# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# def2-mTZVPP-RIJ version number 1
# Description: def2-mTZVPP RI-J basis for r2SCAN-3c method
# Role: jfit
# 
#  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-Ar,Fe
#      def2-mTZVPP RI-J basis for r2SCAN-3c method
#          grimme2021a
# 
# 
# 
# grimme2021a
#     Grimme, Stefan, Hansen, Andreas, Ehlert, Sebastian, Mewes, Jan-Michael
#     r2SCAN-3c: A “Swiss army knife” composite electronic-structure method
#     J. Chem. Phys. 154, 064103 (2021)
#     10.1063/5.0040021
# 
# # 
basis "H_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (5s,2p,1d) -> [3s,1p,1d]
H    S
     15.675292700            0.18688600000E-01
      3.6063578000           0.63167000000E-01
      1.2080016000           0.12046090000
H    S
      0.47267940000          0.59248500000E-01
H    S
      0.20181000000          0.51272000000E-02
H    P
      2.0281365000           1.0000000000
      0.53587300000          1.0000000000
H    D
      2.0195480000           1.0000000000
end
basis "He_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (4s,2p,1d) -> [2s,2p,1d]
He    S
     37.393930000            0.10996705500
      6.9866900000           0.37520477300
      1.9234450000           0.41847746100
He    S
      0.62875700000          0.10809876000
He    P
      3.6002168588          -0.35547432600E-01
He    P
      1.5000903500          -0.30523941900E-01
He    D
      4.0                    1.0
end
basis "Li_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (8s,2p,2d) -> [6s,2p,2d]
Li    S
    149.12312700             0.98102142000E-01
     39.446008000            0.31413604200
     11.643267000            0.79482170100
Li    S
      3.7966760000           0.71564873300
Li    S
      1.3478240000           0.12072400200
Li    S
      0.51083800000         -0.16607289800E-01
Li    S
      0.20180100000          0.13008360100E-01
Li    S
      0.80859000000E-01      0.35118324400E-01
Li    P
      0.37786400000          0.61941276600E-02
Li    P
      0.15955400000         -0.16714519700E-01
Li    D
      0.56049300000          0.84695530600E-04
Li    D
      0.23737800000          0.13050434300E-02
end
basis "Be_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (8s,2p,2d) -> [6s,2p,2d]
Be    S
    192.46203100             0.22849991200
     60.770566000            0.50407020800
     20.401151000            1.2546941200
Be    S
      7.2222550000           1.1204238900
Be    S
      2.6699950000           0.21171185100
Be    S
      1.0193150000          -0.83870901200E-01
Be    S
      0.39692000000          0.10149228500
Be    S
      0.15559700000          0.92338001800E-01
Be    P
      3.7342510000          -0.33555930700E-01
Be    P
      1.1130260000           0.10778400900E-01
Be    D
      0.91871400000         -0.41589058700E-02
Be    D
      0.35568200000         -0.30892777100E-01
end
basis "B_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (8s,3p,3d) -> [6s,3p,3d]
B    S
    284.82680000             0.36195832900
     84.010592000            0.89362082300
     26.364919000            2.0986505600
B    S
      8.7312190000           1.3449459800
B    S
      3.0213380000          -0.38086140000E-01
B    S
      1.0801440000           0.34137440200E-01
B    S
      0.39399000000          0.29943604400
B    S
      0.14468900000          0.37616928100E-01
B    P
      1.2229760000          -0.17675020900E-01
B    P
      0.49485300000         -0.77234583400E-02
B    P
      0.20879300000         -0.43175216200E-01
B    D
      2.4018980000           0.34346756000E-01
B    D
      0.76449700000          0.56173626900E-01
B    D
      0.25749400000          0.21633955200E-01
end
basis "C_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (8s,3p,3d) -> [6s,3p,3d]
C    S
    459.70238600             0.43184479100
    132.95779200             1.1181169600
     41.565817000            2.7373541400
C    S
     13.915561000            1.9396315700
C    S
      4.9305290000          -0.42756388800E-02
C    S
      1.8229480000           0.30720805300E-01
C    S
      0.69205100000          0.52082846600
C    S
      0.26509300000          0.12487514200
C    P
      1.9710183160           0.22198600500E-01
C    P
      0.78683365909          0.13441968800E-02
C    P
      0.32784735795          0.53190985100E-01
C    D
      4.0133010000           0.52468412700E-01
C    D
      1.2475050000           0.80267825200E-01
C    D
      0.40814800000          0.29636167300E-01
end
basis "N_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (8s,3p,3d) -> [6s,3p,3d]
N    S
    680.54253000             0.50257896200
    196.75621400             1.3247898800
     61.270793000            3.4140611100
N    S
     20.364463000            2.6503410200
N    S
      7.1424770000          -0.30130261700E-02
N    S
      2.6080260000           0.12287191200
N    S
      0.97637300000          0.81803157200
N    S
      0.36863300000          0.19429463900
N    P
      2.8300840347           0.35545572100E-01
N    P
      1.1297740658          -0.22505550600E-01
N    P
      0.47073919407          0.67405747100E-01
N    D
      5.8329865000           0.41604040300E-01
N    D
      1.7326865000           0.11059698000E-01
N    D
      0.54524250000          0.48407961900E-01
end
basis "O_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (8s,3p,3d) -> [6s,3p,3d]
O    S
    896.10357000             0.59760749700
    269.72523200             1.5358077900
     85.615077000            4.0470231300
O    S
     28.445035000            3.4984208300
O    S
      9.8069810000          -0.24387498700E-01
O    S
      3.4747220000           0.32147717800
O    S
      1.2519210000           1.1625987000
O    S
      0.45361300000          0.25268306900
O    P
      3.6956296840          -0.58551078600E-01
O    P
      1.4753012711           0.41799959400E-01
O    P
      0.61470886295         -0.85578439300E-01
O    D
      7.6526720000           0.88298462700E-01
O    D
      2.2178680000           0.11926244900
O    D
      0.68233700000          0.44873891700E-01
end
basis "F_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (8s,3p,4d) -> [6s,3p,4d]
F    S
   1076.7207230              0.74037086300
    339.02963900             1.8216609200
    110.58743900             4.7216121700
F    S
     37.165087000            4.2986189800
F    S
     12.791453000           -0.71321010800E-01
F    S
      4.4797670000           0.57770736300
F    S
      1.5855700000           1.5851255500
F    S
      0.56319300000          0.33667623100
F    P
      4.7315641513          -0.61129876400E-01
F    P
      1.8888479646           0.33982152600E-01
F    P
      0.78701998526         -0.47325473900E-01
F    D
     23.185570000           -0.41064211800E-01
F    D
      6.6824830000          -0.13327013100
F    D
      2.1676770000          -0.12350251900
F    D
      0.73384900000         -0.31950391400E-01
end
basis "Ne_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (8s,3p,3d) -> [6s,3p,3d]
Ne    S
   1273.3057180              0.89624204900
    414.74795000             2.1345373600
    138.15585800             5.4324395800
Ne    S
     46.890369000            5.1244767700
Ne    S
     16.152052000           -0.13343711900
Ne    S
      5.6237160000           0.89830505300
Ne    S
      1.9707620000           2.0952333800
Ne    S
      0.69212900000          0.44196115000
Ne    P
      5.9230406000           0.33397476800E-02
Ne    P
      2.3644872000          -0.99150354300E-02
Ne    P
      0.98520300000          0.74434583100E-02
Ne    D
     11.643272000           -0.13683458900E-02
Ne    D
      3.4973642000           0.19105760800E-02
Ne    D
      1.1102743000          -0.31626662600E-02
end
basis "Na_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (14s,5p,5d) -> [8s,4p,4d]
Na    S
   3754.9468758              0.3681280
   1406.4560878              0.6386505
    543.4611528              2.1314027
    216.2389118              4.4341952
     88.4180110              6.0193186
     37.0700801              2.6066659
     15.8976971             -0.6617046
Na    S
      6.9557845              1.0910786
Na    S
      3.0964156              2.3362969
Na    S
      1.3983233              0.9741825
Na    S
      0.6386578              0.0619929
Na    S
      0.2940844             -0.0076913
Na    S
      0.1360866              0.0263452
Na    S
      0.0630775              0.0027263
Na    P
     19.2914768              0.0091163
      5.8156595             -0.0286151
Na    P
      1.7285804              0.0155463
Na    P
      0.5094901              0.0133567
Na    P
      0.1497524             -0.0194810
Na    D
     14.0911593              0.0025046
      3.9826616              0.0012793
Na    D
      1.3285602             -0.0023986
Na    D
      0.4969388             -0.0006677
Na    D
      0.1937075              0.0049815
end
basis "Mg_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (14s,5p,5d) -> [8s,4p,4d]
Mg    S
   4618.7144348              0.4062037
   1715.8572368              0.7248204
    660.3662172              2.4015050
    262.7772421              5.0268089
    107.8796646              6.8807535
     45.5809298              3.0930185
     19.7676678             -0.8061330
Mg    S
      8.7738606              1.2834607
Mg    S
      3.9730763              2.9682392
Mg    S
      1.8294222              1.2081584
Mg    S
      0.8535432             -0.0228789
Mg    S
      0.4020431              0.0060268
Mg    S
      0.1904672              0.0852479
Mg    S
      0.0904075              0.0238626
Mg    P
      4.2335270             -0.0089796
      1.3598327              0.0169486
Mg    P
      0.5026752             -0.0127300
Mg    P
      0.2043109              0.0127291
Mg    P
      0.0858908              0.0069646
Mg    D
     15.3639340              0.0072298
      3.9275269              0.0022521
Mg    D
      1.1824901             -0.0081411
Mg    D
      0.3985299              0.0134364
Mg    D
      0.1398822              0.0062003
end
basis "Al_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (14s,5p,5d) -> [8s,4p,3d]
Al    S
   4875.9816108              0.5248525
   1839.4838989              0.8958282
    715.5582316              2.9427043
    286.4958622              5.9976464
    117.8265577              7.7609764
     49.6666399              2.8641690
     21.4066429             -1.0464290
Al    S
      9.4098725              2.2627888
Al    S
      4.2071557              3.6026980
Al    S
      1.9077330              0.8061044
Al    S
      0.8747225             -0.1790388
Al    S
      0.4042979              0.1555884
Al    S
      0.1877731              0.1366505
Al    S
      0.0873510              0.0104116
Al    P
     10.9820947              0.0163880
      3.3106913             -0.0029350
Al    P
      0.9840322             -0.0059291
Al    P
      0.2900384              0.0303071
Al    P
      0.0852498              0.0068614
Al    D
     21.5501974              0.0114463
      5.9277503              0.0082803
      1.8822054             -0.0133523
Al    D
      0.6586442              0.0135944
Al    D
      0.2385982              0.0185676
end
basis "Si_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (14s,5p,5d,2f) -> [8s,4p,3d,1f]
Si    S
   5826.7657660              0.5677983
   2173.1214409              1.0118069
    839.4966509              3.2799844
    335.2659622              6.7361713
    138.1170978              8.6949143
     58.5516054              3.2431556
     25.4744274             -1.2520738
Si    S
     11.3418415              2.6706099
Si    S
      5.1513356              4.3474757
Si    S
      2.3788654              0.8729007
Si    S
      1.1130498             -0.3244603
Si    S
      0.5257427              0.2956979
Si    S
      0.2497578              0.1946885
Si    S
      0.1188768              0.0318632
Si    P
      8.7836931              0.0242245
      2.6158248             -0.0153268
Si    P
      0.8266040              0.0061588
Si    P
      0.2711487              0.0428066
Si    P
      0.0900870              0.0015544
Si    D
     10.8892767              0.0240593
      2.6605925             -0.0189904
      0.8067528              0.0242108
Si    D
      0.2859848              0.0317147
Si    D
      0.1074329              0.0020599
Si    F
      0.8103816              0.88216000000E-02
      0.1988529              0.20248000000E-02
end
basis "P_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (14s,5p,5d,2f) -> [8s,4p,3d,1f]
P    S
   7402.6405628              0.6312551
   2444.3806296              1.0410015
   1031.0485275              3.5177235
    387.5215861              7.8577024
    159.3342518              9.3323916
     72.5438912              3.5808385
     29.2976155             -1.1039880
P    S
     13.1685047              2.8706692
P    S
      6.4235268              4.9937953
P    S
      3.1479365              1.2003750
P    S
      1.4941282             -0.4895877
P    S
      0.6745215              0.3794973
P    S
      0.3252877              0.3625040
P    S
      0.1527285              0.0512179
P    P
     10.6100703              0.0333958
      3.3972489             -0.0239301
P    P
      1.0821336              0.0194214
P    P
      0.3436265              0.0184052
P    P
      0.1090044              0.0008768
P    D
      5.5575593              0.0066400
      2.6033240             -0.0123559
      1.2378589              0.0087029
P    D
      0.5939646              0.0072180
P    D
      0.2858732             -0.0025575
P    F
      1.0262041              0.10466100000E-01
      0.2959414              0.38742000000E-02
end
basis "S_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (14s,5p,5d,2f) -> [8s,4p,3d,1f]
S    S
   7399.0303145              0.7227933
   2710.1675859              1.3706745
   1034.3279062              4.3217500
    410.4645411              8.7624644
    168.9762502             10.5289909
     71.9687889              3.0836598
     31.6172683             -1.5821203
S    S
     14.2796836              4.4920092
S    S
      6.6060948              5.6247567
S    S
      3.1181477              0.2331133
S    S
      1.4954039             -0.4527401
S    S
      0.7254779              0.6731617
S    S
      0.3544216              0.4015653
S    S
      0.1735525              0.0610369
S    P
     12.6998799              0.0457971
      4.4295784             -0.0394968
S    P
      1.5232889              0.0357338
S    P
      0.5194667             -0.0040859
S    P
      0.1766547             -0.0036880
S    D
     16.8546461              0.0263236
      5.0810461             -0.0190773
      1.5102323              0.0213668
S    D
      0.4451331              0.0219369
S    D
      0.1308362              0.0016925
S    F
      1.0809860              1.0000000000
      0.4161474              1.0000000000
end
basis "Cl_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (14s,5p,5d,2f) -> [8s,4p,3d,1f]
Cl    S
   8044.2766240              0.8306605
   2924.5123954              1.6146203
   1110.8168739              5.0051398
    439.9050761              9.9863273
    181.1987287             11.3443970
     77.4148302              2.6726629
     34.1977273             -1.6043227
Cl    S
     15.5648397              5.7539291
Cl    S
      7.2707873              6.0638907
Cl    S
      3.4711900             -0.3199326
Cl    S
      1.6860808             -0.3947320
Cl    S
      0.8293125              0.9334036
Cl    S
      0.4110124              0.4864175
Cl    S
      0.2042190              0.0781778
Cl    P
     12.2564993              0.0563086
      4.8922575             -0.0563007
Cl    P
      1.9265460              0.0469222
Cl    P
      0.7525989             -0.0071758
Cl    P
      0.2932189             -0.0162325
Cl    D
     28.4370504             -0.0265404
      7.2772298              0.0134848
      2.3111621             -0.0136452
Cl    D
      0.8580943             -0.0131608
Cl    D
      0.3376227             -0.0045372
Cl    F
      1.2035685              1.0000000000
      0.4700000              1.0000000000
end
basis "Ar_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (14s,5p,5d,2f) -> [8s,4p,3d,1f]
Ar    S
   9188.5309157              0.8877141
   3279.0428273              1.8231585
   1227.6297914              5.6127323
    481.1823792             11.2156190
    196.9697695             12.2962961
     83.9606192              2.3552090
     37.1435409             -1.5769042
Ar    S
     16.9892190              7.1038677
Ar    S
      8.0003093              6.4548370
Ar    S
      3.8606959             -0.9952810
Ar    S
      1.8996439             -0.1889378
Ar    S
      0.9480149              1.2108212
Ar    S
      0.4771798              0.5527940
Ar    S
      0.2408781              0.0788216
Ar    P
     14.10                   0.0563086
      5.63                  -0.0563007
Ar    P
      2.22                   1.0
Ar    P
      0.87                   1.0
Ar    P
      0.34                   1.0
Ar    D
     32.70                  -0.0265404
      8.37                   0.0134848
      2.66                  -0.0136452
Ar    D
      0.99                   1.0
Ar    D
      0.39                   1.0
Ar    F
      1.38000                1.0
      0.54000                1.0
end
basis "Fe_def2-mTZVPP-RIJ" SPHERICAL 
#basis SET: (19s,5p,5d,3f,3g) -> [8s,5p,5d,2f,3g]
Fe    S
  22231.1675350              1.5463792
  10088.6252560              0.5616730
   4961.4420234              4.8306560
   2333.9778892              7.2162778
   1195.0581566             13.7667481
    605.7548994             17.3953035
    312.9849847             13.5974545
    146.2270422             -0.1052884
     73.1574429             -1.5186939
     37.1905224             16.4954218
     18.7270618             11.2685887
      9.8648356             -5.1127291
Fe    S
      4.9921254              1.3183030
Fe    S
      2.5312760              4.6550254
Fe    S
      1.2321766              1.3101855
Fe    S
      0.6265715              0.1513152
Fe    S
      0.3212932              0.0845107
Fe    S
      0.1627967              0.0694777
Fe    S
      0.0808724              0.0157801
Fe    P
     19.0489263             -0.0062879
Fe    P
      5.1364325             -0.0049488
Fe    P
      1.3971534              0.0270354
Fe    P
      0.3820476             -0.0123603
Fe    P
      0.1046543              0.0199595
Fe    D
     13.4494385             -0.0256685
Fe    D
      4.6650265             -0.0262829
Fe    D
      1.5953692             -0.0486537
Fe    D
      0.5410331             -0.0025964
Fe    D
      0.1829694              0.0085806
Fe    F
      4.4300720             -0.0066965
      0.6208564              0.0038112
Fe    F
      0.0884909             -0.0000953
Fe    G
     11.9744409             -0.0555001
Fe    G
      3.6312678             -0.0560530
Fe    G
      1.0943052             -0.0150572
end
