ECP_POTENTIALS_pob-TZVP-rev2

# ECP for rev2 of Consistent Gaussian basis sets for solid-state calculations.
# to be used with corresponding "TZVP-rev2" basis sets in BASIS_pob
#
# Elements                             References
# --------                             ----------
# Rb - I:  Laun, J., Bredow, T., J. Comput. Chem. (2022) 43, 839-846.
#          https://doi.org/10.1002/jcc.26839
# Cs - Po: Laun, J., Bredow, T., J. Comput. Chem. (2021), 42, 1064-1072.
#          https://doi.org/10.1002/jcc.26521 
pob-TZVP-rev2
Rb nelec 28
Rb ul
2      1.00000000             0.00000000
Rb S
2      5.03168338            89.50394959
2      2.01518543             0.43790360
Rb P
2      4.38354446            19.52047020
2      4.33265928            39.03895536
2      1.37428809             0.17060934
2      1.22577239             0.41849988
Rb D
2      3.41560137            10.48266124
2      3.41286337            15.72406028
2      1.03050490             0.26608284
2      1.01987216             0.40880218
Rb F
2      3.57440341            -4.47828443
2      3.56571059            -5.95690751
Sr nelec 28
Sr ul
2      1.00000000             0.00000000
Sr S
2      6.93346099           135.27104291
2      4.11400383            17.94407140
Sr P
2      7.21681662            29.43808135
2      7.17369617            58.88067486
2      3.02279882             4.93628269
2      2.86569903             9.72335207
Sr D
2      6.32151460            11.90723919
2      6.39149949            17.85955144
2      1.76972660             2.19918023
2      1.63677166             2.89357087
Sr F
2      4.24419840            -5.50933325
2      4.22916447            -7.30464169
Y nelec 28
Y ul
2      1.00000000             0.00000000
Y S
2      7.85827500           135.13497400
2      3.38212800            15.41163200
Y P
2      6.84979100            29.25143700
2      6.71009200            58.50836300
2      3.04215900             3.78024300
2      2.93733000             7.67654700
Y D
2      5.41631500            11.84991100
2      5.33341600            17.77810300
2      1.97621200             2.06238300
2      1.96111100             3.07565400
Y F
2      5.02859000            -6.92807800
2      5.00558200            -9.15509900
Zr nelec 28
Zr ul
2      1.00000000             0.00000000
Zr S
2      8.63652800           150.24299400
2      3.71763900            18.78003600
Zr P
2      7.62672800            33.19279100
2      7.45320700            66.38903900
2      3.35838900             4.62072600
2      3.22973800             9.26027000
Zr D
2      5.93808600            13.99338300
2      5.82554400            20.99588200
2      2.20501900             2.28516600
2      2.20629200             3.44126000
Zr F
2      4.80021500            -5.23932000
2      4.79899200            -6.98742400
Nb nelec 28
Nb ul
2      1.00000000             0.00000000
Nb S
2      9.37657800           165.15673600
2      4.04357200            21.82395100
Nb P
2      8.36360900            37.24928400
2      8.16689800            74.50738900
2      3.69307500             5.43948600
2      3.55104700            10.91325200
Nb D
2      6.68910800            15.21454900
2      6.53719300            22.83350800
2      2.55111800             3.00005200
2      2.56789600             4.55373400
Nb F
2      5.56828500            -6.28135400
2      5.67137200            -8.75564400
Mo nelec 28
Mo ul
2      1.00000000             0.00000000
Mo S
2     10.09700000           180.07685300
2      4.37567000            24.71592000
Mo P
2      9.12656400            41.22767800
2      8.86322300            82.45267000
2      4.04494800             6.34509200
2      3.86665700            12.45842300
Mo D
2      7.53575400            19.30874400
2      7.27897600            28.97767400
2      2.76320500             3.18951600
2      2.77208500             4.70016900
Mo F
2      6.30663300            -7.17888800
2      6.35644800            -9.74597800
Tc nelec 28
Tc ul
2      1.00000000             0.00000000
Tc S
2     10.79936900           195.09130300
2      4.70725700            27.34041300
Tc P
2      9.82669900            45.06081200
2      9.56111500            90.11729500
2      4.37857800             7.07051700
2      4.19090700            14.04801900
Tc D
2      8.33604500            21.65775500
2      8.24453300            32.47195900
2      3.09370700             3.78952500
2      3.16872200             6.05343000
Tc F
2      7.04094000            -7.99562300
2      7.06947300           -10.74569600
Ru nelec 28
Ru ul
2      1.00000000             0.00000000
Ru S
2     11.50059000           209.78649300
2      5.06857500            30.21430700
Ru P
2     10.53263400            48.75124400
2     10.19201000            97.49652900
2      4.73489200             7.86018800
2      4.50906500            15.32975100
Ru D
2      8.87797700            26.96750600
2      8.76612200            40.43230300
2      3.17019600             3.34075800
2      3.22885100             5.25635200
Ru F
2      7.82024900            -8.84752500
2      7.83964700           -11.83551800
Rh nelec 28
Rh ul
2      1.00000000             0.00000000
Rh S
2     12.19481600           225.31205400
2      5.40513700            32.44158200
Rh P
2     11.28075500            52.87282600
2     10.92724800           105.74552600
2      5.09011700             8.61934400
2      4.85183200            16.97345900
Rh D
2      9.13633700            25.10850100
2      8.96480800            37.69573100
2      3.64361200             4.20258400
2      3.63600700             6.29279000
Rh F
2      8.61622800            -9.67356800
2      8.62943500           -12.89984700
Pd nelec 28
Pd ul
2      1.00000000             0.00000000
Pd S
2     12.79882500           240.26278900
2      5.80052800            34.72996100
Pd P
2     11.87469700            56.74692900
2     11.47433500           113.44441700
2      5.51599900             9.34563900
2      5.24804300            18.34544700
Pd D
2      8.50221200            28.59555400
2      7.98332400            43.45392100
2      3.10762800             1.85228600
2      2.47673400             1.40676500
Pd F
2      9.67957100           -10.98725500
2      9.69134900           -14.62619000
Ag nelec 28
Ag ul
2      1.00000000             0.00000000
Ag S
2     12.56771400           255.05477100
2      6.99766200            36.98339300
Ag P
2     11.31649600            60.71570500
2     10.95806300           121.44388900
2      7.11140000            10.17186600
2      6.77331900            20.48656400
Ag D
2      8.92843700            29.50493800
2     11.10256700            44.01873600
2      5.54321200             5.36833300
2      3.92883500             7.40837500
Ag F
2     11.01291300           -12.62340300
2     11.01989800           -16.76432700
Cd nelec 28
Cd ul
2      1.00000000             0.00000000
Cd S
2     13.35517600           270.03944800
2      7.30837800            38.87776600
Cd P
2     12.65972800            64.60747000
2     12.28963900           129.21944500
2      6.78617600            10.62255800
2      6.40074300            21.26504600
Cd D
2     11.16172200            31.66396500
2     11.21961500            47.48921600
2      4.53773300             5.18620000
2      4.33572700             7.56606300
Cd F
2     11.47898600           -12.63278500
2     11.48702700           -16.76017100
In nelec 28
In ul
2      1.00000000             0.00000000
In S
2     15.39282200           281.12235000
2      8.05586400            61.90147000
In P
2     13.92867200            67.46215400
2     13.34723400           134.94925000
2      7.61413200            14.74614000
2      7.31836500            29.63926200
In D
2     14.03471500            35.49325400
2     14.51161600            53.17877300
2      5.55055000             9.17728100
2      5.05941500            12.39241000
In F
2     12.53905600           -13.72807800
2     12.55256100           -18.20686600
Sn nelec 28
Sn ul
2      1.00000000             0.00000000
Sn S
2     17.42041400           279.98868200
2      7.63115500            62.37781000
Sn P
2     16.13102400            66.16252300
2     15.62807700           132.17439600
2      7.32560800            16.33941700
2      6.94251900            32.48895900
Sn D
2     15.51497600            36.38744100
2     15.18816000            54.50784100
2      5.45602400             8.69682300
2      5.36310500            12.84020800
Sn F
2     12.28234800           -12.57633300
2     12.27215000           -16.59594400
Sb nelec 28
Sb ul
2      1.00000000             0.00000000
Sb S
2     16.33086500           281.07158100
2      8.55654200            61.71660400
Sb P
2     14.47033700            67.45738000
2     13.81619400           134.93350300
2      8.42492400            14.71634400
2      8.09272800            29.51851200
Sb D
2     14.88633100            35.44781500
2     15.14631900            53.14346600
2      5.90826700             9.17922300
2      5.59432200            13.24025300
Sb F
2     14.44497800           -15.36680100
2     14.44929500           -20.29613800
Te nelec 28
Te ul
2      1.00000000             0.00000000
Te S
2     16.81447300           281.04584300
2      8.79352600            61.62065600
Te P
2     14.87780100            67.44946400
2     14.26973100           134.90430400
2      8.72443500            14.68954700
2      8.29151500            29.41506300
Te D
2     15.20500800            35.43205700
2     15.22584800            53.13568700
2      6.07176900             9.06980200
2      5.80476000            13.12230400
Te F
2     15.20616800           -15.74545000
2     15.20170200           -20.74244800
I nelec 28
I ul
2      1.00000000             0.00000000
I S
2     40.03337600            49.98964900
2     17.30057600           281.00655600
2      8.85172000            61.41673900
I P
2     15.72014100            67.41623900
2     15.20822200           134.80769600
2      8.29418600            14.56654800
2      7.75394900            28.96842200
I D
2     13.81775100            35.53875600
2     13.58780500            53.33975900
2      6.94763000             9.71646600
2      6.96009900            14.97750000
I F
2     18.52295000           -20.17661800
2     18.25103500           -26.08807700
2      7.55790100            -0.22043400
2      7.59740400            -0.22164600
Xe nelec 28
Xe ul
2      1.00000000             0.00000000
Xe S
2     40.00518400            49.99796200
2     17.81221400           281.01330300
2      9.30415000            61.53825500
Xe P
2     15.70177200            67.43914200
2     15.25860800           134.87471100
2      9.29218400            14.66330000
2      8.55900300            29.35473000
Xe D
2     15.18560000            35.43690800
2     14.28450000            53.19577200
2      7.12188900             9.04623200
2      6.99196300            13.22368100
2      0.62394600             0.08485300
2      0.64728400             0.04415500
Xe F
2     20.88155700           -23.08929500
2     20.78344300           -30.07447500
2      5.25338900            -0.28822700
2      5.36118800            -0.38692400
Cs nelec 46
Cs ul
2      1.00000000             0.00000000
Cs S
2      4.08111921            84.54772233
2      2.42152238            16.65403497
Cs P
2      5.53397264            52.34963074
2      5.50679438           104.69941318
2      2.28096158             8.80655772
2      2.10349050            17.61661111
Cs D
2      1.81314941             5.26898551
2      1.80772168             7.90364192
2      0.87290403             1.33643128
2      0.85872028             2.00565133
Cs F
2      5.21708386           -16.49765430
2      5.14819648           -23.30813134
2      1.58059947            -2.23682735
2      1.34789592            -2.22694195
Cs G
2      1.80773982            -2.50419872
2      1.80506131            -3.13824452
Ba nelec 46
Ba ul
2      1.00000000             0.00000000
Ba S
2      4.17793159            84.78545758
2      2.52263280            17.37270904
Ba P
2      6.29411935            52.51222574
2      6.47645775           105.02266865
2      2.28432665             8.70701494
2      2.09155520            17.16545883
Ba D
2      1.92529174             5.34653568
2      1.87853412             8.02572074
2      0.90708873             1.34629508
2      0.91006095             2.06371045
Ba F
2      6.25632167           -20.00322347
2      6.13413584           -26.11821475
2      1.64138278            -2.34445799
2      1.59934332            -2.98086748
Ba G
2      2.14238100            -3.31660276
2      2.15998111            -4.27564702
Hf nelec 60
Hf ul
2      1.00000000             0.00000000
Hf S
2     10.24885550           478.23740400
4     10.72912730             0.38802390
2      1.96485640            -1.07123160
Hf P
2      8.68346220           101.04681830
4      9.37924270             0.13264580
2      1.59668640            -0.40791377
2      7.91692000           212.19776093
4      8.24420880             0.45310787
2      1.71028050            -0.56181693
Hf D
2      5.18955690            43.11546688
4      5.93787150             0.02591168
2      1.01485580            -0.28057888
2      5.25322860            65.93473230
4      5.71290630             0.03374112
2      0.47371160            -0.08484924
Hf F
2      1.91260790             4.81180110
2      1.88074000             6.41857354
Hf G
2      2.72418010            -4.63658493
2      2.70895290            -5.76728839
Ta nelec 60
Ta ul
2      1.00000000             0.00000000
Ta S
2     10.31806920           454.60064950
4     10.54026710             2.83797470
2      2.57472570            -0.81473570
Ta P
2      8.74334250            96.91078317
4      9.27573600             4.81252367
2      2.07712710            -0.45917270
2      7.91622270           195.85043193
4      8.10167530             6.33851240
2      2.75037230            -0.64458633
Ta D
2      5.44731350            45.96997556
4      5.88435790             0.80293292
2      1.38818040            -0.30722744
2      5.21254550            69.63897162
4      5.64957850             0.42959538
2      1.29439830            -0.46155978
Ta F
2      2.16127540             5.75777263
2      2.12593940             7.67816674
Ta G
2      3.14592010            -5.68406551
2      3.12794180            -7.06231256
W nelec 60
W ul
2      1.00000000             0.00000000
W S
2     11.06379490           419.22759860
2      8.21764150            41.19130670
W P
2      9.33818790           107.34811040
4      9.49002000             0.02544197
2      1.88299720            -0.11718450
2      8.43044810           214.69956847
4      9.48994740             0.05189533
2      1.90697160             0.29668853
W D
2      6.20543310            58.88127856
4      6.27455610             0.01953668
2      1.96387520            -0.08857656
2      6.12215660            98.68355616
4      6.22637500             0.02195628
2      1.88828660            -0.20972592
W F
2      2.30795340             6.23247244
2      2.27060870             8.31134457
W G
2      3.58349080            -6.80294404
2      3.56251490            -8.44323222
Re nelec 60
Re ul
2      1.00000000             0.00000000
Re S
2     12.16381440           421.97029970
2      7.10759460            50.13443870
Re P
2      9.68459710            88.48190993
2      9.47621410           176.78721967
2      7.66806580            10.43433833
2      5.05515620            20.45874300
Re D
2      6.50988840            43.16243064
2      6.09121580            64.76775930
2      4.16400600             5.34030112
2      4.40737860             8.24333232
Re F
2      2.56265840             7.24454254
2      2.52154870             9.65926634
Re G
2      4.03459850            -7.97494049
2      4.00962760            -9.88273633
Os nelec 60
Os ul
2      1.00000000             0.00000000
Os S
2     13.00200150           424.39037620
2      6.96276350            57.12250300
Os P
2     10.49894090            88.27900273
2      9.99252300           176.48606367
2      6.58824770            11.71501200
2      5.03716750            22.91500633
Os D
2      7.08344080            44.77770836
2      6.72117940            67.15364760
2      3.79462620             5.55038728
2      3.74812500             8.22010362
Os F
2      2.82627570             8.32833249
2      2.78119820            11.10310240
Os G
2      4.49698090            -9.18134298
2      4.46773820           -11.36160383
Ir nelec 60
Ir ul
2      1.00000000             0.00000000
Ir S
2     13.83147390           426.95814900
2      7.04791390            65.33881260
Ir P
2     11.10643310            88.07544227
2     10.45655210           176.12477027
2      6.37961400            12.68225980
2      5.06472600            24.63594933
Ir D
2      7.54875430            46.43325844
2      7.26530790            69.63807366
2      3.80096880             6.15024784
2      3.71828010             9.46356024
Ir F
2      3.09870580             9.48360990
2      3.04946130            12.64274211
Ir G
2      4.96978970           -10.41069653
2      4.93561390           -12.86319600
Pt nelec 60
Pt ul
2      1.00000000             0.00000000
Pt S
2     14.60450030           429.64608700
2      7.21828720            73.15688440
Pt P
2     11.57716180            88.02291727
2     10.88384300           175.99819600
2      6.42440290            13.68227447
2      5.22419810            27.41465080
Pt D
2      7.69960960            43.55785184
2      7.55080760            65.36910762
2      3.96116350             7.01859592
2      3.87277750            11.39173254
Pt F
2      3.37986900            10.71021956
2      3.32625540            14.27812531
Pt G
2      5.45201960           -11.65174880
2      5.41258490           -14.37552483
Au nelec 60
Au ul
2      1.00000000             0.00000000
Au S
2     13.52321800           426.64186700
2      6.26438400            36.80066800
Au P
2     11.41386700            87.00209100
2     10.32921500           174.00437000
2      5.70742400             8.87061000
2      4.82816500            17.90243800
Au D
2      7.43096300            49.88365500
2      8.32199000            74.68454900
2      4.60964200             6.48622700
2      3.51150700             9.54682100
Au F
2      3.08463900             8.79164000
2      3.02474300            11.65845600
Au G
2      3.97844200            -5.23433700
2      4.01149100            -6.73814200
Hg nelec 60
Hg ul
2      1.00000000             0.00000000
Hg S
2     12.41307100           275.77479700
2      6.89791300            49.26789800
Hg P
2     11.31032000            80.50698400
2     10.21077300           161.03482400
2      5.93980400             9.08341600
2      5.01975500            18.36777300
Hg D
2      8.40789500            51.13725600
2      8.21408600            76.70745900
2      4.01261200             6.56182100
2      3.79539800             9.81807000
Hg F
2      3.27310600             9.42900100
2      3.20832100            12.49485600
Hg G
2      4.48529600            -6.33841400
2      4.51320000            -8.09986300
Tl nelec 60
Tl ul
2      1.00000000             0.00000000
Tl S
2     12.16780500           281.28466300
2      8.29490900            62.43425100
Tl P
2      7.15149200             4.63340800
2      5.17286500             9.34175600
2      9.89107200            72.29925300
2      9.00339100           144.55803700
Tl D
2      7.13021800            35.94303900
2      6.92690600            53.90959300
2      5.41757000            10.38193900
2      5.13868100            15.58382200
Tl F
2      5.62639900            15.82548800
2      5.54895200            21.10402100
2      2.87494600             2.91512700
2      2.82145100             3.89690300
Tl G
2      6.67905700            -7.49453400
2      6.70683500            -9.54057500
2      7.20928400            -7.79799200
2      7.07096400            -9.25952400
Pb nelec 60
Pb ul
2      1.00000000             0.00000000
Pb S
2     12.29630300           281.28549900
2      8.63263400            62.52021700
Pb P
2     10.24179000            72.27689700
2      8.92417600           144.59108300
2      6.58134200             4.75869300
2      6.25540300             9.94062100
Pb D
2      7.75433600            35.84850700
2      7.72028100            53.72434200
2      4.97026400            10.11525600
2      4.56378900            14.83373100
Pb F
2      3.88751200            12.20989200
2      3.81196300            16.19029100
Pb G
2      5.69157700            -9.09666500
2      5.71556700           -11.53199600
Bi nelec 60
Bi ul
2      1.00000000             0.00000000
Bi S
2     13.04309000           283.26422700
2      8.22168200            62.47195900
Bi P
2     10.46777700            72.00149900
2      9.11890100           144.00227700
2      6.75479100             5.00794500
2      6.25259200             9.99155000
Bi D
2      8.08147400            36.39625900
2      7.89059500            54.59766400
2      4.95555600             9.98429400
2      4.70455900            14.98148500
Bi F
2      4.21454600            13.71338300
2      4.13340000            18.19430800
Bi G
2      6.20570900           -10.24744300
2      6.22778200           -12.95571000
Po nelec 60
Po ul
2      1.00000000             0.00000000
Po S
2     13.27722700           283.24470600
2      8.39951800            62.39646100
Po P
2     10.66568200            71.99171600
2      9.28375300           143.97187100
2      6.87274900             4.94961500
2      6.32615000             9.74049900
Po D
2      8.21486600            36.37838300
2      8.00869600            54.56271500
2      5.05522700             9.88949900
2      4.78255300            14.69387700
Po F
2      5.01327000            17.42829500
2      4.98464000            23.38035300
2      1.32676000             0.16339200
2      1.52875800             0.32456600
Po G
2      6.77152600           -11.56329400
2      6.77792500           -14.50978800
At nelec 60
At ul
2      1.00000000             0.00000000
At S
2     30.20083200            49.95715800
2     13.61230600           283.21037100
2      8.52934000            62.28105200
At P
2     10.85406500            71.98237100
2      9.46822900           143.90353200
2      7.03111400             4.87175900
2      6.14385800             8.98305900
At D
2      8.31351500            36.36323700
2      7.99896500            54.54897000
2      5.17996600             9.77628500
2      4.94222600            14.26475500
At F
2      5.81216300            19.87019800
2      5.75371500            26.41645200
2      2.51347200             0.99497000
2      2.53626100             1.49070100
At G
2      9.89577800           -22.22320300
2      9.73733400           -26.71547600
2      3.01333100            -0.37304400
2      3.09776300            -0.48594600
Rn nelec 60
Rn ul
2      1.00000000             0.00000000
Rn S
2     30.15124200            49.96555100
2     14.52124100           283.07000000
2      8.05203800            62.00287000
Rn P
2     11.00994200            71.96911900
2      9.61762500           143.86055900
2      7.33600800             4.71476100
2      6.40625300             9.01306500
Rn D
2      8.36922000            36.36836500
2      8.11697500            54.55176100
2      5.35365600             9.63448700
2      5.09721200            14.38790200
Rn F
2      6.34857100            21.79729000
2      6.29594900            28.94680500
2      2.88211800             1.44736500
2      2.90804800             2.17796400
Rn G
2     11.01520500           -25.22809500
2     10.90985300           -30.56612100
2      3.48276100            -0.57480000
2      3.60041800            -0.77953800
END