# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# Grimme vDZP version number 1
# Description: Small basis set used in wB97X-3c method
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  H-Rn
#      Small basis set used in wB97X-3c method
#          mueller2023a
# 
# 
# 
# mueller2023a
#     Müller, Marcel, Hansen, Andreas, Grimme, Stefan
#     ωB97X-3c: A composite range-separated hybrid DFT method with a
#             molecule-optimized polarized valence double-ζ basis set
#     J. Chem. Phys. 158, 014103 (2023)
#     10.1063/5.0133026
# 
# # 
basis "H_Grimme vDZP" SPHERICAL 
#basis SET: (8s,2p) -> [2s,1p]
H    S
     81.886780875039         0.008423954179
     12.231063861388         0.06486128535
      2.786815144183         0.311400883616
      0.775786677408         0.985308081721
      0.223433692783         1.256819962883
H    S
      0.331097483644         0.052292300794
      0.107455350812         0.104139302794
      0.050680508365         0.24511571436
H    P
      1.417043684193         0.759765848611
      0.290781406697         1.522844626098
end
basis "He_Grimme vDZP" SPHERICAL 
#basis SET: (8s,2p) -> [2s,1p]
He    S
    248.304359266256         0.005013791761
     39.257359859983         0.034983701525
      9.290242872987         0.162973195617
      2.650678948299         0.489691016373
      0.811596267579         0.932899350713
He    S
      0.345025805948         0.062111112842
      0.268607161928         0.222877468588
      0.102007122911         0.091342429226
He    P
      1.310041712606         0.696987984442
      0.265008725379         0.17848862876
end
basis "Li_Grimme vDZP" SPHERICAL 
#basis SET: (10s,3p,2d) -> [3s,1p,1d]
Li    S
    261.504397395816         0.007995837268
     39.435060612595         0.058753345768
      8.903002628902         0.251012919032
      2.312128536738         0.601136930396
      0.673560740522         0.478266124634
Li    S
      0.637937919385        -0.146472924115
      0.063047215665         0.821661055674
      0.020134930908         0.034773514803
Li    S
      0.029187683675         1.062645883498
      0.014762824299         1.09550971561
Li    P
      1.607685808951         0.088808339206
      0.261313614186         0.424066699835
      0.078704441731         0.737998244728
Li    D
      0.248573704371         0.694743515137
      0.088415849082         0.788715353455
end
basis "Be_Grimme vDZP" SPHERICAL 
#basis SET: (10s,3p,2d) -> [3s,1p,1d]
Be    S
    510.032398065642         0.005805184625
     76.405556797429         0.043342046125
     17.255250508893         0.188908143114
      4.586010018287         0.46963357222
      1.356430512009         0.395896576117
Be    S
      1.628923371459        -0.134493067135
      0.158484974791         0.944737331855
      0.063902892456         0.171032012077
Be    S
      0.05698489884          0.893658825536
      0.029154653875         1.463000499223
Be    P
      2.658894134528         0.025302164759
      0.449379800839         0.144909124946
      0.113066880133         0.200552018717
Be    D
      0.458082080027         0.881395926545
      0.118291023217         0.993425036644
end
basis "B_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
B    S
      1.548610750968        -0.375453530717
      1.230872527218         0.296383194735
      0.288936160855         0.400281132411
      0.10594553464          0.252339650517
B    S
      0.149430266146         0.631907262941
      0.046078378647         0.717819753504
B    P
      6.82462564215          0.032055054798
      1.786841467886         0.168629590401
      0.529445685476         0.508222453209
      0.171288703178         0.449200455124
B    P
      0.137855130395         1.122762891963
      0.045638926887         1.688087920718
B    D
      0.685952928321         1.20231771208
      0.217177410256         1.378136829807
end


ecp "B_Grimme vDZP"
B nelec 2
B ul
2       1.0                    0.0
B S
2       4.5061                23.99296
B P
2       5.6                   -1.3
B D
2       0.08                  -0.003
end
basis "C_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
C    S
      2.174987790335        -0.276058910823
      1.85222694651          0.240154751118
      0.459098487623         0.191124862153
      0.169128986465         0.087294467451
C    S
      0.227455022611         0.987938126698
      0.086918590957         1.016650788977
C    P
     12.870085333684         0.02474143818
      3.295443583046         0.152192079858
      0.976645717756         0.448674298135
      0.348425197118         0.494756938315
C    P
      0.146489481077         1.594415811311
      0.063733914289         0.807859142831
C    D
      1.025317925428         0.833187865353
      0.250249064514         0.858263567336
end


ecp "C_Grimme vDZP"
C nelec 2
C ul
2       1.0                    0.0
C S
2       6.401052              33.121638
C P
2       7.307747              -1.986257
C D
2       5.961796              -9.454318
end
basis "N_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
N    S
      2.735378582931        -0.239593796561
      2.219800598729         0.224989693361
      0.592708671545         0.194517761229
      0.227406999886         0.098125575699
N    S
      0.280435456826         0.85351547748
      0.105373393767         1.130727240507
N    P
     19.104528476156         0.011792637499
      4.831013846305         0.072900287221
      1.45496950594          0.205542762778
      0.494779046501         0.258358206618
N    P
      0.178530326117         1.242146697946
      0.068618652214         0.429051028293
N    D
      1.230812954761         1.261894149963
      0.370851969193         1.181659566926
end


ecp "N_Grimme vDZP"
N nelec 2
N ul
2       1.0                    0.0
N S
2       7.977232              38.533831
N P
2      10.183854              -2.55081
N D
2      11.559947              -2.995545
end
basis "O_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
O    S
      3.543641820586        -0.263554292988
      2.712717475497         0.265678831423
      0.683184525058         0.279087292612
      0.255976739185         0.112868556239
O    S
      0.286500025367         1.027594577324
      0.123012019465         1.159166516125
O    P
     27.003841820377         0.012470154545
      6.762654966183         0.074520776234
      2.011704598628         0.210079890981
      0.634428348949         0.291319728722
O    P
      0.199067660399         1.512413659527
      0.065643622039         0.31263497907
O    D
      1.366109340367         0.858294230859
      0.461931641275         0.846034666146
end


ecp "O_Grimme vDZP"
O nelec 2
O ul
2       1.0                    0.0
O S
2      10.44567               50.771069
O P
2      18.045174              -4.903551
O D
2       8.164798              -3.312124
end
basis "F_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
F    S
      7.034861151373        -0.446046417537
      4.872932295917         0.241120382569
      1.330878323026         0.666593307204
      0.525469722669         0.781917161284
F    S
      0.821266047563         0.135544243991
      0.198341185022         0.993554010066
F    P
     35.526100039768         0.026818249901
      9.093570542569         0.133596681058
      2.685413226386         0.376326355144
      0.83367839508          0.516681452384
F    P
      0.262279770686         0.931221931175
      0.082396241151         0.200669872602
F    D
      1.454912451083         1.369428727075
      0.446498292031         1.466564035452
end


ecp "F_Grimme vDZP"
F nelec 2
F ul
2       1.0                    0.0
F S
2      22.3504               102.597952
2      11.1752                19.049663
F P
2      26.4768               -15.14396
2      13.2384                 2.802921
F D
2       0.0316                 1.0e-302
end
basis "Ne_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Ne    S
      8.511025142406        -0.34640773137
      6.944709652311         0.242428346755
      1.561041650912         0.456810607744
      0.599496632788         0.413991739819
Ne    S
      0.609511035171         0.175668695012
      0.245683034081         0.854892929924
Ne    P
     56.111190785374         0.018617197509
     14.542058717068         0.119964511456
      4.468992837375         0.351570092625
      1.504786372395         0.552758556945
Ne    P
      0.498808346618         0.959617655183
      0.156283251576         0.293739815995
Ne    D
      1.678877049768         0.562501368964
      0.416060290014         1.450686746125
end


ecp "Ne_Grimme vDZP"
Ne nelec 2
Ne ul
2       1.0                    0.0
Ne S
2      31.860162             112.52543566
2      12.362219              28.30083454
Ne P
2      21.508034             -11.12658543
2      12.910447               3.38754919
Ne D
2       0.850385              -0.18408921
end
basis "Na_Grimme vDZP" SPHERICAL 
#basis SET: (9s,8p,2d) -> [3s,2p,1d]
Na    S
     17.859469979814        -0.094639395365
      1.741589491951         0.454368094759
      0.671216662419         0.326110219634
      0.356748679884         0.099733348288
Na    S
      1.040532238619         1.128928459961
      0.363586481174         0.971270254416
      0.03078866998          0.725021277866
Na    S
      0.063388594723         0.461074706312
      0.027886589957         0.865217967753
Na    P
     94.408900907741         0.022285520404
     22.833035343911         0.141094814336
      7.392308589988         0.456452935832
      2.700481523814         0.811931701139
      0.980041469729         0.86563715921
Na    P
      2.667291528209        -0.005824466879
      0.336960843152         0.524769342105
      0.055297986191         0.011767234747
Na    D
      0.317736281462         0.216305744638
      0.050399448912         1.084520528356
end


ecp "Na_Grimme vDZP"
Na nelec 2
Na ul
2       1.6068                -0.000102
2      22.5230999             -1.715443
1      76.23649979            -1.361911
Na S
2       2.47830001           -14.538661
2       3.09900001            31.91120791
2       3.94710001           -32.32224607
1       8.21659994             3.14094701
0       1.5008                 1.877655
end
basis "Mg_Grimme vDZP" SPHERICAL 
#basis SET: (9s,8p,2d) -> [3s,2p,1d]
Mg    S
     21.746078000863        -0.107712415417
      2.054693963682         0.605039945129
      0.775378201881         0.358253218691
      0.646755053402         0.124456587448
Mg    S
      1.518035874065         0.953325303523
      0.626648472409         0.885052846709
      0.061342469056         0.663200597406
Mg    S
      0.114525781742         1.102821153701
      0.049143798668         1.262827197035
Mg    P
     98.149921577771         0.020030532297
     22.986901774625         0.130645961601
      7.073704413314         0.416305903439
      2.357463360333         0.664621574936
      0.77673708159          0.460953274264
Mg    P
      3.771301810954        -0.008032934562
      0.189166874642         0.340369688597
      0.068419879293         0.26012785633
Mg    D
      0.40180662504          0.846622892966
      0.102441134001         1.53389345857
end


ecp "Mg_Grimme vDZP"
Mg nelec 2
Mg ul
2       1.132                 -5.3e-05
2      27.30570006            -1.932494
1      93.30560017            -1.393847
Mg S
2       2.95159999           -15.62671006
2       3.73249999            33.53119421
2       4.8118               -36.07307196
1       9.91949999             3.12963399
0       1.8185                 1.93843301
end
basis "Al_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Al    S
      3.307057950862         0.035887679384
      1.064990666611        -0.301434323135
      0.217094967607         0.408003674147
      0.103399050795         0.504944565236
Al    S
      0.091326549223         0.267250123332
      0.04038468471          0.424093785538
Al    P
      0.966979219663        -0.093593510129
      0.418602698432         0.186041911562
      0.179016462009         0.364571859325
      0.092774532026         0.270083093687
Al    P
      0.101275278069         0.562522659034
      0.032903691927         0.829515939897
Al    D
      0.653520505846         0.545097705481
      0.177964130832         1.149228250111
end


ecp "Al_Grimme vDZP"
Al nelec 10
Al ul
2       1.0                    0.0
Al S
2       2.198225              20.409813
Al P
2       1.601395               8.980495
Al D
2       1.499026              -1.970411
end
basis "Si_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Si    S
      4.206061763818         0.036046100379
      1.37902975367         -0.278621659842
      0.265740193555         0.514032304554
      0.112502697537         0.365777551979
Si    S
      0.133673616794         0.251860678646
      0.04829785944          1.001912217231
Si    P
      1.367505459412        -0.04531179417
      0.391314943212         0.288581385277
      0.158228930721         0.372264544458
      0.068937667225         0.100776575609
Si    P
      0.117817448223         0.511784304415
      0.041067655925         0.79069918224
Si    D
      1.229803285857         0.317490526212
      0.304062845855         1.160802102368
end


ecp "Si_Grimme vDZP"
Si nelec 10
Si ul
2       1.0                    0.0
Si S
2       2.71362197            26.62331865
Si P
2       1.96687987            10.92995391
Si D
2       2.710016              -4.669412
end
basis "P_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
P    S
      7.49269091296          0.036211256938
      1.520979692504        -0.410346524622
      0.389986469517         0.590431160497
      0.185944246896         0.700026469133
P    S
      0.426277431342         0.066946209604
      0.075641155401         0.662868977638
P    P
      1.182449802418        -0.070708334586
      0.716815122233         0.179798137437
      0.284356002842         0.347185537499
      0.119844662929         0.186156103439
P    P
      0.104174736899         0.642173678179
      0.04299654065          0.592979489332
P    D
      1.695162960423         0.257470657436
      0.351822528642         1.089094143136
end


ecp "P_Grimme vDZP"
P nelec 10
P ul
2       1.0                    0.0
P S
2       2.94055986            26.53226131
P P
2       2.22771255            11.49721021
P D
2       5.661706             -16.77278
end
basis "S_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
S    S
      7.601355269472         0.046444664335
      1.927121218723        -0.464421807155
      0.521456307465         0.575890670867
      0.23053224051          0.826584502527
S    S
      0.470005347879         0.136072106019
      0.083469210422         1.019121415962
S    P
      1.711639257837        -0.172150677616
      1.157276160172         0.256510381181
      0.449727077619         0.514122297269
      0.195290728699         0.449898131647
S    P
      0.121042410856         0.700057493662
      0.06104391532          0.824465481915
S    D
      1.777751118268         0.301983328801
      0.404467069554         1.098792945928
end


ecp "S_Grimme vDZP"
S nelec 10
S ul
2       1.0                    0.0
S S
2       3.74389164            37.974819
S P
2       3.08608744            18.79052931
S D
2       4.862414              -7.837964
end
basis "Cl_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Cl    S
     14.151131413181         0.01760365583
      2.057697743755        -0.379080686343
      0.82572087485          0.374023499125
      0.302442901804         0.721003299953
Cl    S
      0.514888452515         0.170089201402
      0.098706322995         0.945113577067
Cl    P
      2.844174271253        -0.13576249516
      1.377515628579         0.223435753709
      0.619123933124         0.728151126508
      0.26192209568          0.819017057903
Cl    P
      0.126421788724         0.990717918733
      0.073988046008         0.69660799963
Cl    D
      1.922210814739         0.588629611664
      0.428318736672         1.937851927117
end


ecp "Cl_Grimme vDZP"
Cl nelec 10
Cl ul
2       1.0                    0.0
Cl S
2       6.3943                33.13663196
2       3.1971                16.27072783
Cl P
2       5.6207                24.41699269
2       2.8103                 7.68304978
Cl D
2       5.3381                -8.58764865
end
basis "Ar_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Ar    S
     14.940101122322         0.011521861228
      2.243165636285        -0.558968080854
      1.438970926578         0.4733423415
      0.40687648629          0.631293265007
Ar    S
      0.440259652763         0.06924930831
      0.161875873542         1.603023542921
Ar    P
      3.165484511165        -0.077261666511
      1.111111719803         0.47118173303
      0.414649437581         0.751059102315
      0.162616494311         0.223201162944
Ar    P
      0.154347795709         1.472564774171
      0.071270891501         0.581126940969
Ar    D
      1.467813037801         0.644461354176
      0.399396403391         1.401420583174
end


ecp "Ar_Grimme vDZP"
Ar nelec 10
Ar ul
2       1.0                    0.0
Ar S
2      10.261721              68.66778801
2       3.952725              24.04276629
Ar P
2       5.392714              27.73076331
2       2.699967               4.04545904
Ar D
2       8.086235              -8.13747696
2       4.016632              -1.66452808
Ar F
2       5.208459              -3.40009845
end
basis "K_Grimme vDZP" SPHERICAL 
#basis SET: (9s,7p,2d) -> [3s,2p,1d]
K    S
      2.712682131864        -0.138120511191
      0.959527159237         0.18364778714
      0.415861396286         0.054504151428
      0.22242831782          0.079993072198
K    S
      0.7458301087          -0.013684884521
      0.447736522029         0.507569624842
      0.027242967193         0.912536205404
K    S
      0.032660680703         0.739672700474
      0.024351810227         1.104288980008
K    P
     10.065499144539        -0.038491537428
      0.974019481043         0.674332393862
      0.374596372255         0.612538235871
      0.156921520903         0.172520943233
K    P
      4.042012088018        -0.0070598231
      0.087259092608         0.077806374422
      0.054714257801         0.688537533778
K    D
      0.866638592894         0.502040108967
      0.157085997854         1.055271878444
end


ecp "K_Grimme vDZP"
K nelec 10
K ul
2       4.99889994            -1.96356797
2      14.58220005           -15.53031635
2      44.89559937           -38.5766983
1     141.48350525            -7.30101395
K S
2       2.41030002            33.92499542
2       2.77449989          -117.52191162
2       3.3369               108.25654602
1       2.22169995             5.80375385
0      12.19449997             3.21023202
K P
2       3.1545999            -69.97570801
2       4.03189993           178.15260315
2       5.16720009          -136.11946106
1      11.33360004             4.43228197
0       1.74329996             4.7483592
end
basis "Ca_Grimme vDZP" SPHERICAL 
#basis SET: (9s,7p,2d) -> [3s,2p,1d]
Ca    S
      2.719301351535        -0.078978644821
      1.883275651368         0.187115863443
      0.642163903598         0.589578641721
      0.336487867317         0.370804234632
Ca    S
      3.026324320338        -0.233621817613
      1.242283226509         0.166011018416
      0.053488348283         0.035851055675
Ca    S
      0.058373367494         1.0944269804
      0.029921642326         0.431156605007
Ca    P
     10.411513039603        -0.021761105222
      1.181201852942         0.307819154635
      0.472806545197         0.269256985339
      0.206363671314         0.068406701922
Ca    P
      1.10396352553         -0.00936677856
      0.092210626014         0.588635174998
      0.007655059125         0.028655018892
Ca    D
      1.466572349546         0.333010877274
      0.261547289431         0.740339846733
end


ecp "Ca_Grimme vDZP"
Ca nelec 10
Ca ul
2       5.92140007            -2.26729298
2      17.20369911           -17.17546654
2      53.37039948           -42.60916519
1     169.9848938             -7.46766806
Ca S
2       2.68330002            29.85718918
2       3.08299994          -117.43736267
2       3.70659995           102.65641785
1       2.47650003            10.56573391
0      13.28890038             3.14651394
Ca P
2       3.47429991           -77.17020416
2       4.38199997           180.64172363
2       5.66209984          -125.80883789
1       2.20009995             5.88094378
0       6.12169981             4.76948595
end
basis "Sc_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Sc    S
      1.040885767796         0.463978291008
      0.568097001649         0.435148577227
Sc    S
     12.894521140222         0.079236996463
      5.071686274181        -0.458078625675
      1.167181899577         0.336412876746
      0.663942013228         0.3327363778
      0.309654579707         0.211456915306
Sc    S
      0.070617692779         1.482515914675
      0.027248406219         0.639348111708
Sc    P
      6.368578496263        -0.093545873727
      1.949004097442         0.341238050163
      0.815301694561         0.60118000939
      0.313815959827         0.269603495756
Sc    P
      0.037710430517         0.936037163888
      0.026841704778         1.28831616028
Sc    D
     11.687225911271         0.048657783353
      3.314758379726         0.202225028823
      1.046336738397         0.396787231764
      0.313968073144         0.458512682004
Sc    D
      0.096369535224         0.705041436498
      0.031054056783         0.578360893303
end


ecp "Sc_Grimme vDZP"
Sc nelec 10
Sc ul
2       1.0                    0.0
Sc S
2      11.5                  138.538152
2       5.184                 14.8340421
Sc P
2      10.93                  82.458614
2       4.581                  8.56520569
Sc D
2      13.47                 -16.1298621
2       4.375                 -0.53469012
end
basis "Ti_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Ti    S
      1.051736442516         0.627756794746
      0.589928288257         0.487164574898
Ti    S
     16.461347886752         0.082016774935
      5.371386815523        -0.650480440851
      1.448985756914         0.538706537935
      0.638919559348         0.450440953157
      0.241619151339         0.154995866347
Ti    S
      0.07525074581          1.663780527189
      0.02660202523          0.39968906395
Ti    P
      7.122429655502        -0.037873691723
      2.383153836626         0.114975280753
      1.028878547766         0.221233308088
      0.416069961536         0.117542200112
Ti    P
      0.179440719634         1.269893747125
      0.076704284265         0.58524657878
Ti    D
     16.285523097231         0.057717359677
      4.903186429987         0.253388428709
      1.644289014934         0.545862699555
      0.525281547715         0.674601799858
Ti    D
      0.170096639197         1.1662328419
      0.064103525267         0.622642131383
end


ecp "Ti_Grimme vDZP"
Ti nelec 10
Ti ul
2       1.0                    0.0
Ti S
2      13.01                 158.241593
2       5.862                 17.5118239
Ti P
2      12.46                  95.2351268
2       5.217                 10.047856
Ti D
2      15.35                 -17.5688612
2       4.98                  -0.58725612
end
basis "V_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
V    S
      1.012605416044         1.098550324678
      0.547886952925         0.607303361815
V    S
     16.255319265212         0.094023708983
      6.405063127696        -0.537187056948
      1.457163624962         0.520258926643
      0.499926424667         0.122520741372
      0.301185417021         0.072736674208
V    S
      0.090933679299         1.595189552198
      0.036744292616         0.94850869678
V    P
      8.103098572263        -0.081234318416
      2.629836559131         0.267004275831
      1.112202390392         0.48598245815
      0.429812510937         0.238017396511
V    P
      0.134170344208         0.865319211565
      0.045541731704         1.001512124222
V    D
     20.991852147597         0.047940709014
      6.482973795152         0.218068368478
      2.259607977658         0.483008624822
      0.78738846133          0.596005568614
V    D
      0.266299635377         0.873322009295
      0.085848775242         0.412455368037
end


ecp "V_Grimme vDZP"
V nelec 10
V ul
2       1.0                    0.0
V S
2      14.49                 178.447971
2       6.524                 19.8313752
V P
2      14.3                  109.529763
2       6.021                 12.5703095
V D
2      17.48                 -19.219657
2       5.709                 -0.64277474
end
basis "Cr_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Cr    S
      1.22614416711          1.430412693717
      0.536784361672         0.817200561042
Cr    S
     19.326807872923         0.115928746519
      6.895352080094        -0.789981589302
      1.869640267141         0.56370733899
      0.843806445546         0.445197267976
      0.311586877483         0.070648620143
Cr    S
      0.103687455191         1.278362236512
      0.04045394357          0.998838137196
Cr    P
      9.274973304564        -0.067626882136
      2.834803217107         0.248491248438
      1.188671904758         0.41830925099
      0.452672452476         0.19064323796
Cr    P
      0.099943441911         0.572805817456
      0.020690649882         0.829846109272
Cr    D
     25.343518443315         0.043409250189
      7.83719467408          0.208571751452
      2.70373099074          0.481280315878
      0.923329332261         0.600167729446
Cr    D
      0.301729037231         1.148719306493
      0.095659118228         0.610428134382
end


ecp "Cr_Grimme vDZP"
Cr nelec 10
Cr ul
2       1.0                    0.0
Cr S
2      16.39                 201.578887
2       7.402                 24.2057409
Cr P
2      16.45                 125.022774
2       6.962                 16.4790655
Cr D
2      19.93                 -20.8274211
2       6.598                 -0.83436781
end
basis "Mn_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Mn    S
      1.268268420404         1.565497038368
      0.857241213876         1.201323188808
Mn    S
     20.843228079998         0.103402377154
      7.760419419145        -0.656141637759
      1.904516413545         0.665798788078
      1.001320433899         0.396522428503
      0.481937472515         0.292024154733
Mn    S
      0.109140028793         1.457741873878
      0.045318992446         1.357680548185
Mn    P
     10.512436868143        -0.097556999181
      3.099073135769         0.375169172686
      1.322948831985         0.597227851646
      0.527055310067         0.279726392464
Mn    P
      0.344507060257         0.623790512345
      0.118361361298         1.250852309631
Mn    D
     31.818227456997         0.047047726486
     10.037421666655         0.23835879352
      3.534516417893         0.57957695805
      1.249761773374         0.755472666211
Mn    D
      0.419663812162         1.107456649217
      0.131489658435         0.625907283697
end


ecp "Mn_Grimme vDZP"
Mn nelec 10
Mn ul
2       1.0                    0.0
Mn S
2      18.52                 226.430902
2       8.373                 30.3590723
Mn P
2      18.92                 142.154705
2       8.017                 21.5365093
Mn D
2      22.72                 -22.5681187
2       7.64                  -1.2058102
end
basis "Fe_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Fe    S
      1.414672733116         1.048090878533
      0.838969961703         0.701944708617
Fe    S
     22.358655151183         0.092871540367
      8.72672225605         -0.543175687899
      1.883511346045         0.788008191373
      0.898098829763         0.506118339909
      0.499141495354         0.151467937894
Fe    S
      0.1269671899           1.110584663987
      0.048297686989         0.960183114424
Fe    P
     11.737335796504        -0.087457071524
      3.491740558354         0.321194930339
      1.519670314056         0.525914230497
      0.612230245037         0.263690954761
Fe    P
      0.27074051275          0.802890646298
      0.110956520505         0.614971889314
Fe    D
     37.602436513551         0.035788062793
     11.98046902143          0.185256836504
      4.315862847956         0.455518034427
      1.583817661861         0.61035560022
Fe    D
      0.548357256279         1.544966076786
      0.171477360605         0.810476849978
end


ecp "Fe_Grimme vDZP"
Fe nelec 10
Fe ul
2       1.0                    0.0
Fe S
2      20.93                 253.749588
2       9.445                 37.922845
Fe P
2      21.76                 161.036812
2       9.178                 27.651298
Fe D
2      25.9                  -24.431276
2       8.835                 -1.434251
end
basis "Co_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Co    S
      1.728593048399         0.743738752336
      0.965135408786         0.944149972951
Co    S
     25.335315694476         0.087766855961
      9.488355054778        -0.550692716629
      2.105770866101         0.731208569241
      1.152741563097         0.435591231225
      0.600134651908         0.260972326852
Co    S
      0.138217537887         1.152256178711
      0.048799619525         1.322788514015
Co    P
     13.019846825599        -0.106687768822
      3.898569128239         0.379287211199
      1.69191204174          0.646070467691
      0.663194327            0.321080022842
Co    P
      0.266233736271         0.516713551942
      0.087682602286         0.610544822757
Co    D
     46.467186502091         0.036738936657
     14.844727962964         0.206400986919
      5.324781910313         0.545964703962
      1.946193019964         0.772313951631
Co    D
      0.663697766556         1.764841258136
      0.197538703092         0.981959446237
end


ecp "Co_Grimme vDZP"
Co nelec 10
Co ul
2       1.0                    0.0
Co S
2      23.66                 283.960566
2      10.61                  47.1568459
Co P
2      25.04                 182.212236
2      10.44                  35.2333515
Co D
2      29.54                 -26.4753327
2      10.18                  -1.82578723
end
basis "Ni_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Ni    S
      1.585096116449         0.536471821182
      0.927688425987         0.466470527797
Ni    S
     28.117307328944         0.095054204041
     10.323114146207        -0.619352378957
      2.266501334743         0.903046067553
      1.031698338004         0.572669971934
      0.429763116477         0.107936112138
Ni    S
      0.1427239817           1.05293513268
      0.052288562321         0.852229071228
Ni    P
     14.649263427379        -0.123572234826
      4.487248555279         0.373049398485
      1.926522201916         0.666618694496
      0.755571182364         0.334357692295
Ni    P
      0.32092333803          1.109796900506
      0.124597438762         1.06398612525
Ni    D
     55.79559687333          0.032016254993
     17.671713442822         0.206558524336
      6.458884370599         0.576880736568
      2.375449580314         0.853632978049
Ni    D
      0.808597906774         1.577004983294
      0.239256209431         0.904057266556
end


ecp "Ni_Grimme vDZP"
Ni nelec 10
Ni ul
2       1.0                    0.0
Ni S
2      26.74                 317.682272
2      11.86                  58.255391
Ni P
2      28.8                  252.474366
2      11.79                  36.0815031
Ni D
2      33.7                  -18.5229551
2      11.66                  -4.5576681
end
basis "Cu_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Cu    S
      2.018430478515         0.946194744344
      0.849138974882         0.961852815883
Cu    S
     30.095654464774         0.08811100245
     11.189465415118        -0.566864618289
      2.54145211839          0.690601613017
      1.290510764029         0.526642987015
      0.608961815658         0.132227842362
Cu    S
      0.155609251028         1.20550559118
      0.055100263916         1.040275581217
Cu    P
     16.197916896934        -0.10594597322
      4.487908313373         0.425417913649
      1.928366077649         0.642632779569
      0.763943236555         0.292317921669
Cu    P
      0.299840227632         1.292856821394
      0.116773403393         1.061205571547
Cu    D
     60.48729793891          0.03202632735
     19.23304640566          0.186974917418
      6.965090689821         0.519387752985
      2.568903372512         0.762425819652
Cu    D
      0.875809628134         0.877877663513
      0.257690509171         0.512991728701
end


ecp "Cu_Grimme vDZP"
Cu nelec 10
Cu ul
2       1.0                    0.0
Cu S
2      30.110543             355.750512
2      13.07631               70.930906
Cu P
2      32.692614              77.969931
2      32.770339             155.927448
2      13.751067              18.021132
2      13.322166              36.094372
Cu D
2      38.996511             -12.34341
2      39.539788             -18.273362
2      12.287511              -0.984705
2      11.4593                -1.318747
Cu F
2       6.190102              -0.227264
2       8.11878               -0.468773
end
basis "Zn_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Zn    S
      1.739203860675         1.189126584032
      0.78495810681          0.340497149689
Zn    S
     33.874473714375         0.071277616937
     11.972622956367        -0.506758729754
      2.961714395977         0.493378998699
      1.82998191249          0.307312140366
      0.870554735732         0.249108397868
Zn    S
      0.173777482831         1.056166866705
      0.058936157612         0.875584102608
Zn    P
     18.428852736536        -0.07278325437
      4.757828516192         0.320487006186
      2.051504911103         0.464955123397
      0.81129009016          0.202072427695
Zn    P
      0.280329527429         0.290680713435
      0.074967629409         0.340832692654
Zn    D
     69.345783920227         0.038894475768
     22.344643463037         0.225936760009
      8.230073746758         0.625199117295
      3.129607637648         0.942430315944
Zn    D
      1.115445344238         1.300039063947
      0.350438433853         0.725428578056
end


ecp "Zn_Grimme vDZP"
Zn nelec 10
Zn ul
2       1.0                    0.0
Zn S
2      34.174001             399.986399
2      14.456371              85.48975
Zn P
2      39.888683              92.381077
2      39.655017             184.771176
2      15.290546              23.002541
2      14.903524              46.057427
Zn D
2      43.708296             -13.690734
2      43.698536             -20.54398
2      15.150718              -1.316154
2      15.282441              -1.838715
Zn F
2       8.160014              -0.37036
2      12.228422              -1.062943
end
basis "Ga_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Ga    S
      3.461851099712         0.086596634698
      1.673374271825        -0.270587362691
      0.211318368014         0.351819394013
      0.097828153295         0.285416686844
Ga    S
      0.151627010733         0.297902650076
      0.05560437627          0.811459212326
Ga    P
      1.224072196918        -0.142334247355
      0.570340687021         0.15630095728
      0.176342181917         0.414233473261
      0.069338127059         0.187202564348
Ga    P
      0.103202148668         0.781680200651
      0.032521362068         1.139904102344
Ga    D
      0.434136758705         0.630724293037
      0.136436950793         1.735376440057
end


ecp "Ga_Grimme vDZP"
Ga nelec 28
Ga ul
2       1.0                    0.0
Ga S
2       5.21596              203.853972
Ga P
2       4.308904             156.10339
Ga D
2       0.496357               1.031647
Ga F
2       1.71517              -10.673735
end
basis "Ge_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Ge    S
      3.217496101688         0.220957013438
      1.918166572642        -0.51168375372
      0.21490386426          0.831622355013
      0.06758993032          0.205018958674
Ge    S
      0.465696258761         0.242715316187
      0.06017402512          1.570350456114
Ge    P
      3.914179557047         0.071448877544
      2.346468630555        -0.19601425379
      0.273861111944         0.722477976627
      0.105990071273         0.319809081571
Ge    P
      0.202135065169         0.219317596243
      0.061214687117         1.973742824912
Ge    D
      0.37000963312          1.071258503403
      0.132976201398         1.060360506723
end


ecp "Ge_Grimme vDZP"
Ge nelec 28
Ge ul
2       1.0                    0.0
Ge S
2       4.815409             149.246579
Ge P
2       4.169515             132.844335
Ge D
2       0.591958               1.346154
Ge F
2       1.79177               -7.044223
end
basis "As_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
As    S
      3.50769364295          0.15803185398
      1.888383025988        -0.490805795974
      0.288111240456         0.729540893159
      0.143180088068         0.326673579759
As    S
      0.352438514226         0.168792374132
      0.073126498505         1.058779710836
As    P
      1.358255409051        -0.165061038563
      0.934647702814         0.15411956845
      0.292654437651         0.269752770917
      0.122927318606         0.174509228238
As    P
      0.11876753714          0.878680997698
      0.047605103697         1.162342892188
As    D
      0.314487938869         0.831547539129
      0.218493965228         1.033423867748
end


ecp "As_Grimme vDZP"
As nelec 28
As ul
2       1.0                    0.0
As S
2       3.612625              53.96562
As P
2       3.907926              88.949088
As D
2       1.926467              22.420288
As F
2       1.773434              -4.704815
end
basis "Se_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Se    S
      3.650865730594         0.231457444968
      2.210903609188        -0.563533855155
      0.33517092815          0.729862073845
      0.151638836734         0.315657165245
Se    S
      0.599638822173         0.126025157342
      0.075582134264         1.069252579041
Se    P
      1.507148257439        -0.162605422408
      0.913367414636         0.183499918283
      0.341221978698         0.372235321531
      0.150432587271         0.271959003606
Se    P
      0.15708285449          0.530816305712
      0.061272426885         1.598391183858
Se    D
      0.36759750263          1.060909735181
      0.223013187434         0.893014584292
end


ecp "Se_Grimme vDZP"
Se nelec 28
Se ul
2       1.0                    0.0
Se S
2       4.237057              79.663345
Se P
2       2.910334              31.560993
Se D
2       2.335701              30.80461
Se F
2       2.254639              -6.546875
end
basis "Br_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Br    S
      4.214014635008         0.16569202847
      2.412188698594        -0.476877193218
      0.39106702701          0.71029960203
      0.164674252704         0.362093036361
Br    S
      0.485599664697         0.145825877593
      0.074598994605         0.76808735869
Br    P
      1.789947253144        -0.207356828201
      1.292036187413         0.186107969204
      0.44938325216          0.332524333195
      0.194590167329         0.303778721054
Br    P
      0.122759759967         0.804134734196
      0.066738625731         1.3199195267
Br    D
      0.442438146643         1.158672768266
      0.245849018795         1.021366227819
end


ecp "Br_Grimme vDZP"
Br nelec 28
Br ul
2       1.0                    0.0
Br S
2       5.0218                61.513721
2       2.5109                 9.021493
Br P
2       4.2814                53.875864
2       2.1407                 4.629402
Br D
2       2.88                  20.849677
2       1.44                   2.965444
Br F
2       2.7207                -8.161493
end
basis "Kr_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Kr    S
      3.986511440636         0.290559957024
      2.943901744792        -0.516111029924
      0.429901866727         0.5649715867
      0.1518218389           0.272351694911
Kr    S
      0.334711812968         0.193054210335
      0.111745168911         0.897546361771
Kr    P
      2.153957686193        -0.178565423896
      1.283748685547         0.172715443611
      0.501685561731         0.400700715929
      0.237520267977         0.316528198613
Kr    P
      0.140113161172         0.940357138145
      0.089204908642         0.846922224775
Kr    D
      0.52630128531          1.174418328612
      0.203100266787         0.975302884833
end


ecp "Kr_Grimme vDZP"
Kr nelec 28
Kr ul
2       1.0                    0.0
Kr S
2       5.877718              73.9156939
2       3.084622              16.1682508
Kr P
2       5.16411               58.51769101
2       2.358302               8.25910073
Kr D
2       3.215362              33.45822776
2       1.285008               0.67725331
Kr F
2       4.082869             -15.15869859
2       1.19396               -0.17408825
Kr G
2       3.180775              -6.83315877
end
basis "Rb_Grimme vDZP" SPHERICAL 
#basis SET: (9s,7p,2d) -> [3s,2p,1d]
Rb    S
      3.869999599846         0.122319888582
      2.130904636104        -0.66684683108
      0.738002026783         0.418046906087
      0.409528742839         0.516121898223
Rb    S
      1.350580726758         0.441228993164
      0.672123461407        -0.180183191143
      0.215026040193         0.94098889721
Rb    S
      0.041727573698         0.194823232373
      0.018173085367         0.240784908108
Rb    P
      2.767410417511        -0.100991461056
      0.690279272515         0.52310211233
      0.272134686488         0.509586156257
      0.099861314223         0.105281356899
Rb    P
      0.483868425918        -0.021967319393
      0.064990339093         0.192198563244
      0.026344167036         0.254778803087
Rb    D
      0.482952908592         0.814918945654
      0.118599680126         1.160272481701
end


ecp "Rb_Grimme vDZP"
Rb nelec 28
Rb ul
2       1.96459997            -1.04400003
2       5.02349997           -12.26854706
2      12.31190014           -40.49360657
2      39.43920136           -92.1079483
1     116.43070221           -20.2508316
Rb S
2       2.29809999            50.81394196
2       2.66269994          -162.0473175
2       3.50929999           313.81082153
2       4.9698              -309.7545166
2       6.94840002           216.07606506
1      17.70389938            20.86063194
0      25.6602993              3.36120105
Rb P
2       2.02160001            45.412323
2       2.33979988          -145.47238159
2       3.0783999            283.1842041
2       4.3757              -305.10214233
2       6.15859985           207.65396118
1      16.77890015            12.15985012
0      16.61680031             5.39989424
Rb D
2       1.23380005            31.6827507
2       1.41939998          -100.62529755
2       1.83389997           186.52160645
2       2.54550004          -239.76072693
2       3.47009993           170.19052124
1      10.62069988             9.91743755
0       9.28610039             7.4106288
end
basis "Sr_Grimme vDZP" SPHERICAL 
#basis SET: (9s,7p,2d) -> [3s,2p,1d]
Sr    S
      1.692706637459        -0.393341748067
      1.149795785772         0.208407810148
      0.669131477932         0.410560473766
      0.248220076725         0.223568940036
Sr    S
      1.886266511407         0.403235193588
      0.400164390156        -0.077244774899
      0.087928617203         0.264020515846
Sr    S
      0.05944319681          1.173409533858
      0.028584686102         1.214114711178
Sr    P
      2.806647699305        -0.059210927424
      0.819376524702         0.263531483008
      0.348158267797         0.253839198083
      0.146003646962         0.054726018823
Sr    P
      0.935150498254        -0.009917943921
      0.087786356974         0.731454921275
      0.045420993133         0.227916283507
Sr    D
      0.6884063529           0.490903537712
      0.192704647015         0.763662684452
end


ecp "Sr_Grimme vDZP"
Sr nelec 28
Sr ul
2       2.23399997            -1.16187501
2       5.671                -13.3739996
2      13.8817997            -43.23659134
2      44.81060028          -100.09903717
1     132.90260315           -20.51813126
Sr S
2       2.4467001             53.58986664
2       2.8678              -172.08218384
2       3.86610007           345.5859375
2       5.66069984          -351.22171021
2       8.30790043           257.34286499
1      23.4951992             12.91709232
0      21.03380013             6.33449411
Sr P
2       2.20950007            49.15122604
2       2.58439994          -158.82582092
2       3.4684               320.08462524
2       5.06430006          -349.10769653
2       7.37960005           239.32991028
1      22.22710037            11.86419868
0      19.91810036             5.33859777
Sr D
2       1.4073                32.67572403
2       1.62419999          -103.22133636
2       2.11750007           193.27650452
2       2.97239995          -248.63302612
2       4.11800003           183.3956604
1      12.52390003            10.14631939
0      10.88269997             7.38135815
end
basis "Y_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Y    S
      0.674812957467         0.585665285488
      0.290353362618         0.292072052074
Y    S
      7.296549891946         0.195341789784
      2.688422185597        -1.838359171848
      2.177642572388         1.023950898895
      0.659090683583         0.677612516206
      0.318000313098         0.28680325376
Y    S
      0.061667823748         1.471139784374
      0.025673512214         0.43408928593
Y    P
      2.413073905893        -0.89610990135
      1.991118335445         0.920914883211
      0.644885028991         0.747249800994
      0.262158149515         0.358967578245
Y    P
      0.090251834443         1.587694599781
      0.038734540875         1.124989169808
Y    D
      2.640667082288        -0.051410329462
      1.37723169328          0.259691609738
      0.521170303505         0.647670134977
      0.191317945677         0.722772032171
Y    D
      0.066561171952         0.635575534061
      0.021058714013         0.213198852821
end


ecp "Y_Grimme vDZP"
Y nelec 28
Y ul
2       1.0                    0.0
Y S
2       7.488049             135.153844
2       3.744025              15.552441
Y P
2       6.445377              87.784992
2       3.222689              11.564066
Y D
2       4.658447              29.701001
2       2.329224               5.539968
Y F
2       6.584212             -19.122198
2       3.292106              -2.436375
end
basis "Zr_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Zr    S
      0.666118313328         0.610098372668
      0.382004929999         0.27936680172
Zr    S
      7.636755459435         0.225594387816
      3.059460604715        -2.021770934596
      2.734289469745         1.043987761524
      0.974030529831         0.649481513646
      0.321237768185         0.271978542754
Zr    S
      0.078638985037         1.573000069276
      0.030977707836         0.591169478729
Zr    P
      2.635304536716        -0.851203628339
      2.139701672965         0.892120469003
      0.701270261887         0.710477753317
      0.294117575826         0.292528213505
Zr    P
      0.153963461038         1.438560009408
      0.088262101191         0.995725387494
Zr    D
      3.201047577661        -0.038892498436
      1.485048727987         0.275692468196
      0.559574253517         0.646436509544
      0.196618868868         0.666536113423
Zr    D
      0.062451815401         0.649948004351
      0.020325928756         0.194809845607
end


ecp "Zr_Grimme vDZP"
Zr nelec 28
Zr ul
2       1.0                    0.0
Zr S
2       8.2                  150.267591
2       4.089728              18.976216
Zr P
2       7.11                  99.622124
2       3.596798              14.168733
Zr D
2       5.35                  35.045124
2       2.491821               6.111259
Zr F
2       7.54                 -21.093776
2       3.77                  -3.080694
end
basis "Nb_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Nb    S
      0.780972111614         0.609456624827
      0.468149789914         0.309910528963
Nb    S
      8.22690767237          0.173869214563
      5.258853938239         0.400716421611
      4.024909003           -1.292442883143
      1.195129963229         0.474286872382
      0.359665734464         0.272918985707
Nb    S
      0.084330299999         1.270848051253
      0.034918666624         0.591189631131
Nb    P
      2.871351590001        -0.873217473927
      2.280935596682         0.940543482261
      0.743551490746         0.760237258354
      0.298069250267         0.269556485513
Nb    P
      0.152595605504         1.401687661947
      0.068327454661         1.010582696646
Nb    D
      3.367880306345        -0.051672605872
      1.756564781302         0.284516251789
      0.658735017693         0.664232933582
      0.231059396397         0.658825321794
Nb    D
      0.072216226374         0.696966749733
      0.02480109992          0.196624147646
end


ecp "Nb_Grimme vDZP"
Nb nelec 28
Nb ul
2       1.0                    0.0
Nb S
2       8.9                  165.179143
2       4.43                  21.992974
Nb P
2       7.77                 111.794414
2       3.96                  16.633483
Nb D
2       6.05                  38.112249
2       2.84                   8.039167
Nb F
2       8.49                 -22.92955
2       4.25                  -3.66631
end
basis "Mo_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Mo    S
      0.778417996936         0.603632414429
      0.534172652813         0.30187130604
Mo    S
      9.67375251287          0.293639539791
      3.572282146733        -1.857614871108
      1.530849754894         1.224864128516
      0.631996839839         0.660456106153
      0.288839329473         0.296153352239
Mo    S
      0.087626525151         1.317087783672
      0.033562681859         0.580743179363
Mo    P
      3.093707673366        -0.826631577474
      2.403641873352         0.90067486079
      0.818240314903         0.711828517694
      0.336205879987         0.269489929318
Mo    P
      0.141936162003         1.303129589177
      0.051142057872         1.262881655764
Mo    D
      4.248706637709        -0.056047421983
      2.043076701133         0.260482078879
      0.819219599195         0.645891778457
      0.300623287176         0.680758170713
Mo    D
      0.099924939859         0.934167552489
      0.033837585352         0.225962855556
end


ecp "Mo_Grimme vDZP"
Mo nelec 28
Mo ul
2       1.0                    0.0
Mo S
2       9.714594             180.103108
2       4.6805                24.997228
Mo P
2       8.142137             123.772752
2       4.625986              19.530228
Mo D
2       6.618415              48.375022
2       3.248752               8.892053
Mo F
2       9.45                 -24.805177
2       4.72                  -4.153782
end
basis "Tc_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Tc    S
      1.003924527229         0.60161333202
      0.543013116325         0.295145009859
Tc    S
      8.734488231535         0.191829141563
      3.835899095068        -2.105775116524
      3.469751744685         1.518466647586
      0.967124516165         0.7322926856
      0.424182603993         0.274139633354
Tc    S
      0.088094236993         1.301256535828
      0.03368277486          0.537823653934
Tc    P
      3.405023984944        -0.854982996734
      2.564265074003         0.959319009575
      0.863581625172         0.828846615206
      0.337411029995         0.25514452607
Tc    P
      0.091795517667         1.101466987783
      0.029879282774         1.93711548462
Tc    D
      5.097732110758        -0.054667679941
      2.187138333162         0.264182410092
      0.976624475913         0.623831001407
      0.396051934959         0.663361650807
Tc    D
      0.148110040542         1.029802355721
      0.059688691595         0.261393560258
end


ecp "Tc_Grimme vDZP"
Tc nelec 28
Tc ul
2       1.0                    0.0
Tc S
2      10.422346             195.159166
2       5.036516              28.092603
Tc P
2       8.950449             135.284566
2       4.854439              21.806504
Tc D
2       6.945697              54.329729
2       3.970585              11.155068
Tc F
2      10.4                  -26.562447
2       5.2                   -4.585681
end
basis "Ru_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Ru    S
      1.064403045557         0.566761648709
      0.627779982819         0.30281158764
Ru    S
      9.69650048143          0.176368995944
      3.986490207677        -1.981311830052
      3.507270554217         1.413770781341
      1.044398638037         0.657254090853
      0.448751919987         0.252393374138
Ru    S
      0.101793183953         1.334893817716
      0.034776411982         0.605967167434
Ru    P
      3.763404295092        -0.859444471047
      2.770872457961         0.955526231776
      0.988572431005         0.893940245276
      0.408597854458         0.334564018189
Ru    P
      0.18768700429          1.566749185235
      0.051504739627         0.913525241281
Ru    D
      5.550032090322        -0.057846761038
      2.446355819382         0.253638478653
      1.073342025516         0.583490878354
      0.42938940489          0.58959213044
Ru    D
      0.165052645167         1.116296297183
      0.068844897289         0.265257106223
end


ecp "Ru_Grimme vDZP"
Ru nelec 28
Ru ul
2       1.0                    0.0
Ru S
2      11.105269             209.822971
2       5.414745              30.654726
Ru P
2       9.771271             146.336182
2       5.073991              24.127877
Ru D
2       7.671423              67.515897
2       4.136565               9.870104
Ru F
2      11.36                 -28.340616
2       5.68                  -4.944629
end
basis "Rh_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Rh    S
      1.120987885596         0.630953703067
      0.505354440197         0.263165934158
Rh    S
     10.612277159968         0.16850310246
      4.175711357562        -1.847338836606
      3.540198264706         1.311067350155
      1.054712457574         0.697993868303
      0.463476941827         0.185865531158
Rh    S
      0.107799055751         0.895058309015
      0.035593708316         0.457714131915
Rh    P
      3.915762760107        -1.15544593145
      3.214946272686         1.203030672069
      1.138390014316         0.792074916425
      0.483900206512         0.361955969996
Rh    P
      0.173801790703         1.467776545715
      0.058955083779         1.888699833975
Rh    D
      6.396827458805        -0.048409300225
      2.908324768342         0.267035530162
      1.367666120621         0.694020583366
      0.573074572998         0.792961890374
Rh    D
      0.215417984872         1.166151849377
      0.07469447562          0.264937531216
end


ecp "Rh_Grimme vDZP"
Rh nelec 28
Rh ul
2       1.0                    0.0
Rh S
2      11.72                 225.347754
2       5.82                  32.823189
Rh P
2      10.42                 158.709412
2       5.45                  26.4441
Rh D
2       8.82                  62.758626
2       3.87                  10.978719
Rh F
2      12.31                 -30.093456
2       6.16                  -5.218482
end
basis "Pd_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Pd    S
      1.151505961507         0.944652624868
      0.758022887254         0.204351049313
Pd    S
     11.26004220523          0.164097577056
      4.447554407937        -1.866722502527
      3.798950429913         1.359736862671
      1.125191239801         0.565530046178
      0.45255602926          0.188772887643
Pd    S
      0.114341106908         0.95443721994
      0.041622071605         0.471208585065
Pd    P
      4.280202330909        -1.177377340534
      3.258393937931         1.288735738708
      1.165454990282         1.060685702915
      0.48822109939          0.409953870721
Pd    P
      0.201275394801         1.77571712096
      0.057053584256         1.173935561093
Pd    D
      6.939335039037        -0.045626149466
      3.00413061016          0.311839410976
      1.365590049615         0.71805555738
      0.570518822592         0.709739345643
Pd    D
      0.235211306335         0.761544637626
      0.098548614743         0.252650801917
end


ecp "Pd_Grimme vDZP"
Pd nelec 28
Pd ul
2       1.0                    0.0
Pd S
2      12.43                 240.22904
2       6.170759              35.171943
Pd P
2      11.08                 170.417276
2       5.829554              28.472133
Pd D
2       9.51                  69.013845
2       4.139781              11.750862
Pd F
2      13.27                 -31.929554
2       6.63                  -5.398217
end
basis "Ag_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Ag    S
      1.168865294473         0.981239664457
      0.703892508518         0.301221440276
Ag    S
     11.137380185754         0.17011339409
      4.98968629394         -1.887735459567
      4.475920194052         1.434356812706
      1.201486343175         0.868528612669
      0.510392667886         0.192122601443
Ag    S
      0.109374172855         1.053993979072
      0.033776584003         0.411521983508
Ag    P
      4.55637268461         -1.202933355935
      3.513166261338         1.31329658885
      1.244794863986         1.036312910226
      0.512047738553         0.383294270449
Ag    P
      0.176416800129         0.973703560128
      0.052372032836         0.912910487489
Ag    D
      7.446453391764        -0.045685848836
      3.255927976164         0.334321217612
      1.458177385755         0.759037145474
      0.596305718479         0.729668743368
Ag    D
      0.229825513509         1.458004453308
      0.090151969871         0.269101010696
end


ecp "Ag_Grimme vDZP"
Ag nelec 28
Ag ul
2       1.0                    0.0
Ag S
2      13.13                 255.139365
2       6.51                  36.866122
Ag P
2      11.74                 182.181869
2       6.2                   30.357751
Ag D
2      10.21                  73.719261
2       4.38                  12.502117
Ag F
2      14.22                 -33.68992
2       7.11                  -5.53112
end
basis "Cd_Grimme vDZP" SPHERICAL 
#basis SET: (9s,6p,6d) -> [3s,2p,2d]
Cd    S
      1.055105987411         1.272808254083
      0.604148329306         0.229142637869
Cd    S
     12.017244504805         0.169339966251
      5.114217825559        -1.898543443118
      4.44694011543          1.450853794865
      1.216628349228         0.933523984483
      0.532052126747         0.193968463984
Cd    S
      0.146383394326         0.696754211201
      0.047046479439         0.358960905929
Cd    P
      4.757233246634        -1.076910687488
      3.86737240805          1.151779729705
      1.358823077137         0.72143213782
      0.577098779341         0.278790097257
Cd    P
      0.18236081583          0.804988419982
      0.062419275984         0.59819334598
Cd    D
      8.110020059042        -0.025222412807
      3.451726768569         0.21188529728
      1.581708281795         0.447542350487
      0.673407975664         0.41866816604
Cd    D
      0.272634468912         1.116448847886
      0.113339867322         0.175327136751
end


ecp "Cd_Grimme vDZP"
Cd nelec 28
Cd ul
2       1.0                    0.0
Cd S
2      13.835869             270.009483
2       6.85727               38.767308
Cd P
2      12.404971             193.829629
2       6.567799              31.896525
Cd D
2      10.896925              79.193647
2       4.641165              13.230827
Cd F
2      15.184796             -35.476626
2       7.592398              -5.617677
end
basis "In_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
In    S
      1.424753204835         0.195216369564
      0.967776518278        -0.390335918373
      0.189316580236         0.332066512393
      0.069682986693         0.481912204467
In    S
      0.262064023539         0.051928774476
      0.064458770986         0.801906317169
In    P
      1.810449027147         0.061344922403
      1.046643496682        -0.193157129825
      0.184987578096         0.458390096608
      0.071861619824         0.19415813093
In    P
      0.138098170856         0.104631733864
      0.041247580889         0.868493244912
In    D
      0.138242005138         0.573395637068
      0.079777300441         1.016219806155
end


ecp "In_Grimme vDZP"
In nelec 46
In ul
2       1.0                    0.0
In S
2       1.435091              29.165219
2       0.695805              -4.190806
In P
2       1.440832              36.990542
2       0.701392              -3.36582
In D
2       0.961236              20.000531
In F
2       0.884369              -6.019092
end
basis "Sn_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Sn    S
      2.40106207885          0.149527197103
      1.153316115528        -0.50278133236
      0.226914764388         0.515242159192
      0.110037948497         0.383620829459
Sn    S
      0.317225487215         0.157353145385
      0.061053997178         0.982405762325
Sn    P
      2.566898425488         0.055051200864
      1.499260435985        -0.169738769858
      0.227034747645         0.493183210725
      0.092179498934         0.327033786313
Sn    P
      0.173407347066         0.225606877021
      0.048674549711         2.065300464132
Sn    D
      0.241102386017         1.101090309967
      0.116551335998         1.4744657354
end


ecp "Sn_Grimme vDZP"
Sn nelec 46
Sn ul
2       1.0                    0.0
Sn S
2       1.969725              67.925347
2       0.972375              -7.478546
Sn P
2       1.99921               56.60288
2       0.999042              -2.161776
Sn D
2       0.500361               2.576336
Sn F
2       1.23088              -10.109253
end
basis "Sb_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Sb    S
      1.901291496434         0.372390986717
      1.449475120294        -0.589821664528
      0.255179663388         0.238020525012
      0.159557301375         0.282602074546
Sb    S
      0.355114126591         0.126701793951
      0.067393141859         1.046620800528
Sb    P
      2.375689851709         0.051122584238
      1.348062774398        -0.161075779289
      0.243744636819         0.405765152732
      0.107166990009         0.186486532978
Sb    P
      0.205419448722         0.140291569705
      0.062916291344         1.926934328503
Sb    D
      0.205284248872         1.923448831425
      0.161194685111         1.084075276779
end


ecp "Sb_Grimme vDZP"
Sb nelec 46
Sb ul
2       1.0                    0.0
Sb S
2       2.491091              68.427938
2       1.341575              -4.398631
Sb P
2       2.143864              63.965469
2       0.585503              -0.578726
Sb D
2       0.795401               7.803661
Sb F
2       1.609251             -14.517687
end
basis "Te_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Te    S
      2.083514130685         0.802285578371
      1.714507901604        -1.147432002317
      0.243721857039         0.709372799498
      0.13068137045          0.126965084683
Te    S
      0.315794405079         0.190600374708
      0.08822133124          0.836704224185
Te    P
      2.481012810644         0.073901692051
      1.399169205477        -0.238783627662
      0.229946308236         0.340455500866
      0.127434638298         0.247951299805
Te    P
      0.503816419435         0.919676716095
      0.056809623374         0.797571264542
Te    D
      0.192018182978         1.571397655653
      0.064437864854         0.969777509197
end


ecp "Te_Grimme vDZP"
Te nelec 46
Te ul
2       1.0                    0.0
Te S
2       2.923794              50.083805
2       1.152754               1.96814
Te P
2       2.603086             119.820702
2       0.985448              -2.039048
Te D
2       1.435019              37.757214
Te F
2       1.93927              -17.864641
end
basis "I_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
I    S
      2.467637755918         0.270191039383
      1.696928162357        -0.514853581902
      0.298836215328         0.446031974526
      0.139199227031         0.193993291432
I    S
      0.241437612793         0.214060325418
      0.078209906425         0.853326113661
I    P
      0.954417866049        -0.267890449748
      0.663589859519         0.29430719492
      0.236750134212         0.246021979653
      0.130584739507         0.138773377806
I    P
      0.229168242463         0.063105849732
      0.067220884629         2.030056520658
I    D
      0.327941623565         0.159626880427
      0.228514545922         1.064910731508
end


ecp "I_Grimme vDZP"
I nelec 46
I ul
2       1.0                    0.0
I S
2       3.5112                83.113863
2       1.7556                 5.201876
I P
2       2.9688                82.811109
2       1.4844                 3.379682
I D
2       1.9066                10.304277
2       0.9533                 7.588032
I F
2       2.3075               -21.477936
end
basis "Xe_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Xe    S
      2.755095924827         0.249896927023
      1.738312366995        -0.537631660732
      0.358046650467         0.489101738862
      0.142124603625         0.268006037727
Xe    S
      0.275478850221         0.19332270035
      0.100907057598         0.887859271842
Xe    P
      1.1178397193          -0.276367079429
      0.691267910074         0.32317875601
      0.279267713061         0.298358628779
      0.15595549886          0.226885229369
Xe    P
      0.265352026982         0.067336765896
      0.075892744312         1.830243781388
Xe    D
      0.402780208511         0.161378596156
      0.243632826926         1.043744835741
end


ecp "Xe_Grimme vDZP"
Xe nelec 46
Xe ul
2       1.0                    0.0
Xe S
2       3.940263             122.76382934
2       2.277264               8.30885115
Xe P
2       3.028373              68.82300437
2       1.394319               3.64674223
Xe D
2       2.122605              23.65207854
2       0.798669               3.25844113
Xe F
2       6.16436              -47.70319876
2       1.542374              -6.54113991
Xe G
2       1.847892              -7.1058506
end
basis "Cs_Grimme vDZP" SPHERICAL 
#basis SET: (9s,7p,2d) -> [3s,2p,1d]
Cs    S
      2.172433323343         0.093944897136
      1.213559429867        -0.574876851884
      0.913074181038         0.380293350663
      0.31388049818          0.275539125878
Cs    S
      1.294434390251        -0.246882008315
      1.088756263514         0.352493537018
      0.141990201906         1.013884420396
Cs    S
      0.110486818629         0.142948191575
      0.021036226155         0.289955177474
Cs    P
      1.296612062813        -0.158205270387
      0.511587649506         0.411480813114
      0.201550092329         0.414262558281
      0.065338478075         0.072302175823
Cs    P
      0.299675722332        -0.097355523294
      0.063470843305         0.070064297558
      0.029363753532         0.660221576187
Cs    D
      0.288013152964         1.13041770831
      0.094776153263         0.956697547107
end


ecp "Cs_Grimme vDZP"
Cs nelec 46
Cs ul
2       0.93849999            -0.78916699
2       2.31629992            -8.42115784
2       6.0072999            -30.98544312
2      20.37969971           -95.03477478
1      59.32889938           -30.0796032
Cs S
2       1.38530004            42.85466766
2       1.63240004          -138.00901794
2       2.20580006           275.99960327
2       3.22149992          -280.45663452
2       4.64960003           199.82038879
1      15.15250015            27.73096657
0      19.00049973             3.76870608
Cs P
2       1.25950003            48.66250992
2       1.44169998          -145.70526123
2       1.87639999           264.46368408
2       2.65750003          -279.85159302
2       3.63870001           184.35585022
1      10.65320015            23.30001831
0      14.68060017             5.76792908
Cs D
2       0.76810002            34.8607254
2       0.87459999          -106.79302979
2       1.10769999           188.23532104
2       1.48230004          -217.6399231
2       1.92019999           137.74559021
1       6.21829987            34.42418671
0      17.38809967             7.19875193
end
basis "Ba_Grimme vDZP" SPHERICAL 
#basis SET: (9s,7p,2d) -> [3s,2p,1d]
Ba    S
      2.165224439573         0.172126972669
      1.563606663015        -0.412498520678
      0.468388660094         0.403433792501
      0.182490630329         0.153935914977
Ba    S
      0.969811881199         0.332173932718
      0.438335807571        -0.09359871281
      0.051413927514         0.275829475814
Ba    S
      0.038420685468         0.348249206633
      0.034827156628         1.049222993274
Ba    P
      1.246867677258        -0.090713352176
      0.619719104166         0.186065346861
      0.31472219197          0.053345917338
      0.218214872641         0.124038886456
Ba    P
      0.888823238004        -0.009266901736
      0.112339424956         0.520029153739
      0.048917251542         0.294753654056
Ba    D
      0.376362798375         0.740747300068
      0.122678391091         0.544085547842
end


ecp "Ba_Grimme vDZP"
Ba nelec 46
Ba ul
2       0.97610003            -0.88013703
2       2.66910005           -10.01861763
2       7.10550022           -35.70346451
2      24.84989929          -114.57715607
1      75.09850311           -30.99500656
Ba S
2       1.51549995            52.1855011
2       1.80079997          -166.64633179
2       2.46210003           336.98910522
2       3.64910007          -346.60510254
2       5.34859991           229.66429138
1      17.15789986            20.49417496
0      16.02389908             6.64949989
Ba P
2       1.35119998            61.51347351
2       1.55149996          -171.17402649
2       2.06870008           303.61636353
2       3.00740004          -324.1267395
2       4.23050022           210.71342468
1      14.21850014            19.11876488
0      13.10439968             5.8450222
Ba D
2       0.89740002            34.92659378
2       1.02090001          -109.23178864
2       1.28859997           196.23254395
2       1.7385              -224.63766479
2       2.28509998           146.97143555
1       7.33769989            37.01747894
0      20.39410019             7.09744883
end
basis "La_Grimme vDZP" SPHERICAL 
#basis SET: (8s,6p,6d) -> [3s,2p,2d]
La    S
      0.57954611927          0.937709515416
      0.290509752938         1.164367331351
La    S
      2.961518815289         0.344436595849
      2.116898887325        -0.6246222761
      0.521152464968         0.515127237675
      0.230069398586         0.246218458006
La    S
      0.048916762584         1.105995776925
      0.018604737481         0.464967111858
La    P
      3.245245643206         0.17676909446
      2.470890435412        -0.332713646676
      0.545303856973         0.526757519263
      0.216537966689         0.336610767661
La    P
      0.033299369099         1.044022672845
      0.006745724156         0.067353901679
La    D
      1.509848815606        -0.091622463451
      0.743009875436         0.179196344423
      0.339879135044         0.48542746759
      0.137512286533         0.463167031971
La    D
      0.060432252241         0.866616108693
      0.021446771088         0.436873072386
end


ecp "La_Grimme vDZP"
La nelec 46
La ul
2       1.0                    0.0
La S
2       3.3099                91.932177
2       1.655                 -3.788764
La P
2       2.8368                63.759486
2       1.4184                -0.647958
La D
2       2.0213                36.116173
2       1.0107                 0.219114
La F
2       4.0286               -36.010016
end
basis "Ce_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Ce    S
      2.3387082694           0.13042319193
      1.3219380599          -0.94540743539
      0.93665343051          0.57866012997
      0.43317450783          0.19922843248
Ce    S
      0.78716138519          0.61399977932
      0.25614102871          0.9749447329
Ce    S
      0.042862440378         1.4500446039
      0.019521352708         0.34746965573
Ce    P
      2.2197749338           0.19603088989
      2.0189125071          -0.32025752375
      0.59208736304          0.40620759267
      0.27715890834          0.24351774688
Ce    P
      0.15606258029          1.0
Ce    D
      1.0842213855          -0.014352880349
      0.44854017505          0.58846622273
      0.15196094511          0.14755321786
Ce    D
      0.1395492592           1.5393440079
      0.040874025783         0.36900964488
Ce    F
     34.145399262            0.032170509402
     12.065428998            0.14007121521
      4.4501112056           0.28422046329
      1.6764032296           0.34240233416
      0.65208463631          0.12381738303
Ce    F
      0.5451993973           0.89984480505
      0.16190740048          0.9668492074
end


ecp "Ce_Grimme vDZP"
Ce nelec 46
Ce ul
1       9.2074793            -15.3487561
1       1.8673012             -5.8432395
Ce S
2       1.8937013           -255.562383
2       1.9791486            307.313928
0      10.7429697             10.6699017
Ce P
0       7.7559298             12.2292109
2       1.8156413            124.942466
2       1.6716472            -84.5999868
Ce D
2       1.7064205             24.9446755
0       6.4893374             10.286144
end
basis "Pr_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Pr    S
      3.1689846518           0.17163109833
      1.6678907168          -0.9958382338
      0.81218612542          0.2724584503
      0.60152924495          0.15242165492
Pr    S
      0.9038753521           0.65750424867
      0.30118917715          0.5424674354
Pr    S
      0.062615656705         0.95951157448
      0.022405546382         0.28985082359
Pr    P
      2.4821081369           0.2034006122
      2.2573819967          -0.34095322639
      0.68556585041          0.45313355506
      0.3871446691           0.087858983753
Pr    P
      0.220381064            1.0
Pr    D
      1.0025332158          -0.019351122016
      0.75022354094          0.59802933685
      0.22932905332          0.13854490351
Pr    D
      0.20567375317          0.68433658929
      0.046531823684         0.19128774083
Pr    F
     40.23288193             0.039727695667
     14.439096901            0.18597356832
      5.6668242318           0.36484675429
      2.4378732553           0.39320298318
      1.0498273953           0.15185236161
Pr    F
      1.1559046069           0.64943344381
      0.36718486505          0.73833521094
end


ecp "Pr_Grimme vDZP"
Pr nelec 46
Pr ul
1       9.8297286            -15.4435219
1       1.9807008             -5.8961128
Pr S
2       2.1295558           -223.643982
2       2.2274655            278.134515
0       7.2837196             12.6210718
Pr P
0       7.8092804             12.525639
2       1.9297786            121.952782
2       1.7647892            -79.4047512
Pr D
2       1.7979743             26.1926652
0       6.5480515              9.8739121
end
basis "Nd_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Nd    S
      2.3994452311           0.33005251961
      1.6828843243          -1.0878120063
      0.98814172882          0.22802643482
      0.20892020623          0.19056875363
Nd    S
      1.1272987979           0.7211201341
      0.48928449185          0.803593302
Nd    S
      0.024303840698         0.50486238891
      0.013029609227         0.61269624181
Nd    P
      2.324735346            0.17014791696
      2.0562191456          -0.35517864681
      0.69782906294          0.57219729171
      0.50919467939          0.085761284929
Nd    P
      0.23546913951          1.0
Nd    D
      1.0745772989          -0.017620186217
      0.47206210362          0.70820315528
      0.20001586337          0.16864766654
Nd    D
      0.14261726432          0.5208905929
      0.057631923663         0.18061005361
Nd    F
     46.847185945            0.030502424037
     17.019304283            0.15310458698
      6.798621254            0.31687680631
      2.8870915631           0.40686652959
      1.1089822042           0.16639626932
Nd    F
      1.2617947307           0.58596675664
      0.3887640083           0.61199823094
end


ecp "Nd_Grimme vDZP"
Nd nelec 46
Nd ul
1      10.4297884            -15.4830044
1       2.0922913             -5.9483337
Nd S
2       2.2247856           -219.47084
2       2.3445959            280.528928
0      11.857983              11.762325
Nd P
0       9.4430645             11.4361217
2       1.9894908            120.335356
2       1.7980545            -75.7819643
Nd D
2       1.8885505             27.3830713
0       6.6436655              9.6174105
end
basis "Pm_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Pm    S
      2.9304283389           0.35717715422
      1.9274984936          -1.1701191543
      0.77254891437          0.23006833621
      0.16984309946          0.18382815901
Pm    S
      1.0620211133           0.22984322387
      0.44306165634          0.64038534886
Pm    S
      0.047080341941         0.56694520729
      0.020131076829         0.95173018826
Pm    P
      2.5264095581           0.18635062123
      2.1828823784          -0.35938323404
      0.67834529941          0.5739361922
      0.36842227341          0.20324099471
Pm    P
      0.21745202643          1.0
Pm    D
      1.1759376249          -0.019615039553
      0.43743803798          0.6844955435
      0.21286751789          0.13880279941
Pm    D
      0.11223743237          0.34613829811
      0.029513406922         0.26373925997
Pm    F
     49.70802267             0.030656850946
     17.966438036            0.15467589903
      7.1020805851           0.33065482216
      2.9081425099           0.44445096865
      1.2156063143           0.27056890143
Pm    F
      0.87975604481          0.56228042605
      0.3598055982           0.72234081803
end


ecp "Pm_Grimme vDZP"
Pm nelec 46
Pm ul
1      11.1067084            -15.5867557
1       2.2104479             -6.0120346
Pm S
2       2.2736531           -215.581787
2       2.4050295            277.534042
0      10.764731              11.5598012
Pm P
0       9.853977              10.3366646
2       2.0762689            121.467693
2       1.8649349            -74.876644
Pm D
2       1.9779822             28.4861104
0       6.6732942              9.2809058
end
basis "Sm_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Sm    S
      3.198468986            0.38870099316
      2.0546383957          -1.2966724226
      0.82422222266          0.22776680729
      0.16016847729          0.17283307905
Sm    S
      0.94660988489          0.28694846973
      0.42826340683          0.67162063994
Sm    S
      0.055236922625         0.59959512081
      0.024617411607         0.91217910521
Sm    P
      2.5131240788           0.1913101697
      2.2371889004          -0.36139913837
      0.69782770455          0.57566387177
      0.38056570145          0.17549893329
Sm    P
      0.22562301428          1.0
Sm    D
      0.92653512511         -0.017463655728
      0.5193628927           0.58599759407
      0.22109803651          0.16764874679
Sm    D
      0.15430482491          0.3119456386
      0.053900115632         0.23554680276
Sm    F
     50.128022078            0.032967782994
     18.164742527            0.15842286061
      7.1835027162           0.3258391458
      2.9627541067           0.42163720622
      1.2321409767           0.2517208085
Sm    F
      0.93057739827          0.5319397525
      0.37279789011          0.76357516248
end


ecp "Sm_Grimme vDZP"
Sm nelec 46
Sm ul
1      11.7581239            -15.6586201
1       2.328083              -6.053765
Sm S
2       2.3777661           -206.067266
2       2.5247159            270.342598
0      10.2643898             11.4449044
Sm P
0      10.0054236             10.6951007
2       2.2012412            121.877228
2       1.9680928            -72.7883903
Sm D
2       2.0672044             29.52394
0       6.712889               9.037177
end
basis "Eu_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Eu    S
      3.3450599057           0.37597016675
      2.075574062           -1.4051317768
      0.94042698165          0.23250560461
      0.18167465041          0.19260813349
Eu    S
      1.0521663341           0.32760603173
      0.4429262655           0.64365988055
Eu    S
      0.061414092824         0.58823078916
      0.031784177184         0.93060951333
Eu    P
      2.4956340085           0.19416454017
      2.2925067156          -0.3567479431
      0.72059130792          0.56742806498
      0.38614252682          0.17026311834
Eu    P
      0.22937458805          1.0
Eu    D
      0.96494660921         -0.016327079928
      0.49732776274          0.71435560855
      0.21250337204          0.16484802692
Eu    D
      0.15545285857          0.31774982666
      0.058419430722         0.21065628727
Eu    F
     51.095384126            0.035305949222
     18.473596326            0.1623351367
      7.346815898            0.32454359514
      3.059653733            0.40921509681
      1.2736886573           0.26775595752
Eu    F
      0.88197183184          0.50698616691
      0.38129255347          0.85365765095
end


ecp "Eu_Grimme vDZP"
Eu nelec 46
Eu ul
1      12.4183539            -15.7244799
1       2.4475585             -6.0910737
Eu S
2       2.5038284           -196.637738
2       2.6692641            264.103449
0      10.3673824             11.8069802
Eu P
0      10.1341831             10.9380601
2       2.3243994            128.160269
2       2.0833749            -76.5153276
Eu D
2       2.1543894             30.4673264
0       6.6937973              8.7412269
end
basis "Gd_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Gd    S
      4.0000191043           0.33348723416
      2.1957313895          -1.4849420231
      0.96524115435          0.24940190681
      0.16224818741          0.18415002783
Gd    S
      1.0983677094           0.33221994084
      0.43254827062          0.52453041521
Gd    S
      0.064209408826         0.60391215603
      0.033870628205         0.92946853335
Gd    P
      2.4278731108           0.19806767763
      2.3117798231          -0.35798393193
      0.73970340991          0.57800647237
      0.36672522184          0.18977860839
Gd    P
      0.22782861457          1.0
Gd    D
      0.91766730388         -0.016219993919
      0.52946179464          0.68715206026
      0.22126640027          0.19493359072
Gd    D
      0.15079118258          0.31710911401
      0.055406934975         0.21924464248
Gd    F
     52.70289185             0.037944092036
     18.968629359            0.17295048686
      7.4837616368           0.33929663526
      3.1245511413           0.40924409208
      1.297917258            0.26643251896
Gd    F
      0.88233678739          0.51658546481
      0.38448457937          0.87332889639
end


ecp "Gd_Grimme vDZP"
Gd nelec 46
Gd ul
1      13.0950908            -15.786726
1       2.5697386             -6.1277781
Gd S
2       2.7022652           -137.902125
2       2.9334774            208.96454
0       9.8508096             16.8586936
Gd P
0      10.2562012             11.1308343
2       2.4527321            131.651321
2       2.1969343            -77.4443008
Gd D
2       2.2471692             31.4664118
0       6.4306437              8.3450729
end
basis "Tb_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Tb    S
      3.2013865052           0.41189426737
      2.1267844157          -1.506935953
      0.99909749503          0.2545350567
      0.1574174495           0.11799077794
Tb    S
      1.0236270537           0.34011076987
      0.43069780159          0.45488890028
Tb    S
      0.06997489899          0.69864329621
      0.032940990975         0.74038600919
Tb    P
      2.0739895714          -0.34359567373
      1.8284712686           0.21536218534
      0.77572676902          0.49067793548
      0.38409137145          0.25608742635
Tb    P
      0.21791571092          1.0
Tb    D
      0.8251717582          -0.015782273999
      0.60015408099          0.51582418239
      0.23945754209          0.21993027658
Tb    D
      0.17084029452          0.33934451181
      0.066393296853         0.17961758229
Tb    F
     56.589558964            0.038014387935
     20.155230196            0.17979384807
      7.8203605529           0.36211159816
      3.1788828887           0.4319096317
      1.2899183111           0.25425567044
Tb    F
      0.94281835642          0.52428332737
      0.37516816582          0.77464190837
end


ecp "Tb_Grimme vDZP"
Tb nelec 46
Tb ul
1      13.784988             -15.8408081
1       2.6938669             -6.1667847
Tb S
2       2.6181735           -140.103224
2       2.890418             215.289935
0      17.0489713             11.6812337
Tb P
0      10.1253314             11.1216213
2       2.5657038            139.657131
2       2.3083484            -83.3098221
Tb D
2       2.3260333             32.1217679
0       6.593118               8.2233626
end
basis "Dy_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Dy    S
      3.0776389723           0.47400905998
      2.1445169032          -1.5715433837
      1.0325248606           0.25187264116
      0.1498848555           0.11599759842
Dy    S
      1.1879184925           0.37184131404
      0.43996446544          0.43980183214
Dy    S
      0.049122676587         0.66288936087
      0.020927956353         0.75873320773
Dy    P
      2.2820497635          -0.33536496558
      2.1499867941           0.21298737795
      0.77851373963          0.4698087529
      0.37521934267          0.25103279117
Dy    P
      0.19993955442          1.0
Dy    D
      0.83265033401         -0.016672954384
      0.58650564812          0.57258552581
      0.24967987537          0.22009189433
Dy    D
      0.18010507726          0.34458238353
      0.065825970099         0.19150260462
Dy    F
     57.861342453            0.038972875107
     20.635393825            0.18104524639
      8.0045353656           0.35942466479
      3.2264495561           0.42336034677
      1.2941751713           0.25632664459
Dy    F
      0.88116557002          0.49689480385
      0.33975442159          0.78637909844
end


ecp "Dy_Grimme vDZP"
Dy nelec 46
Dy ul
1      14.4905817            -15.897237
1       2.8210513             -6.199394
Dy S
2       2.739081            -130.004348
2       3.0493471            208.636024
0      16.574733              11.4854666
Dy P
0      10.6943601             11.6223813
2       2.7405583            125.415782
2       2.4112346            -65.8203828
Dy D
2       2.4096137             32.7977269
0       6.4958825              7.9802314
end
basis "Ho_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Ho    S
      3.2158552876           0.43591531252
      2.254633264           -1.4090579195
      0.92667846446          0.23681295904
      0.19797869591          0.11385953179
Ho    S
      1.0745846867           0.34915970893
      0.43361307953          0.29579910052
Ho    S
      0.053966343732         0.57870669379
      0.021991634871         0.80371336456
Ho    P
      2.2767405467          -0.30991942462
      1.8756894341           0.22243338525
      0.76935184508          0.48361700903
      0.34246701503          0.28262061093
Ho    P
      0.18955952108          1.0
Ho    D
      0.72308636599         -0.014022935559
      0.63626720479          0.5190606185
      0.23493178317          0.24475528163
Ho    D
      0.17948595604          0.33830353714
      0.073557821351         0.17902178771
Ho    F
     60.830053758            0.038490576289
     21.588065934            0.18191061031
      8.2504794114           0.36599238535
      3.2756194865           0.41519599717
      1.2805817632           0.2234329735
Ho    F
      1.0618587711           0.56092980862
      0.3780533638           0.8666344786
end


ecp "Ho_Grimme vDZP"
Ho nelec 46
Ho ul
1      15.2141408            -15.9516588
1       2.9512492             -6.2316257
Ho S
2       2.8474568           -110.583011
2       3.224216             192.701733
0      16.1561881             11.3546865
Ho P
0       9.9260833             10.8427433
2       2.8623072            116.52006
2       2.4724492            -55.661098
Ho D
2       2.4911551             33.3424906
0       6.3510091              7.7300492
end
basis "Er_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Er    S
      3.3000081943           0.44991244311
      2.2614561848          -1.6169298743
      0.90114200876          0.24366030559
      0.1851290172           0.11606060753
Er    S
      1.2348312221           0.31075956047
      0.4351011141           0.23329509247
Er    S
      0.039648759574         0.78382314559
      0.036670951258         0.6352003835
Er    P
      2.3276436679          -0.30138478098
      1.8534928835           0.22804162477
      0.77433880133          0.45930788677
      0.36133227744          0.28550770707
Er    P
      0.18644851729          1.0
Er    D
      0.90025331301         -0.017255084799
      0.64509890662          0.519588132
      0.17116558621          0.25155677131
Er    D
      0.17720273728          0.37544355179
      0.063204717631         0.19440429807
Er    F
     66.650276003            0.038515010289
     23.862873532            0.18521559367
      9.4132698678           0.37123792692
      3.9037034559           0.44213974925
      1.6282188005           0.29704122502
Er    F
      0.96418158841          0.51526017964
      0.41737404054          0.67987974824
end


ecp "Er_Grimme vDZP"
Er nelec 46
Er ul
1      15.9596531            -16.0043582
1       3.0850582             -6.2650947
Er S
2       3.0361853           -150.367002
2       3.3525348            236.197756
0      16.03924               11.4164611
Er P
0      11.0463463             11.8925358
2       3.0179911            130.543501
2       2.6472718            -65.6922988
Er D
2       2.5700876             33.7318076
0       6.1656407              7.4886891
end
basis "Tm_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Tm    S
      3.5299519677           0.44003000313
      2.3732647525          -1.6761471506
      0.85973269378          0.24401560537
      0.18899427271          0.12618149018
Tm    S
      1.2377147              0.3535249522
      0.43788333056          0.25713837625
Tm    S
      0.056601467736         0.75159110295
      0.034452658435         0.66543541299
Tm    P
      2.3894150386          -0.29879897111
      1.8556000572           0.23183918701
      0.80665788883          0.46577279262
      0.36431735727          0.30356272475
Tm    P
      0.18967969622          1.0
Tm    D
      0.84210408156         -0.016821641435
      0.64269388942          0.52527576112
      0.17420558842          0.25494058909
Tm    D
      0.18537620534          0.38613395267
      0.066999787462         0.18596000119
Tm    F
     69.09863982             0.039780930603
     24.622398191            0.18915006104
      9.6705849641           0.37748622137
      3.9676759584           0.44713272983
      1.6026915739           0.30538309036
Tm    F
      0.86298295525          0.53920991053
      0.3871353991           0.66033025316
end


ecp "Tm_Grimme vDZP"
Tm nelec 46
Tm ul
1      16.7243554            -16.0553617
1       3.222162              -6.2983294
Tm S
2       3.183383            -143.245953
2       3.5353147            233.195538
0      16.1601392             11.6109444
Tm P
0       2.4637824              7.3961903
2       2.7219436            119.572429
2       2.4955288            -84.0174453
Tm D
2       2.6436164             33.841167
0       5.8942635              7.2335009
end
basis "Yb_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Yb    S
      4.1297665092           0.31414103734
      2.3674906697          -1.896766067
      0.80665022026          0.22577143216
      0.20227385008          0.10988539866
Yb    S
      1.4384281891           0.33435468094
      0.45855181128          0.22326091906
Yb    S
      0.060105436712         0.71957909349
      0.035482632702         0.64341395549
Yb    P
      2.4716593143          -0.29512519332
      1.8609936686           0.23739957024
      0.82348541164          0.45729260059
      0.36751090136          0.35124266533
Yb    P
      0.17137331504          1.0
Yb    D
      0.80514347151         -0.017580695087
      0.49818496545          0.50734627089
      0.18318772548          0.27057439096
Yb    D
      0.048692800777         0.23063487892
      0.00206531387          0.29786485737
Yb    F
     69.918468598            0.041342514961
     24.947950088            0.19255135085
      9.765463162            0.3767743806
      4.0111516816           0.42959973401
      1.6359822957           0.29306679321
Yb    F
      0.88539119885          0.5466262086
      0.42739330834          0.73386406646
end


ecp "Yb_Grimme vDZP"
Yb nelec 46
Yb ul
1      17.512319             -16.1049751
1       3.3631306             -6.3327796
Yb S
2       3.2998844           -106.506399
2       3.7717709            201.149552
0      16.6344917             12.0100167
Yb P
0       2.655442               7.5965914
2       2.8385458            119.649347
2       2.5988023            -82.7046964
Yb D
2       2.710265              34.1713269
0       6.2642419              7.2748623
end
basis "Lu_Grimme vDZP" SPHERICAL 
#basis SET: (8s,5p,5d,7f) -> [3s,2p,2d,2f]
Lu    S
      3.9977029162           0.45744168018
      2.7092619889          -1.5401338356
      0.90262598006          0.24551822923
      0.19709983436          0.10348695822
Lu    S
      1.249815976            0.31254327822
      0.46548004801          0.23449197377
Lu    S
      0.080960274419         0.62470713752
      0.04748530233          0.62452618808
Lu    P
      2.5814640098          -0.29720840337
      1.9763119042           0.25005587464
      0.83520709609          0.45065984604
      0.35641388942          0.30545914112
Lu    P
      0.1564217645           1.0
Lu    D
      0.91706262949         -0.017339228386
      0.57277520315          0.50361027373
      0.16819103334          0.24844309076
Lu    D
      0.086838737228         0.3114946276
      0.038900529418         0.21744992663
Lu    F
     73.095465952            0.042169444125
     26.023715946            0.1959114794
     10.230613237            0.38032428371
      4.1822552002           0.43722238823
      1.6563744695           0.29799664853
Lu    F
      0.82684021373          0.49303740626
      0.49764936538          0.84288616292
end


ecp "Lu_Grimme vDZP"
Lu nelec 46
Lu ul
1      18.3204365            -16.1520038
1       3.5079785             -6.3676682
Lu S
2       3.342248             -71.3171705
2       4.0050941            169.401393
0      16.1809521             11.8861154
Lu P
0       2.7211067              7.7193406
2       2.9820045            116.107363
2       2.7148008            -78.1786284
Lu D
2       2.7757117             33.9119252
0       5.8938013              7.0187101
end
basis "Hf_Grimme vDZP" SPHERICAL 
#basis SET: (8s,6p,6d) -> [3s,2p,2d]
Hf    S
      0.76484435102          1.70746897791
      0.290339685115         0.519137602207
Hf    S
      5.745263913265         0.27639850538
      3.894142553735        -0.839898489463
      3.121027335851         0.474240430954
      0.635496702086         0.158777918809
Hf    S
      0.082091325177         1.958910571765
      0.025505481057         0.408538141346
Hf    P
      8.047349756152         0.134374727878
      5.35315490533         -0.304612877776
      0.989731302776         0.607862566692
      0.373084955619         0.433934935433
Hf    P
      0.042930780688         1.371306677174
      0.018204544818         0.809563007668
Hf    D
      3.43068625591         -0.067789549648
      1.284638756596         0.283064494075
      0.433718517572         0.619508023969
      0.150295851218         0.390710591201
Hf    D
      0.072503797491         0.794719269255
      0.027061821278         0.342285689082
end


ecp "Hf_Grimme vDZP"
Hf nelec 60
Hf ul
2       1.0                    0.0
Hf S
2      14.769959            1499.284711
2       7.384979              40.282101
Hf P
2       9.84949              397.733005
2       4.924745              19.316406
Hf D
2       6.096756             101.329805
2       3.048378               5.873438
Hf F
2       1.78577               10.046723
Hf G
2       2.6324                -9.558244
end
basis "Ta_Grimme vDZP" SPHERICAL 
#basis SET: (8s,6p,6d) -> [3s,2p,2d]
Ta    S
      0.805972319842         1.688246848358
      0.268930532034         0.379133660479
Ta    S
      5.963803707657         0.279364073058
      3.961116677799        -0.850260809206
      3.085766632618         0.479568840294
      0.665808701395         0.193394187367
Ta    S
      0.086553429743         2.59526352922
      0.027791157335         0.533383099437
Ta    P
      8.182904208394         0.136625206869
      5.41901072773         -0.31709105015
      1.080897305362         0.587463210567
      0.427101858969         0.435988981255
Ta    P
      0.123665166522         1.348117857613
      0.074631391466         0.779829286766
Ta    D
      3.938780857951        -0.057900768529
      1.367499138219         0.225894545813
      0.629935945405         0.379219030762
      0.27309240786          0.508381938982
Ta    D
      0.099925683041         0.812911312187
      0.037943852635         0.332399580288
end


ecp "Ta_Grimme vDZP"
Ta nelec 60
Ta ul
2       1.0                    0.0
Ta S
2      14.546408            1345.880647
2       7.273204              36.766806
Ta P
2       9.935565             378.425301
2       4.967782              22.293091
Ta D
2       6.347377             104.883956
2       3.173688               8.755848
Ta F
2       2.017881              12.017961
Ta G
2       3.04033              -11.728933
end
basis "W_Grimme vDZP" SPHERICAL 
#basis SET: (8s,6p,6d) -> [3s,2p,2d]
W    S
      0.841444067228         1.644909883363
      0.271780212684         0.409568828017
W    S
      6.106125947092         0.277025340819
      4.127702570212        -0.844730321999
      3.27497081733          0.483142244883
      0.733004472901         0.158006598997
W    S
      0.100331812736         1.869589815121
      0.029632732761         0.528929932062
W    P
      8.2855535298           0.157354211889
      5.615678187579        -0.352854952607
      1.158573046813         0.61242093489
      0.467617380312         0.446722978433
W    P
      0.13727062766          0.964875039887
      0.082293678701         0.246586455905
W    D
      4.192126847007        -0.054899215601
      1.448413562415         0.216997892231
      0.626627825114         0.432982414411
      0.249124670225         0.423123825902
W    D
      0.097421390343         1.090266290688
      0.036447054814         0.478789058281
end


ecp "W_Grimme vDZP"
W nelec 60
W ul
2       1.0                    0.0
W S
2      14.322856            1192.395882
2       7.161428              32.522933
W P
2      10.021641             359.031967
2       5.01082               24.03038
W D
2       6.597997             108.301349
2       3.298999              10.982528
W F
2       2.258888              14.152579
W G
2       3.46411              -14.056435
end
basis "Re_Grimme vDZP" SPHERICAL 
#basis SET: (8s,6p,6d) -> [3s,2p,2d]
Re    S
      0.941081734619         1.881764103129
      0.272712355739         0.42934114177
Re    S
      6.488782003396         0.257736215445
      4.217568459632        -0.82287562007
      3.26287942822          0.479067032833
      0.754784222831         0.203147240894
Re    S
      0.111126860141         2.2553222264
      0.040009355137         1.259531768378
Re    P
      7.520497681685         0.496927359844
      6.498258506185        -0.676809195328
      1.216427394186         0.572364689927
      0.495158438289         0.396340498872
Re    P
      0.13618644147          4.165341545653
      0.082441357688         0.908639271543
Re    D
      4.424276090621        -0.075416964612
      1.537528643872         0.289740692768
      0.720850710433         0.511674499486
      0.312377703413         0.543026746807
Re    D
      0.122723095719         0.419130234729
      0.050344645461         0.124831357094
end


ecp "Re_Grimme vDZP"
Re nelec 60
Re ul
2       1.0                    0.0
Re S
2      14.099305            1038.951572
2       7.049653              29.561738
Re P
2      10.107717             339.54351
2       5.053858              24.913696
Re D
2       6.848618             111.699653
2       3.424309              12.624329
Re F
2       2.508651              16.449852
Re G
2       3.901245             -16.50112
end
basis "Os_Grimme vDZP" SPHERICAL 
#basis SET: (8s,6p,6d) -> [3s,2p,2d]
Os    S
      0.974401985901         1.704276404135
      0.337099880208         0.419939365808
Os    S
      6.589301521031         0.262324014895
      4.483410826406        -0.824151542759
      3.5987847476           0.488236883338
      0.830482873892         0.14895928985
Os    S
      0.119371477901         1.190416170712
      0.040334652774         0.415098407891
Os    P
      8.018868508095         0.366991980684
      6.516333088213        -0.572512459986
      1.298661604992         0.6343997445
      0.53704700806          0.437296123703
Os    P
      0.163425595329         2.846863530709
      0.046752457019         0.349464207023
Os    D
      4.562022886893        -0.075845399099
      1.70049817042          0.262012418274
      0.783963505481         0.489253051009
      0.333034419339         0.480607051003
Os    D
      0.128320311421         1.946527751776
      0.05149469001          0.29134173289
end


ecp "Os_Grimme vDZP"
Os nelec 60
Os ul
2       1.0                    0.0
Os S
2      13.875754             885.405719
2       6.937877              25.96704
Os P
2      10.193793             320.083902
2       5.096896              26.148765
Os D
2       7.099238             115.044843
2       3.549619              13.622575
Os F
2       2.767075              18.909457
Os G
2       4.349905             -19.027595
end
basis "Ir_Grimme vDZP" SPHERICAL 
#basis SET: (8s,6p,6d) -> [3s,2p,2d]
Ir    S
      1.023793770162         1.457427286127
      0.309199315635         0.281543512886
Ir    S
      6.990696480869         0.238565941294
      4.657628826621        -0.8244257419
      3.822133240323         0.507613356927
      0.888825622345         0.119157387695
Ir    S
      0.127967479426         1.171391362467
      0.040088560933         0.521901566386
Ir    P
      8.689088185082         0.243119322841
      6.577366558565        -0.444544360607
      1.356413354364         0.645655248595
      0.544928093624         0.402704630432
Ir    P
      0.140794381741         0.983202269789
      0.048851626916         0.53570840216
Ir    D
      4.665178664686        -0.081060285159
      1.806050424121         0.274531805989
      0.787394625251         0.509312962011
      0.321373987554         0.421907340162
Ir    D
      0.1216252992           1.542032145949
      0.049105698957         0.215355952279
end


ecp "Ir_Grimme vDZP"
Ir nelec 60
Ir ul
2       1.0                    0.0
Ir S
2      13.652203             732.2692
2       6.826101              26.484721
Ir P
2      10.279868             299.489474
2       5.139934              26.466234
Ir D
2       7.349859             124.457595
2       3.674929              14.035995
Ir F
2       3.034072              21.531031
Ir G
2       4.808857             -21.607597
end
basis "Pt_Grimme vDZP" SPHERICAL 
#basis SET: (8s,6p,6d) -> [3s,2p,2d]
Pt    S
      1.027769770519         1.543816333192
      0.89582716952          0.276175320568
Pt    S
      7.679412615881         0.230877908692
      4.709087759587        -0.861654782814
      3.645313517688         0.541904557353
      0.953420950841         0.472553125277
Pt    S
      0.13955529741          1.211933971063
      0.04934052287          0.547971738045
Pt    P
      8.289144538801         0.712848039607
      7.316311140271        -0.940414367671
      1.449109980349         0.710309776673
      0.609243388052         0.456919979943
Pt    P
      0.193683119741         2.292500144336
      0.044166144409         0.224210089383
Pt    D
      4.910332949872        -0.079625149422
      1.938691426506         0.267813136394
      0.864747561557         0.492535757006
      0.35733228363          0.41503650157
Pt    D
      0.137946336644         2.006060038467
      0.050242829695         0.262075608301
end


ecp "Pt_Grimme vDZP"
Pt nelec 60
Pt ul
2       1.0                    0.0
Pt S
2      13.428651             579.223861
2       6.714326              29.669491
Pt P
2      10.365944             280.860774
2       5.182972              26.745382
Pt D
2       7.600479             120.396444
2       3.80024               15.810921
Pt F
2       3.309569              24.314376
Pt G
2       5.277289             -24.218675
end
basis "Au_Grimme vDZP" SPHERICAL 
#basis SET: (8s,6p,6d) -> [3s,2p,2d]
Au    S
      1.244532317707         1.102769284388
      0.309885825329         0.343912022063
Au    S
      8.482247329754         0.229037007166
      5.008887371391        -0.907405209082
      3.953463080432         0.532729463041
      1.016674280753         0.288719412142
Au    S
      0.147596397487         1.099367153402
      0.047719646781         0.522674919172
Au    P
      8.831554690513         0.509475138022
      7.566282794345        -0.72107477636
      1.506700409832         0.698388067412
      0.61282269307          0.409074097606
Au    P
      0.176221965082         2.730273272472
      0.061994012169         1.122895118562
Au    D
      5.149888373979        -0.076940684362
      2.038287817758         0.26614848884
      0.89801720686          0.479912521191
      0.362635858492         0.377471368469
Au    D
      0.138458740562         2.462111180979
      0.046715591266         0.250738248974
end


ecp "Au_Grimme vDZP"
Au nelec 60
Au ul
2       1.0                    0.0
Au S
2      13.2051               426.846679
2       6.60255               37.007083
Au P
2      10.45202              261.19958
2       5.22601               26.962496
Au D
2       7.8511               124.790666
2       3.92555               16.300726
Au F
2       4.78982               30.490089
2       2.39491                5.171074
end
basis "Hg_Grimme vDZP" SPHERICAL 
#basis SET: (8s,6p,6d) -> [3s,2p,2d]
Hg    S
      1.37780305999          1.72210639436
      0.381440671172         0.250455726703
Hg    S
      9.562300229367         0.181250771129
      5.07939553202         -0.869350443981
      3.982850471475         0.486376181267
      0.961127400893         0.258983305153
Hg    S
      0.172351434399         1.100334941673
      0.063943840693         0.677823980347
Hg    P
      9.893101932495         0.218067320959
      7.423812439662        -0.420280763099
      1.600738605984         0.669305658396
      0.652677096183         0.386781925502
Hg    P
      0.183498087066         2.466433663901
      0.064592858638         1.561759630522
Hg    D
      5.315692442902        -0.07857415291
      2.245554598474         0.243559945187
      1.001947266394         0.451151800485
      0.413902886479         0.345923827411
Hg    D
      0.167213642564         2.300779412806
      0.067098161686         0.210685863765
end


ecp "Hg_Grimme vDZP"
Hg nelec 60
Hg ul
2       1.0                    0.0
Hg S
2      12.981549             275.737212
2       6.490774              49.089212
Hg P
2      10.538096             241.540074
2       5.269048              27.396591
Hg D
2       8.101721             127.867008
2       4.05086               16.608312
Hg F
2       3.885791              30.364996
Hg G
2       6.240955             -29.473118
end
basis "Tl_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Tl    S
      1.505313049428         0.313662634995
      0.926406638906        -0.722746145099
      0.195472441877         0.634249265129
      0.07919757154          0.616447338532
Tl    S
      0.179423367042         0.144781868221
      0.072061846216         0.890059337687
Tl    P
      1.340445390895         0.090978395301
      0.866604785093        -0.259543806887
      0.217123440967         0.362159556277
      0.091408672799         0.365315709408
Tl    P
      0.591817274684         0.018848049794
      0.043682496425         1.416103944518
Tl    D
      0.117314837048         0.604178245689
      0.05445903625          0.886013825833
end


ecp "Tl_Grimme vDZP"
Tl nelec 78
Tl ul
2       1.0                    0.0
Tl S
2       0.326238              -1.016498
2       1.977541              51.707959
2      10.0                   73.186683
Tl P
2       0.543063              -2.962673
2       1.03214               19.730431
Tl D
2       0.354817               2.77269
2       0.709633              -3.979439
Tl F
2       0.689156              -4.426786
Tl G
2       0.820617             -12.27054
end
basis "Pb_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Pb    S
      1.341753004241         0.775578610898
      1.105497689546        -1.202765308935
      0.211699001507         0.723705670622
      0.129547855691         0.256761268066
Pb    S
      0.549706034009         0.131886387067
      0.063284849518         1.510485987615
Pb    P
      1.414803989187         0.15275010408
      1.024069215145        -0.288877125439
      0.186029005782         0.437219972839
      0.082796300988         0.118522273753
Pb    P
      0.33108826958          0.201768239863
      0.046482916169         3.75048882023
Pb    D
      0.200493671996         0.835023372291
      0.088262123032         1.095405604994
end


ecp "Pb_Grimme vDZP"
Pb nelec 78
Pb ul
2       1.0                    0.0
Pb S
2       0.529161              -1.873342
2       1.456727              20.860797
2       9.999911              97.587955
Pb P
2       0.678119              -7.768209
2       1.249013              51.719254
Pb D
2       0.307446               1.30076
2       0.74493                2.640822
Pb F
2       0.848699              -5.706056
Pb G
2       0.999941              -7.484184
end
basis "Bi_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Bi    S
      1.59845235496          0.090505383135
      1.024031934201        -0.505556064927
      0.211694361874         0.733716856593
      0.188315325223         0.112026081947
Bi    S
      0.302425752233         0.209510573559
      0.08499405207          0.597248589405
Bi    P
      1.494708346058         0.395953810643
      1.254367409879        -0.565931848387
      0.207175316033         0.63855902244
      0.075039529988         0.141797873604
Bi    P
      0.199985131181         0.116806624587
      0.06237321552          3.086007117955
Bi    D
      0.125642967394         1.009438999376
      0.092809453349         0.739934271101
end


ecp "Bi_Grimme vDZP"
Bi nelec 78
Bi ul
2       1.0                    0.0
Bi S
2       0.161152              -0.161988
2       1.509835              14.03169
2      10.0                  122.047401
Bi P
2       0.76049               -6.188526
2       1.426415              51.045868
Bi D
2       0.780226              20.535804
2       0.260075              -0.136196
Bi F
2       0.973608              -6.414226
Bi G
2       1.088195              -6.656064
end
basis "Po_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Po    S
      1.899315412209         0.398802099258
      1.330205684309        -0.819810438961
      0.295449029905         0.530266670623
      0.199451922422         0.183432964269
Po    S
      0.315025299523         0.224516411804
      0.104988411226         0.818764958809
Po    P
      1.611909638782         0.155499395899
      1.099867763114        -0.399122211489
      0.206617899935         0.547783019859
      0.120990132583         0.207180326062
Po    P
      0.471197704174         0.778854060703
      0.062603532297         1.066397923226
Po    D
      0.165433941928         0.960300261731
      0.062674049116         0.786318229414
end


ecp "Po_Grimme vDZP"
Po nelec 78
Po ul
2       1.0                    0.0
Po S
2       0.922386              -4.159304
2       1.781915              33.830354
2      10.0                  146.339101
Po P
2       0.724291              -4.125311
2       1.36386               35.007078
Po D
2       0.476979               1.206518
2       0.953957              13.356125
Po F
2       1.075454              -6.775174
Po G
2       1.122096              -5.515441
end
basis "At_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
At    S
      1.924148580749         0.525856661156
      1.346688705121        -1.067720621131
      0.359439113226         0.638723774762
      0.18878211668          0.50295381784
At    S
      0.436733046143         0.086926389554
      0.086660202651         0.943503262571
At    P
      2.082544353701         0.062574676624
      1.160295712623        -0.258455276224
      0.350563463518         0.458257809303
      0.160220695112         0.515683272949
At    P
      0.191314694381         0.104704037336
      0.069240934858         0.929284118241
At    D
      0.286195490906         0.174109793764
      0.168758025833         1.048978368888
end


ecp "At_Grimme vDZP"
At nelec 78
At ul
2       1.0                    0.0
At S
2       0.922386              -5.528461
2       1.781915              39.568869
2      10.0                  170.711386
At P
2       0.724291              -2.295387
2       1.36386               25.49292
At D
2       0.635972               4.865107
2       1.271943              14.579413
At F
2       1.154108              -6.857867
At G
2       1.345115              -7.613039
end
basis "Rn_Grimme vDZP" SPHERICAL 
#basis SET: (6s,6p,2d) -> [2s,2p,1d]
Rn    S
      1.974019782555         0.658758503133
      1.478356500621        -1.204012936389
      0.338292719593         0.976772343385
      0.138050661999         0.215247233371
Rn    S
      0.239238522409         0.078556974413
      0.11515673444          1.15223879818
Rn    P
      1.866046112655         0.255378767651
      1.572334840818        -0.377681250068
      0.317716247096         0.531475806749
      0.141239873985         0.285072318557
Rn    P
      0.200353951276         0.101799470336
      0.077190057936         0.881907208554
Rn    D
      0.33306555802          0.245718887909
      0.214108626479         1.219897201244
end


ecp "Rn_Grimme vDZP"
Rn nelec 78
Rn ul
2       1.0                    0.0
Rn S
2       0.922386              -5.019005
2       1.781915              37.03679
2      10.804601             195.103308
Rn P
2       0.724291              -1.966481
2       1.36386               23.464059
Rn D
2       0.7694                 7.483457
2       1.5388                 9.3619
Rn F
2       1.213897              -6.76315
Rn G
2       1.576469              -9.915662
end
