.57322982811E-05 4.93546422640E-06
5.4034684E+04 7.23948053275E-04 -3.82415086884E-04 1.94396636010E-04 -8.59083153757E-05 2.68595266359E-05
1.7667826E+04 3.56968735132E-03 -1.89255463113E-03 9.69305481652E-04 -4.26483534478E-04 1.33776177164E-04
6.3477461E+03 1.53418922874E-02 -8.22875236295E-03 4.20013559564E-03 -1.85731131907E-03 5.80889720312E-04
2.4885643E+03 5.52006701881E-02 -3.01452336571E-02 1.55533288629E-02 -6.85537896460E-03 2.15099534460E-03
1.0520744E+03 1.56931846182E-01 -8.90704987687E-02 4.60814850292E-02 -2.04560915794E-02 6.39962557432E-03
4.7211751E+02 3.18595019437E-01 -1.90259734062E-01 1.00747732011E-01 -4.45944713443E-02 1.40210470469E-02
2.2192763E+02 3.77948419400E-01 -2.20112775853E-01 1.12838310394E-01 -5.04244829819E-02 1.56992244535E-02
1.0742120E+02 1.85989463739E-01 9.60024146349E-02 -9.08652793151E-02 4.70229019538E-02 -1.47861039768E-02
5.2969022E+01 1.75588813328E-02 5.66652628413E-01 -4.85808059446E-01 2.37745072054E-01 -7.66062635346E-02
2.6715273E+01 -2.22464955768E-03 4.05825446598E-01 -2.16719391323E-01 9.55900390122E-02 -2.82592210714E-02
1.2615512E+01 -3.43804114704E-03 5.92940396267E-02 6.34839365977E-01 -4.81457246265E-01 1.62029342452E-01
6.1868622E+00 -2.28594820209E-03 -1.67286447533E-03 5.46577615045E-01 -3.69544168510E-01 1.30312203716E-01
2.5347171E+00 -2.29890706473E-03 8.29681271112E-04 5.83176666104E-02 6.66728341572E-01 -3.27956713044E-01
1.1183934E+00 -2.02003235857E-03 -2.84833239642E-04 -4.90430079203E-03 5.67994309331E-01 -2.36389897848E-01
3.1726392E-01 -1.96407983874E-03 1.42723344974E-04 6.79090088020E-04 4.01426169011E-02 6.05399593677E-01
1.0310242E-01 -1.60611591807E-03 2.75219206857E-05 -6.39813391383E-04 -3.93553589536E-03 5.70603457092E-01
At p
1.1183934E+00 9.99888354023E-01
At p
1.0310242E-01 9.99989705787E-01
At d
1.0478646E+04 2.07484079158E-04 -1.11488663589E-04 4.22220793411E-05
2.6925664E+03 2.49391778622E-03 -1.35064283385E-03 5.17634816048E-04
9.5264445E+02 1.63829688347E-02 -8.91550233953E-03 3.39259354069E-03
3.9534229E+02 7.02575863312E-02 -3.89283945878E-02 1.49771016742E-02
1.8032916E+02 2.03512938793E-01 -1.14571132645E-01 4.38725047428E-02
8.7003427E+01 3.71939214886E-01 -2.06548523646E-01 7.98099626505E-02
4.3531517E+01 3.68396970194E-01 -1.40560129977E-01 4.55678427405E-02
2.1852445E+01 1.49047680157E-01 2.38982533245E-01 -1.22445152552E-01
1.0846574E+01 1.51147018458E-02 5.34165969225E-01 -2.68787137622E-01
5.3410686E+00 8.05592017944E-04 3.28369652228E-01 -5.03547549933E-02
2.4330765E+00 -4.11406086072E-04 4.98861309390E-02 4.49017089026E-01
1.0707747E+00 4.63624158818E-05 -1.25576201470E-03 5.36073505926E-01
4.2066819E-01 -1.25818324852E-04 9.32477398542E-04 1.75857668141E-01
2.5699282E-01 9.00259313864E-06 -5.33700344661E-04 4.53229120854E-03
At d
1.0707747E+00 9.99850360519E-01
At d
4.2066819E-01 9.99941202926E-01
At d
2.5699282E-01 9.99964078526E-01
At f
6.1490293E+02 1.52722816530E-03
2.0841720E+02 1.41412106576E-02
8.7984805E+01 6.57871474028E-02
4.0700851E+01 1.89024714709E-01
1.9726322E+01 3.38220287206E-01
9.5953321E+00 3.83944777237E-01
4.5544477E+00 2.48635502885E-01
1.9765264E+00 6.33543438292E-02
At f
1.9765264E+00 9.99644989221E-01
At f
8.7819427E-01 9.99842210875E-01
end
basis "Rn_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
Rn s
5.6847660E+07 7.69768866395E-06 -3.08465696126E-06 1.49228422814E-06 7.62185436053E-07 -3.57848288280E-07 -1.38135175414E-07
1.4679406E+07 5.16130433062E-05 -2.06912495826E-05 1.00175936683E-05 5.11193163809E-06 -2.40109546336E-06 -9.26668977118E-07
4.7491256E+06 1.82162062113E-04 -7.30631047818E-05 3.53464526896E-05 1.80574426424E-05 -8.47733785556E-06 -3.27254119006E-06
1.6678766E+06 5.88458085346E-04 -2.36355531499E-04 1.14493125861E-04 5.84133416848E-05 -2.74412278365E-05 -1.05899076823E-05
6.2517053E+05 1.71593772354E-03 -6.90187005004E-04 3.33994302202E-04 1.70695945607E-04 -8.01280533585E-05 -3.09343237810E-05
2.4468143E+05 4.76280952228E-03 -1.92283862721E-03 9.32510630257E-04 4.75728381927E-04 -2.23530042424E-04 -8.62582852247E-05
9.9616040E+04 1.24411827204E-02 -5.05032181151E-03 2.44745330829E-03 1.25177299412E-03 -5.87581490204E-04 -2.26864726836E-04
4.1959535E+04 3.06782941871E-02 -1.26089611410E-02 6.13723524710E-03 3.13233113761E-03 -1.47238217845E-03 -5.68153222543E-04
1.8241735E+04 7.01223504185E-02 -2.94666565680E-02 1.43680444823E-02 7.36483949624E-03 -3.45767612355E-03 -1.33529188429E-03
8.1632227E+03 1.43765098487E-01 -6.32746821501E-02 3.12262226134E-02 1.59778778408E-02 -7.51981207789E-03 -2.90170588013E-03
3.7522497E+03 2.46722595088E-01 -1.17989221513E-01 5.89624127436E-02 3.04640113893E-02 -1.43174947723E-02 -5.53290103036E-03
1.7679903E+03 3.07761307635E-01 -1.68543472995E-01 8.72657504970E-02 4.50248078709E-02 -2.12853310175E-02 -8.21272052407E-03
8.5097957E+02 2.16463528699E-01 -1.02475469310E-01 4.98799207728E-02 2.62106815314E-02 -1.21974858491E-02 -4.73413973368E-03
4.0411811E+02 5.20953327344E-02 2.35659376976E-01 -1.81878696987E-01 -1.06409780980E-01 5.12213941900E-02 1.99658196899E-02
2.0390712E+02 -1.33982422401E-03 5.47897159714E-01 -5.44471636549E-01 -3.29601181627E-01 1.63104812636E-01 6.34457400295E-02
1.0535432E+02 1.57764825586E-03 3.31268244551E-01 -3.31893743285E-01 -2.28460071186E-01 1.14123693292E-01 4.50738975641E-02
5.1722745E+01 -9.70818363424E-04 4.24174074573E-02 6.56834433644E-01 7.14615593086E-01 -4.03647680122E-01 -1.62927549435E-01
2.7337532E+01 5.48874292270E-04 -2.74543236701E-03 6.68495803329E-01 8.73850467165E-01 -5.41028623801E-01 -2.20652421789E-01
1.2628208E+01 -2.94725607366E-04 1.05720923003E-03 9.37578272629E-02 -6.69558093023E-01 6.25422328172E-01 2.75632403296E-01
6.6353468E+00 1.62614656418E-04 -6.50835829496E-04 -7.75886571568E-03 -8.62164173081E-01 1.05262468237E+00 5.20182621147E-01
2.5655390E+00 -6.97414406637E-05 2.77018296873E-04 2.41725165451E-03 -7.78658941820E-02 -7.88212241105E-01 -5.88638706785E-01
1.2947508E+00 3.42851070945E-05 -1.34442739338E-04 -1.14035951519E-03 1.20608168869E-02 -7.58310001014E-01 -6.55760711565E-01
3.7027959E-01 -9.76030238949E-06 4.45233115363E-05 2.37711218037E-04 -2.27861795564E-03 -3.35930655076E-02 8.38644408644E-01
1.4437317E-01 3.87706946354E-06 -2.06908018707E-05 -6.42742718018E-05 7.58154233114E-04 5.20655567803E-03 5.27898155334E-01
Rn s
1.2947508E+00 9.99922444709E-01
Rn s
1.4437317E-01 9.99991351052E-01
Rn p
1.7282412E+07 4.01242237300E-07 -2.09869143809E-07 1.06863386814E-07 -4.78924658652E-08 1.55743813801E-08
3.1564173E+06 3.49160130852E-06 -1.82598860752E-06 9.35379719140E-07 -4.17462696351E-07 1.36168952812E-07
7.2528272E+05 2.25128979137E-05 -1.18321947499E-05 6.02596585216E-06 -2.70316149282E-06 8.78675431257E-07
1.9241250E+05 1.30706455618E-04 -6.87676958975E-05 3.52919794920E-05 -1.57518957795E-05 5.13937171524E-06
5.7089883E+04 7.03305467202E-04 -3.72407006287E-04 1.90036186758E-04 -8.52724310429E-05 2.77231472712E-05
1.8676502E+04 3.45238789540E-03 -1.83429871523E-03 9.43152558211E-04 -4.21336887645E-04 1.37450847190E-04
6.7019044E+03 1.48357455514E-02 -7.97507636150E-03 4.08621401038E-03 -1.83471069914E-03 5.96699733479E-04
2.6216916E+03 5.35623946890E-02 -2.92963959696E-02 1.51726790350E-02 -6.79011923281E-03 2.21579619562E-03
1.1057445E+03 1.53261816931E-01 -8.70861887125E-02 4.52175229461E-02 -2.03805384546E-02 6.63035690249E-03
4.9517941E+02 3.14439003337E-01 -1.87799958350E-01 9.97887891361E-02 -4.48482038260E-02 1.46662769551E-02
2.3240436E+02 3.79317093075E-01 -2.22423663163E-01 1.14706073183E-01 -5.20601658530E-02 1.68565767894E-02
1.1245943E+02 1.91822957864E-01 8.49572591804E-02 -8.37653840442E-02 4.44035585336E-02 -1.45230979841E-02
5.5355725E+01 1.94087948536E-02 5.62003817107E-01 -4.83609850689E-01 2.40589652228E-01 -8.07438440607E-02
2.7913637E+01 -2.42606153633E-03 4.14986194837E-01 -2.31053576708E-01 1.05161197843E-01 -3.25101939988E-02
1.3172835E+01 -3.46976542019E-03 6.26549450043E-02 6.28292888870E-01 -4.87316419476E-01 1.71286626355E-01
6.4826142E+00 -2.36265915778E-03 -1.98070384516E-03 5.54682290091E-01 -3.83953142312E-01 1.41883173561E-01
2.6726335E+00 -2.34616071450E-03 9.58645762696E-04 6.10622772796E-02 6.70671675569E-01 -3.50895769653E-01
1.1986360E+00 -2.04185552060E-03 -3.45858587995E-04 -5.34994602678E-03 5.69326549766E-01 -2.47500373025E-01
3.5258556E-01 -1.98305403511E-03 1.57526265235E-04 7.88059654061E-04 3.96101521274E-02 6.27906713410E-01
1.1589315E-01 -1.70873835881E-03 2.33435527770E-05 -6.64801078862E-04 -4.52379932461E-03 5.56486532195E-01
Rn p
1.1986360E+00 9.99880345288E-01
Rn p
1.1589315E-01 9.99988428728E-01
Rn d
1.1152045E+04 1.94524525602E-04 -1.05198008408E-04 4.09584587391E-05
2.8550238E+03 2.35160823595E-03 -1.28087061685E-03 5.04568152439E-04
1.0073064E+03 1.55612848934E-02 -8.51997195005E-03 3.33304427351E-03
4.1732411E+02 6.73430606105E-02 -3.75121290827E-02 1.48340027125E-02
1.9017176E+02 1.97453457060E-01 -1.11837708352E-01 4.40360521268E-02
9.1749017E+01 3.66933216406E-01 -2.05351328861E-01 8.15823310905E-02
4.5931215E+01 3.72853971089E-01 -1.48868102488E-01 5.05737505437E-02
2.3113258E+01 1.56820936383E-01 2.24118523333E-01 -1.19829103516E-01
1.1504271E+01 1.71265884399E-02 5.32971861920E-01 -2.77197471531E-01
5.6878631E+00 7.80621130419E-04 3.39509762746E-01 -6.36153181320E-02
2.6121186E+00 -3.98050689967E-04 5.39550032334E-02 4.51235855254E-01
1.1636518E+00 3.34386089825E-05 -1.35660965826E-03 5.40648415577E-01
4.6165150E-01 -1.23565659735E-04 1.01833518287E-03 1.70909286240E-01
2.8667532E-01 3.97094073093E-06 -5.98158768828E-04 4.22984451306E-03
Rn d
1.1636518E+00 9.99837384686E-01
Rn d
4.6165150E-01 9.99935475297E-01
Rn d
2.8667532E-01 9.99959929906E-01
Rn f
6.4790027E+02 1.46284102531E-03
2.1949386E+02 1.36435059535E-02
9.2708199E+01 6.40935983376E-02
4.2937519E+01 1.85954770439E-01
2.0857278E+01 3.36416453192E-01
1.0181223E+01 3.85250746566E-01
4.8578411E+00 2.50419793334E-01
2.1274354E+00 6.33515819196E-02
Rn f
2.1274354E+00 9.99617901778E-01
Rn f
9.7888964E-01 9.99824123963E-01
end
Reference in a new issue View git blame Copy permalink