# BSE Version v0.8.6
# Data downloaded at 2019-10-24T11:58
# aug-cc-pwcvtz-dk version number 0
# Description: VTZ2P   All-electron Douglas-Kroll Core-Valence Triple Zeta + Polarization
# Role: orbital
# 
# ********************************************************************************
# If you downloaded data from the basis set
# exchange or used the basis set exchange python library, please cite:
# ********************************************************************************
#     Pritchard, Benjamin P., Altarawy, Doaa, Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     Manuscript in preparation
# 
#     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
# 
#     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
# ********************************************************************************
# Sc-Zn
#     ## cc-pwCVTZ-DK
#     Balabanov, Nikolai B., Peterson, Kirk A.
#     Systematically convergent basis sets for transition metals. I. All-
#             electron correlation consistent basis sets for the 3d elements
#             Sc-Zn
#     J. Chem. Phys., 123, 064107 (2005)
#     10.1063/1.1998907
# 
#     ## aug-cc-pVTZ-DK Diffuse
#     Balabanov, Nikolai B., Peterson, Kirk A.
#     Systematically convergent basis sets for transition metals. I. All-
#             electron correlation consistent basis sets for the 3d elements
#             Sc-Zn
#     J. Chem. Phys., 123, 064107 (2005)
#     10.1063/1.1998907
# 
# Y-Pd
#     ## cc-pwCVTZ-DK
#     Peterson, Kirk A., Figgen, Detlev, Dolg, Michael, Stoll, Hermann
#     Energy-consistent relativistic pseudopotentials and correlation
#             consistent basis sets for the 4d elements Y-Pd
#     J. Chem. Phys., 126, 124101 (2007)
#     10.1063/1.2647019
# 
#     ## aug-cc-pVTZ-DK Diffuse
#     Peterson, Kirk A., Figgen, Detlev, Dolg, Michael, Stoll, Hermann
#     Energy-consistent relativistic pseudopotentials and correlation
#             consistent basis sets for the 4d elements Y-Pd
#     J. Chem. Phys., 126, 124101 (2007)
#     10.1063/1.2647019
# 
# # 
basis "Sc_aug-cc-pwcvtz-dk" 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Sc    S
2715278.0000000              0.0001060
 406598.4000000              0.0003170
  92530.0400000              0.0009050
  26207.9200000              0.0024640
   8549.4290000              0.0067800
   3085.9750000              0.0186790
   1203.1720000              0.0494180
    498.4869000              0.1172100
    216.7360000              0.2280410
     97.8747600              0.3098720
     45.2043300              0.2175500
     20.2118700              0.0724860
      9.5747510              0.1159500
      4.5403460              0.1166380
      1.9956870              0.0198230
      0.9422150             -0.0004880
      0.4178450              0.0001830
      0.0957610             -0.0000700
      0.0513510              0.0000630
Sc    S
2715278.0000000             -0.0000610
 406598.4000000             -0.0001820
  92530.0400000             -0.0005200
  26207.9200000             -0.0014170
   8549.4290000             -0.0039120
   3085.9750000             -0.0108530
   1203.1720000             -0.0291550
    498.4869000             -0.0716000
    216.7360000             -0.1504450
     97.8747600             -0.2435420
     45.2043300             -0.2334530
     20.2118700              0.0449970
      9.5747510              0.4960340
      4.5403460              0.4848560
      1.9956870              0.0875670
      0.9422150             -0.0052830
      0.4178450              0.0006420
      0.0957610             -0.0006970
      0.0513510              0.0005790
Sc    S
2715278.0000000              0.0000120
 406598.4000000              0.0000360
  92530.0400000              0.0001020
  26207.9200000              0.0002800
   8549.4290000              0.0007740
   3085.9750000              0.0021630
   1203.1720000              0.0058830
    498.4869000              0.0148870
    216.7360000              0.0331320
     97.8747600              0.0602850
     45.2043300              0.0674590
     20.2118700             -0.0250150
      9.5747510             -0.2708040
      4.5403460             -0.4320030
      1.9956870              0.0764930
      0.9422150              0.7030970
      0.4178450              0.4425890
      0.0957610              0.0281380
      0.0513510             -0.0122190
Sc    S
2715278.0000000             -0.0000030
 406598.4000000             -0.0000090
  92530.0400000             -0.0000250
  26207.9200000             -0.0000680
   8549.4290000             -0.0001870
   3085.9750000             -0.0005230
   1203.1720000             -0.0014240
    498.4869000             -0.0035970
    216.7360000             -0.0080330
     97.8747600             -0.0145980
     45.2043300             -0.0165140
     20.2118700              0.0062890
      9.5747510              0.0682630
      4.5403460              0.1165590
      1.9956870             -0.0299490
      0.9422150             -0.2308390
      0.4178450             -0.3023230
      0.0957610              0.2699030
      0.0513510              0.5919260
Sc    S
2715278.0000000             -0.0000050
 406598.4000000             -0.0000150
  92530.0400000             -0.0000430
  26207.9200000             -0.0001190
   8549.4290000             -0.0003170
   3085.9750000             -0.0009330
   1203.1720000             -0.0023690
    498.4869000             -0.0065510
    216.7360000             -0.0129980
     97.8747600             -0.0278890
     45.2043300             -0.0226520
     20.2118700             -0.0046730
      9.5747510              0.1586420
      4.5403460              0.1412640
      1.9956870              0.0934350
      0.9422150             -0.8973280
      0.4178450              0.0597060
      0.0957610              2.3097260
      0.0513510             -1.2862210
Sc    S
2715278.0000000             -0.0000080
 406598.4000000             -0.0000240
  92530.0400000             -0.0000670
  26207.9200000             -0.0001900
   8549.4290000             -0.0004920
   3085.9750000             -0.0015120
   1203.1720000             -0.0036160
    498.4869000             -0.0107900
    216.7360000             -0.0193510
     97.8747600             -0.0476760
     45.2043300             -0.0281580
     20.2118700             -0.0279470
      9.5747510              0.3104550
      4.5403460              0.1769890
      1.9956870              0.2158550
      0.9422150             -2.3880850
      0.4178450              2.3878380
      0.0957610              0.8272680
      0.0513510             -3.3417860
Sc    S
      2.6472000              1.0000000
Sc    S
      0.6217000              1.0000000
Sc    S
      0.0238780              1.0000000
Sc    S
      0.0111000              1.0000000
Sc    P
  10592.1900000              0.0001010
   2507.5330000              0.0005310
    814.4571000              0.0026120
    311.5195000              0.0106240
    131.9617000              0.0359750
     59.9871800              0.0992420
     28.6625000              0.2117340
     14.1085100              0.3300720
      7.1037060              0.3297560
      3.6092000              0.1568380
      1.7760700              0.0218050
      0.8547600             -0.0017970
      0.4022390             -0.0014350
      0.1546800             -0.0003000
      0.0648880              0.0000370
Sc    P
  10592.1900000             -0.0000330
   2507.5330000             -0.0001740
    814.4571000             -0.0008600
    311.5195000             -0.0035150
    131.9617000             -0.0120540
     59.9871800             -0.0340690
     28.6625000             -0.0752130
     14.1085100             -0.1224250
      7.1037060             -0.1293380
      3.6092000              0.0162740
      1.7760700              0.3101820
      0.8547600              0.4626890
      0.4022390              0.3035190
      0.1546800              0.0505150
      0.0648880             -0.0043930
Sc    P
  10592.1900000             -0.0000080
   2507.5330000             -0.0000420
    814.4571000             -0.0002100
    311.5195000             -0.0008550
    131.9617000             -0.0029520
     59.9871800             -0.0083120
     28.6625000             -0.0185310
     14.1085100             -0.0300330
      7.1037060             -0.0326410
      3.6092000              0.0083480
      1.7760700              0.0879920
      0.8547600              0.1519130
      0.4022390              0.0964060
      0.1546800             -0.2563870
      0.0648880             -0.5874490
Sc    P
  10592.1900000              0.0000100
   2507.5330000              0.0000520
    814.4571000              0.0002530
    311.5195000              0.0010510
    131.9617000              0.0035550
     59.9871800              0.0102180
     28.6625000              0.0222040
     14.1085100              0.0372860
      7.1037060              0.0378240
      3.6092000             -0.0049720
      1.7760700             -0.1112850
      0.8547600             -0.1627100
      0.4022390             -0.1826910
      0.1546800              0.3998710
      0.0648880              0.6854100
Sc    P
  10592.1900000              0.0000200
   2507.5330000              0.0000990
    814.4571000              0.0005400
    311.5195000              0.0019760
    131.9617000              0.0076190
     59.9871800              0.0189350
     28.6625000              0.0488650
     14.1085100              0.0648610
      7.1037060              0.1074880
      3.6092000             -0.0607580
      1.7760700             -0.1669220
      0.8547600             -0.7590390
      0.4022390              0.6295020
      0.1546800              1.1637940
      0.0648880             -1.0239170
Sc    P
      3.4418000              1.0000000
Sc    P
      0.8084000              1.0000000
Sc    P
      0.0263010              1.0000000
Sc    P
      0.0106600              1.0000000
Sc    D
     50.6542000              0.0042520
     14.7325000              0.0274650
      5.1804600              0.0992270
      2.0195900              0.2299670
      0.7992190              0.3442870
      0.3053160              0.3736260
      0.1104440              0.2680210
Sc    D
     50.6542000             -0.0043960
     14.7325000             -0.0282630
      5.1804600             -0.1047920
      2.0195900             -0.2343530
      0.7992190             -0.3255090
      0.3053160             -0.0699950
      0.1104440              0.5949220
Sc    D
     50.6542000              0.0057630
     14.7325000              0.0364360
      5.1804600              0.1387320
      2.0195900              0.3008260
      0.7992190              0.3149790
      0.3053160             -0.7436330
      0.1104440             -0.2346380
Sc    D
      1.8520000              1.0000000
Sc    D
      0.7875000              1.0000000
Sc    D
      0.0370650              1.0000000
Sc    D
      0.0124400              1.0000000
Sc    F
      2.1048000              1.0000000
Sc    F
      0.6587000              1.0000000
Sc    F
      0.1636000              1.0000000
Sc    F
      0.0406300              1.0000000
Sc    G
      1.7850000              1.0000000
Sc    G
      0.4112000              1.0000000
Sc    G
      0.0947300              1.0000000
end
basis "Ti_aug-cc-pwcvtz-dk" 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Ti    S
3014643.0000000              0.0001120
 451432.9000000              0.0003320
 102733.8000000              0.0009400
  29098.1700000              0.0025320
   9492.3300000              0.0068790
   3426.3460000              0.0187490
   1335.8960000              0.0492940
    553.5026000              0.1166940
    240.6925000              0.2273250
    108.7293000              0.3105540
     50.2645700              0.2205840
     22.5800400              0.0732470
     10.7143200              0.1131540
      5.0935460              0.1136590
      2.2441830              0.0193160
      1.0595700             -0.0004650
      0.4688490              0.0001590
      0.1061430             -0.0000590
      0.0552620              0.0000620
Ti    S
3014643.0000000             -0.0000630
 451432.9000000             -0.0001890
 102733.8000000             -0.0005350
  29098.1700000             -0.0014430
   9492.3300000             -0.0039330
   3426.3460000             -0.0107960
   1335.8960000             -0.0288290
    553.5026000             -0.0706740
    240.6925000             -0.1487780
    108.7293000             -0.2420600
     50.2645700             -0.2347210
     22.5800400              0.0422060
     10.7143200              0.4983350
      5.0935460              0.4868870
      2.2441830              0.0879040
      1.0595700             -0.0052640
      0.4688490              0.0005520
      0.1061430             -0.0006280
      0.0552620              0.0005530
Ti    S
3014643.0000000              0.0000130
 451432.9000000              0.0000380
 102733.8000000              0.0001090
  29098.1700000              0.0002940
   9492.3300000              0.0008030
   3426.3460000              0.0022200
   1335.8960000              0.0059990
    553.5026000              0.0151490
    240.6925000              0.0337330
    108.7293000              0.0615630
     50.2645700              0.0694620
     22.5800400             -0.0241550
     10.7143200             -0.2789840
      5.0935460             -0.4386710
      2.2441830              0.0909060
      1.0595700              0.7091310
      0.4688490              0.4311640
      0.1061430              0.0258980
      0.0552620             -0.0110070
Ti    S
3014643.0000000             -0.0000030
 451432.9000000             -0.0000090
 102733.8000000             -0.0000260
  29098.1700000             -0.0000700
   9492.3300000             -0.0001910
   3426.3460000             -0.0005260
   1335.8960000             -0.0014240
    553.5026000             -0.0035930
    240.6925000             -0.0080220
    108.7293000             -0.0146460
     50.2645700             -0.0166610
     22.5800400              0.0058890
     10.7143200              0.0693470
      5.0935460              0.1159210
      2.2441830             -0.0327170
      1.0595700             -0.2334140
      0.4688490             -0.2869410
      0.1061430              0.2839540
      0.0552620              0.5841130
Ti    S
3014643.0000000             -0.0000060
 451432.9000000             -0.0000170
 102733.8000000             -0.0000480
  29098.1700000             -0.0001310
   9492.3300000             -0.0003460
   3426.3460000             -0.0010090
   1335.8960000             -0.0025320
    553.5026000             -0.0070420
    240.6925000             -0.0138290
    108.7293000             -0.0302210
     50.2645700             -0.0239810
     22.5800400             -0.0071850
     10.7143200              0.1758840
      5.0935460              0.1462460
      2.2441830              0.0971840
      1.0595700             -1.0017360
      0.4688490              0.1999570
      0.1061430              2.2181040
      0.0552620             -1.3423230
Ti    S
3014643.0000000             -0.0000090
 451432.9000000             -0.0000270
 102733.8000000             -0.0000750
  29098.1700000             -0.0002080
   9492.3300000             -0.0005370
   3426.3460000             -0.0016170
   1335.8960000             -0.0038870
    553.5026000             -0.0114190
    240.6925000             -0.0208780
    108.7293000             -0.0503970
     50.2645700             -0.0320930
     22.5800400             -0.0269460
     10.7143200              0.3275740
      5.0935460              0.2147230
      2.2441830              0.1170160
      1.0595700             -2.4080240
      0.4688490              2.5936190
      0.1061430              0.1447480
      0.0552620             -2.5253120
Ti    S
      2.9691000              1.0000000
Ti    S
      0.7105000              1.0000000
Ti    S
      0.0254650              1.0000000
Ti    S
      0.0117300              1.0000000
Ti    P
  11912.0300000              0.0001040
   2819.9470000              0.0005330
    915.9479000              0.0025880
    350.3842000              0.0104700
    148.4825000              0.0354710
     67.5394400              0.0981640
     32.3033200              0.2106310
     15.9278600              0.3301970
      8.0380350              0.3305000
      4.0939160              0.1571860
      2.0223900              0.0219670
      0.9761020             -0.0017610
      0.4595950             -0.0014300
      0.1771950             -0.0002900
      0.0734420              0.0000340
Ti    P
  11912.0300000             -0.0000350
   2819.9470000             -0.0001790
    915.9479000             -0.0008700
    350.3842000             -0.0035410
    148.4825000             -0.0121500
     67.5394400             -0.0344710
     32.3033200             -0.0765940
     15.9278600             -0.1256220
      8.0380350             -0.1320480
      4.0939160              0.0193960
      2.0223900              0.3164550
      0.9761020              0.4614890
      0.4595950              0.2980100
      0.1771950              0.0495170
      0.0734420             -0.0041080
Ti    P
  11912.0300000              0.0000080
   2819.9470000              0.0000430
    915.9479000              0.0002090
    350.3842000              0.0008480
    148.4825000              0.0029250
     67.5394400              0.0082760
     32.3033200              0.0185500
     15.9278600              0.0303400
      8.0380350              0.0327150
      4.0939160             -0.0087200
      2.0223900             -0.0886360
      0.9761020             -0.1491650
      0.4595950             -0.0932320
      0.1771950              0.2507080
      0.0734420              0.5861800
Ti    P
  11912.0300000              0.0000100
   2819.9470000              0.0000540
    915.9479000              0.0002610
    350.3842000              0.0010710
    148.4825000              0.0036390
     67.5394400              0.0104610
     32.3033200              0.0229850
     15.9278600              0.0386720
      8.0380350              0.0394990
      4.0939160             -0.0068990
      2.0223900             -0.1146250
      0.9761020             -0.1708870
      0.4595950             -0.1652610
      0.1771950              0.4058580
      0.0734420              0.6742340
Ti    P
  11912.0300000              0.0000210
   2819.9470000              0.0001010
    915.9479000              0.0005360
    350.3842000              0.0019840
    148.4825000              0.0075290
     67.5394400              0.0191510
     32.3033200              0.0486770
     15.9278600              0.0671790
      8.0380350              0.1039430
      4.0939160             -0.0555620
      2.0223900             -0.1916650
      0.9761020             -0.6969070
      0.4595950              0.5747490
      0.1771950              1.1704990
      0.0734420             -1.0063770
Ti    P
      4.0234000              1.0000000
Ti    P
      0.9417000              1.0000000
Ti    P
      0.0293340              1.0000000
Ti    P
      0.0117200              1.0000000
Ti    D
     64.3402000              0.0038830
     18.8418000              0.0262040
      6.7198300              0.0968870
      2.6561300              0.2316310
      1.0736800              0.3519720
      0.4205570              0.3725630
      0.1548170              0.2505630
Ti    D
     64.3402000             -0.0039790
     18.8418000             -0.0267640
      6.7198300             -0.1018940
      2.6561300             -0.2371110
      1.0736800             -0.3132860
      0.4205570             -0.0465630
      0.1548170              0.5840720
Ti    D
     64.3402000              0.0063860
     18.8418000              0.0433010
      6.7198300              0.1702500
      2.6561300              0.3719460
      1.0736800              0.2303500
      0.4205570             -0.7820270
      0.1548170             -0.1235850
Ti    D
      2.3834000              1.0000000
Ti    D
      1.0775000              1.0000000
Ti    D
      0.0514900              1.0000000
Ti    D
      0.0171200              1.0000000
Ti    F
      2.8376000              1.0000000
Ti    F
      0.9633000              1.0000000
Ti    F
      0.2788000              1.0000000
Ti    F
      0.0806900              1.0000000
Ti    G
      2.4639000              1.0000000
Ti    G
      0.7092000              1.0000000
Ti    G
      0.2041300              1.0000000
end
basis "V_aug-cc-pwcvtz-dk" 
#basis SET: (118s,79p,22d,4f,3g) -> [10s,9p,7d,4f,3g]
V    S
3321857.0000000              0.0001180
 497435.6000000              0.0003490
 113202.7000000              0.0009820
  32063.3300000              0.0026180
  10459.6200000              0.0070320
   3775.5060000              0.0189660
   1472.0400000              0.0495440
    609.9331000              0.1170070
    265.2634000              0.2280590
    119.8607000              0.3128050
     55.4489100              0.2243300
     24.9837200              0.0735890
     11.8805600              0.1075150
      5.6603110              0.1073700
      2.4957030              0.0180480
      1.1778660             -0.0004330
      0.5200440              0.0001240
      0.1159650             -0.0000460
      0.0589380              0.0000590
V    S
3321857.0000000             -0.0000660
 497435.6000000             -0.0001940
 113202.7000000             -0.0005450
  32063.3300000             -0.0014570
  10459.6200000             -0.0039270
   3775.5060000             -0.0106680
   1472.0400000             -0.0283160
    609.9331000             -0.0692880
    265.2634000             -0.1461110
    119.8607000             -0.2389450
     55.4489100             -0.2339170
     24.9837200              0.0421070
     11.8805600              0.5024910
      5.6603110              0.4878150
      2.4957030              0.0873120
      1.1778660             -0.0053530
      0.5200440              0.0004350
      0.1159650             -0.0005700
      0.0589380              0.0005410
V    S
3321857.0000000              0.0000140
 497435.6000000              0.0000410
 113202.7000000              0.0001150
  32063.3300000              0.0003080
  10459.6200000              0.0008330
   3775.5060000              0.0022780
   1472.0400000              0.0061170
    609.9331000              0.0154080
    265.2634000              0.0343010
    119.8607000              0.0627220
     55.4489100              0.0710470
     24.9837200             -0.0241190
     11.8805600             -0.2872100
      5.6603110             -0.4426090
      2.4957030              0.1068750
      1.1778660              0.7133290
      0.5200440              0.4194430
      0.1159650              0.0238310
      0.0589380             -0.0098830
V    S
3321857.0000000             -0.0000030
 497435.6000000             -0.0000100
 113202.7000000             -0.0000270
  32063.3300000             -0.0000720
  10459.6200000             -0.0001940
   3775.5060000             -0.0005300
   1472.0400000             -0.0014250
    609.9331000             -0.0035890
    265.2634000             -0.0080030
    119.8607000             -0.0146610
     55.4489100             -0.0167040
     24.9837200              0.0057060
     11.8805600              0.0703560
      5.6603110              0.1145620
      2.4957030             -0.0359500
      1.1778660             -0.2344200
      0.5200440             -0.2726820
      0.1159650              0.2965280
      0.0589380              0.5772100
V    S
3321857.0000000             -0.0000060
 497435.6000000             -0.0000180
 113202.7000000             -0.0000510
  32063.3300000             -0.0001410
  10459.6200000             -0.0003660
   3775.5060000             -0.0010610
   1472.0400000             -0.0026350
    609.9331000             -0.0073430
    265.2634000             -0.0143270
    119.8607000             -0.0316410
     55.4489100             -0.0247500
     24.9837200             -0.0086380
     11.8805600              0.1872210
      5.6603110              0.1479670
      2.4957030              0.0933070
      1.1778660             -1.0567540
      0.5200440              0.2916520
      0.1159650              2.1339990
      0.0589380             -1.3543780
V    S
3321857.0000000             -0.0000100
 497435.6000000             -0.0000290
 113202.7000000             -0.0000810
  32063.3300000             -0.0002240
  10459.6200000             -0.0005750
   3775.5060000             -0.0017020
   1472.0400000             -0.0040970
    609.9331000             -0.0118930
    265.2634000             -0.0220220
    119.8607000             -0.0524010
     55.4489100             -0.0349980
     24.9837200             -0.0258510
     11.8805600              0.3416980
      5.6603110              0.2399620
      2.4957030              0.0310030
      1.1778660             -2.3835830
      0.5200440              2.6992870
      0.1159650             -0.2788310
      0.0589380             -1.9836530
V    S
      3.3258000              1.0000000
V    S
      0.8242000              1.0000000
V    S
      0.0269460              1.0000000
V    S
      0.0123200              1.0000000
V    P
  13273.2000000              0.0001080
   3142.1260000              0.0005390
   1020.5880000              0.0025820
    390.4407000              0.0103900
    165.5043000              0.0351890
     75.3200600              0.0975890
     36.0550300              0.2102360
     17.8043600              0.3306940
      9.0029290              0.3306980
      4.5945440              0.1567000
      2.2767600              0.0218570
      1.1011780             -0.0017680
      0.5186380             -0.0014570
      0.2005740             -0.0002830
      0.0812170              0.0000310
V    P
  13273.2000000             -0.0000370
   3142.1260000             -0.0001840
   1020.5880000             -0.0008830
    390.4407000             -0.0035760
    165.5043000             -0.0122640
     75.3200600             -0.0348910
     36.0550300             -0.0778890
     17.8043600             -0.1284150
      9.0029290             -0.1338960
      4.5945440              0.0231590
      2.2767600              0.3220750
      1.1011780              0.4598860
      0.5186380              0.2931220
      0.2005740              0.0484450
      0.0812170             -0.0037030
V    P
  13273.2000000              0.0000090
   3142.1260000              0.0000440
   1020.5880000              0.0002140
    390.4407000              0.0008620
    165.5043000              0.0029720
     75.3200600              0.0084410
     36.0550300              0.0189950
     17.8043600              0.0312890
      9.0029290              0.0333380
      4.5945440             -0.0100750
      2.2767600             -0.0925620
      1.1011780             -0.1488610
      0.5186380             -0.0823020
      0.2005740              0.2504590
      0.0812170              0.5799250
V    P
  13273.2000000              0.0000110
   3142.1260000              0.0000560
   1020.5880000              0.0002660
    390.4407000              0.0010870
    165.5043000              0.0036880
     75.3200600              0.0106400
     36.0550300              0.0234680
     17.8043600              0.0397630
      9.0029290              0.0401880
      4.5945440             -0.0080990
      2.2767600             -0.1183280
      1.1011780             -0.1730030
      0.5186380             -0.1539630
      0.2005740              0.4118200
      0.0812170              0.6696520
V    P
  13273.2000000              0.0000230
   3142.1260000              0.0001070
   1020.5880000              0.0005570
    390.4407000              0.0020550
    165.5043000              0.0077880
     75.3200600              0.0198910
     36.0550300              0.0507500
     17.8043600              0.0705330
      9.0029290              0.1081080
      4.5945440             -0.0606770
      2.2767600             -0.2162910
      1.1011780             -0.6786280
      0.5186380              0.6035630
      0.2005740              1.1148540
      0.0812170             -0.9880720
V    P
      4.6724000              1.0000000
V    P
      1.0866000              1.0000000
V    P
      0.0317330              1.0000000
V    P
      0.0124000              1.0000000
V    D
     78.2841000              0.0035870
     23.0120000              0.0249740
      8.2901600              0.0940290
      3.3079100              0.2290420
      0.5392580              0.3708890
      0.2012550              0.2485580
V    D
     78.2841000             -0.0038180
     23.0120000             -0.0265310
      8.2901600             -0.1030470
      3.3079100             -0.2466900
      0.5392580             -0.0275810
      0.2012550              0.5660110
V    D
     78.2841000              0.0059800
     23.0120000              0.0417790
      8.2901600              0.1689470
      3.3079100              0.3831330
      0.5392580             -0.7715530
      0.2012550             -0.1298600
V    D
      2.9240000              1.0000000
V    D
      1.3555500              1.0000000
V    D
      0.0671460              1.0000000
V    D
      0.0224000              1.0000000
V    F
      3.6188000              1.0000000
V    F
      1.2846000              1.0000000
V    F
      0.4057000              1.0000000
V    F
      0.1281300              1.0000000
V    G
      3.3272000              1.0000000
V    G
      1.1127000              1.0000000
V    G
      0.3721200              1.0000000
end
basis "Cr_aug-cc-pwcvtz-dk" 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Cr    S
6177194.0000000              0.0000840
 924929.5000000              0.0002410
 210486.5000000              0.0006580
  59620.0500000              0.0016730
  19450.7600000              0.0042480
   7022.0560000              0.0108890
   2738.7630000              0.0278590
   1135.8140000              0.0678880
    495.0923000              0.1468020
    224.7487000              0.2556230
    105.3836000              0.2984080
     50.1935900              0.1745600
     22.2495700              0.0696900
     10.9826500              0.1141840
      5.3836650              0.0840700
      2.3436850              0.0099260
      1.1052020             -0.0003160
      0.4878480              0.0000590
      0.0895990              0.0000160
Cr    S
6177194.0000000             -0.0000460
 924929.5000000             -0.0001340
 210486.5000000             -0.0003640
  59620.0500000             -0.0009270
  19450.7600000             -0.0023610
   7022.0560000             -0.0060760
   2738.7630000             -0.0157230
   1135.8140000             -0.0390780
    495.0923000             -0.0887110
    224.7487000             -0.1701120
    105.3836000             -0.2472980
     50.1935900             -0.1863810
     22.2495700              0.1584390
     10.9826500              0.5481250
      5.3836650              0.3885790
      2.3436850              0.0492810
      1.1052020             -0.0043050
      0.4878480              0.0001110
      0.0895990             -0.0000270
Cr    S
6177194.0000000              0.0000100
 924929.5000000              0.0000290
 210486.5000000              0.0000780
  59620.0500000              0.0002000
  19450.7600000              0.0005110
   7022.0560000              0.0013170
   2738.7630000              0.0034470
   1135.8140000              0.0086680
    495.0923000              0.0204950
    224.7487000              0.0417010
    105.3836000              0.0693000
     50.1935900              0.0581890
     22.2495700             -0.0761810
     10.9826500             -0.3561380
      5.3836650             -0.3726510
      2.3436850              0.2838030
      1.1052020              0.7149340
      0.4878480              0.2908760
      0.0895990              0.0069090
Cr    S
6177194.0000000             -0.0000020
 924929.5000000             -0.0000070
 210486.5000000             -0.0000180
  59620.0500000             -0.0000450
  19450.7600000             -0.0001170
   7022.0560000             -0.0002980
   2738.7630000             -0.0007900
   1135.8140000             -0.0019570
    495.0923000             -0.0047250
    224.7487000             -0.0093680
    105.3836000             -0.0162500
     50.1935900             -0.0125490
     22.2495700              0.0155500
     10.9826500              0.0916910
      5.3836650              0.0854260
      2.3436850             -0.0662500
      1.1052020             -0.2868520
      0.4878480             -0.1703030
      0.0895990              0.6967260
Cr    S
6177194.0000000              0.0000040
 924929.5000000              0.0000130
 210486.5000000              0.0000360
  59620.0500000              0.0000880
  19450.7600000              0.0002390
   7022.0560000              0.0005570
   2738.7630000              0.0016820
   1135.8140000              0.0034900
    495.0923000              0.0105120
    224.7487000              0.0153920
    105.3836000              0.0402770
     50.1935900              0.0073940
     22.2495700              0.0140570
     10.9826500             -0.2936730
      5.3836650              0.0030100
      2.3436850             -0.1758500
      1.1052020              1.5006460
      0.4878480             -1.1269400
      0.0895990             -1.2270880
Cr    S
6177194.0000000             -0.0000070
 924929.5000000             -0.0000210
 210486.5000000             -0.0000580
  59620.0500000             -0.0001450
  19450.7600000             -0.0003840
   7022.0560000             -0.0009370
   2738.7630000             -0.0026480
   1135.8140000             -0.0060270
    495.0923000             -0.0162070
    224.7487000             -0.0279550
    105.3836000             -0.0593480
     50.1935900             -0.0278590
     22.2495700              0.0170670
     10.9826500              0.4205010
      5.3836650              0.2026980
      2.3436850             -0.4517940
      1.1052020             -1.9067910
      0.4878480              2.8955150
      0.0895990             -2.2377970
Cr    S
      4.8281000              1.0000000
Cr    S
      1.1499000              1.0000000
Cr    S
      0.0334230              1.0000000
Cr    S
      0.0124700              1.0000000
Cr    P
  14454.2000000              0.0001150
   3421.6760000              0.0005600
   1111.3870000              0.0026530
    425.1918000              0.0106120
    180.2623000              0.0358670
     82.0611700              0.0993240
     39.2972600              0.2135250
     19.4195900              0.3339970
      9.8288990              0.3282920
      5.0168100              0.1505820
      2.4870910              0.0200020
      1.1987800             -0.0015630
      0.5586950             -0.0012910
      0.2093660             -0.0002120
      0.0847220              0.0000240
Cr    P
  14454.2000000             -0.0000400
   3421.6760000             -0.0001940
   1111.3870000             -0.0009220
    425.1918000             -0.0037110
    180.2623000             -0.0127060
     82.0611700             -0.0361210
     39.2972600             -0.0805400
     19.4195900             -0.1323120
      9.8288990             -0.1340350
      5.0168100              0.0347070
      2.4870910              0.3356300
      1.1987800              0.4612780
      0.5586950              0.2785730
      0.2093660              0.0412210
      0.0847220             -0.0038000
Cr    P
  14454.2000000              0.0000090
   3421.6760000              0.0000460
   1111.3870000              0.0002190
    425.1918000              0.0008780
    180.2623000              0.0030300
     82.0611700              0.0085680
     39.2972600              0.0193430
     19.4195900              0.0315600
      9.8288990              0.0330560
      5.0168100             -0.0135900
      2.4870910             -0.0940090
      1.1987800             -0.1498470
      0.5586950             -0.0657160
      0.2093660              0.2711740
      0.0847220              0.5750590
Cr    P
  14454.2000000              0.0000120
   3421.6760000              0.0000590
   1111.3870000              0.0002770
    425.1918000              0.0011210
    180.2623000              0.0038200
     82.0611700              0.0109400
     39.2972600              0.0243010
     19.4195900              0.0405940
      9.8288990              0.0407730
      5.0168100             -0.0134400
      2.4870910             -0.1211060
      1.1987800             -0.1827370
      0.5586950             -0.1200720
      0.2093660              0.4449520
      0.0847220              0.6413430
Cr    P
  14454.2000000              0.0000250
   3421.6760000              0.0001160
   1111.3870000              0.0006020
    425.1918000              0.0021980
    180.2623000              0.0083680
     82.0611700              0.0212190
     39.2972600              0.0545450
     19.4195900              0.0746730
      9.8288990              0.1147010
      5.0168100             -0.0783210
      2.4870910             -0.2465150
      1.1987800             -0.6773230
      0.5586950              0.7479410
      0.2093660              0.9845060
      0.0847220             -1.0295180
Cr    P
      5.2718000              1.0000000
Cr    P
      1.2083000              1.0000000
Cr    P
      0.0332780              1.0000000
Cr    P
      0.0130700              1.0000000
Cr    D
     89.4745000              0.0036170
     26.3368000              0.0255390
      9.5342900              0.0968340
      3.8211800              0.2351220
      1.5716900              0.3574460
      0.6264220              0.3691600
      0.2330550              0.2380780
Cr    D
     89.4745000             -0.0041240
     26.3368000             -0.0290980
      9.5342900             -0.1143160
      3.8211800             -0.2719580
      1.5716900             -0.3162730
      0.6264220              0.0374570
      0.2330550              0.5894820
Cr    D
     89.4745000              0.0059530
     26.3368000              0.0422270
      9.5342900              0.1730970
      3.8211800              0.3927110
      1.5716900              0.1544870
      0.6264220             -0.8070190
      0.2330550              0.0009440
Cr    D
      3.4093000              1.0000000
Cr    D
      1.5874000              1.0000000
Cr    D
      0.0763030              1.0000000
Cr    D
      0.0249800              1.0000000
Cr    F
      4.3629000              1.0000000
Cr    F
      1.5864000              1.0000000
Cr    F
      0.5231000              1.0000000
Cr    F
      0.1724900              1.0000000
Cr    G
      4.0406000              1.0000000
Cr    G
      1.4199000              1.0000000
Cr    G
      0.4989600              1.0000000
end
basis "Mn_aug-cc-pwcvtz-dk" 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Mn    S
3960805.0000000              0.0001350
 593115.5000000              0.0003950
 134976.8000000              0.0010960
  38230.6700000              0.0028710
  12471.5400000              0.0075540
   4501.7430000              0.0199750
   1755.2120000              0.0515080
    727.3039000              0.1210030
    316.3678000              0.2360360
    143.0098000              0.3264820
     66.2180500              0.2393020
     29.9189600              0.0718200
     14.3031800              0.0759500
      6.8394510              0.0750300
      3.0123740              0.0118360
      1.4188080             -0.0003590
      0.6236240             -0.0000620
      0.1340980             -0.0000140
      0.0655480              0.0000260
Mn    S
3960805.0000000             -0.0000650
 593115.5000000             -0.0001890
 134976.8000000             -0.0005250
  38230.6700000             -0.0013790
  12471.5400000             -0.0036420
   4501.7430000             -0.0097110
   1755.2120000             -0.0254890
    727.3039000             -0.0622590
    316.3678000             -0.1322860
    143.0098000             -0.2204590
     66.2180500             -0.2215130
     29.9189600              0.0493360
     14.3031800              0.5165030
      6.8394510              0.4900740
      3.0123740              0.0845860
      1.4188080             -0.0068570
      0.6236240             -0.0004660
      0.1340980             -0.0005260
      0.0655480              0.0004990
Mn    S
3960805.0000000              0.0000160
 593115.5000000              0.0000460
 134976.8000000              0.0001280
  38230.6700000              0.0003370
  12471.5400000              0.0008910
   4501.7430000              0.0023910
   1755.2120000              0.0063340
    727.3039000              0.0158660
    316.3678000              0.0352360
    143.0098000              0.0645450
     66.2180500              0.0730570
     29.9189600             -0.0257370
     14.3031800             -0.3026850
      6.8394510             -0.4440650
      3.0123740              0.1409020
      1.4188080              0.7189900
      0.6236240              0.3952070
      0.1340980              0.0198510
      0.0655480             -0.0077830
Mn    S
3960805.0000000             -0.0000040
 593115.5000000             -0.0000100
 134976.8000000             -0.0000290
  38230.6700000             -0.0000750
  12471.5400000             -0.0001990
   4501.7430000             -0.0005330
   1755.2120000             -0.0014130
    727.3039000             -0.0035420
    316.3678000             -0.0078710
    143.0098000             -0.0144660
     66.2180500             -0.0164250
     29.9189600              0.0057620
     14.3031800              0.0712660
      6.8394510              0.1094140
      3.0123740             -0.0428130
      1.4188080             -0.2293830
      0.6236240             -0.2461200
      0.1340980              0.3096530
      0.0655480              0.5658570
Mn    S
3960805.0000000             -0.0000070
 593115.5000000             -0.0000210
 134976.8000000             -0.0000570
  38230.6700000             -0.0001530
  12471.5400000             -0.0003900
   4501.7430000             -0.0011070
   1755.2120000             -0.0027160
    727.3039000             -0.0075260
    316.3678000             -0.0146430
    143.0098000             -0.0324340
     66.2180500             -0.0252390
     29.9189600             -0.0086680
     14.3031800              0.1951750
      6.8394510              0.1474640
      3.0123740              0.0703750
      1.4188080             -1.0667770
      0.6236240              0.3723110
      0.1340980              1.9872070
      0.0655480             -1.2893930
Mn    S
3960805.0000000             -0.0000110
 593115.5000000             -0.0000340
 134976.8000000             -0.0000930
  38230.6700000             -0.0002500
  12471.5400000             -0.0006340
   4501.7430000             -0.0018190
   1755.2120000             -0.0043920
    727.3039000             -0.0124300
    316.3678000             -0.0235800
    143.0098000             -0.0543090
     66.2180500             -0.0393500
     29.9189600             -0.0205440
     14.3031800              0.3531150
      6.8394510              0.2786720
      3.0123740             -0.1195220
      1.4188080             -2.2468870
      0.6236240              2.7026690
      0.1340980             -0.5973580
      0.0655480             -1.4948730
Mn    S
      4.1714000              1.0000000
Mn    S
      1.0701000              1.0000000
Mn    S
      0.0295840              1.0000000
Mn    S
      0.0133500              1.0000000
Mn    P
  16205.8600000              0.0001180
   3836.2740000              0.0005550
   1246.0480000              0.0025910
    476.7535000              0.0102970
    202.1895000              0.0348120
     92.0948700              0.0968140
     44.1472000              0.2099030
     21.8546800              0.3319070
     11.0859600              0.3311790
      5.6741080              0.1557000
      2.8231700              0.0209060
      1.3686210             -0.0028140
      0.6444310             -0.0021480
      0.2483460             -0.0003790
      0.0971750              0.0000360
Mn    P
  16205.8600000             -0.0000410
   3836.2740000             -0.0001930
   1246.0480000             -0.0009030
    476.7535000             -0.0036140
    202.1895000             -0.0123730
     92.0948700             -0.0353410
     44.1472000             -0.0794990
     21.8546800             -0.1321930
     11.0859600             -0.1356890
      5.6741080              0.0301330
      2.8231700              0.3310290
      1.3686210              0.4567780
      0.6444310              0.2859100
      0.2483460              0.0465830
      0.0971750             -0.0033840
Mn    P
  16205.8600000             -0.0000090
   3836.2740000             -0.0000440
   1246.0480000             -0.0002080
    476.7535000             -0.0008320
    202.1895000             -0.0028570
     92.0948700             -0.0081640
     44.1472000             -0.0184550
     21.8546800             -0.0307730
     11.0859600             -0.0319990
      5.6741080              0.0107510
      2.8231700              0.0908940
      1.3686210              0.1379450
      0.6444310              0.0761120
      0.2483460             -0.2313460
      0.0971750             -0.5751700
Mn    P
  16205.8600000              0.0000130
   3836.2740000              0.0000600
   1246.0480000              0.0002790
    476.7535000              0.0011270
    202.1895000              0.0038180
     92.0948700              0.0110610
     44.1472000              0.0245850
     21.8546800              0.0420330
     11.0859600              0.0418110
      5.6741080             -0.0108470
      2.8231700             -0.1265590
      1.3686210             -0.1789830
      0.6444310             -0.1260670
      0.2483460              0.4203830
      0.0971750              0.6578380
Mn    P
  16205.8600000              0.0000270
   3836.2740000              0.0001220
   1246.0480000              0.0006140
    476.7535000              0.0022650
    202.1895000              0.0084770
     92.0948700              0.0220190
     44.1472000              0.0557870
     21.8546800              0.0799210
     11.0859600              0.1168920
      5.6741080             -0.0685680
      2.8231700             -0.2828210
      1.3686210             -0.6506830
      0.6444310              0.7151330
      0.2483460              0.9592410
      0.0971750             -0.9371570
Mn    P
      6.0568000              1.0000000
Mn    P
      1.3911000              1.0000000
Mn    P
      0.0365650              1.0000000
Mn    P
      0.0137600              1.0000000
Mn    D
    101.9040000              0.0035750
     30.0337000              0.0255750
     10.9238000              0.0977470
      4.3974000              0.2370560
      1.8159500              0.3579230
      0.7257310              0.3658070
      0.2699610              0.2362960
Mn    D
    101.9040000             -0.0036460
     30.0337000             -0.0260790
     10.9238000             -0.1024550
      4.3974000             -0.2488950
      1.8159500             -0.3018870
      0.7257310              0.0083690
      0.2699610              0.5397650
Mn    D
    101.9040000              0.0058600
     30.0337000              0.0421430
     10.9238000              0.1737480
      4.3974000              0.3964200
      1.8159500              0.1643200
      0.7257310             -0.7198750
      0.2699610             -0.1641420
Mn    D
      3.9511000              1.0000000
Mn    D
      1.8488000              1.0000000
Mn    D
      0.0877600              1.0000000
Mn    D
      0.0285300              1.0000000
Mn    F
      5.1541000              1.0000000
Mn    F
      1.9044000              1.0000000
Mn    F
      0.6438000              1.0000000
Mn    F
      0.2176400              1.0000000
Mn    G
      4.7163000              1.0000000
Mn    G
      1.7022000              1.0000000
Mn    G
      0.6143600              1.0000000
end
basis "Fe_aug-cc-pwcvtz-dk" 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Fe    S
4316265.0000000              0.0001400
 646342.4000000              0.0004050
 147089.7000000              0.0011190
  41661.5200000              0.0029070
  13590.7700000              0.0075710
   4905.7500000              0.0198180
   1912.7460000              0.0507340
    792.6043000              0.1187290
    344.8065000              0.2311640
    155.8999000              0.3193220
     72.2309100              0.2336480
     32.7250600              0.0740220
     15.6676200              0.0909520
      7.5034830              0.0888980
      3.3122230              0.0143020
      1.5584710             -0.0003870
      0.6839140              0.0000080
      0.1467570             -0.0000250
      0.0705830              0.0000320
Fe    S
4316265.0000000             -0.0000720
 646342.4000000             -0.0002090
 147089.7000000             -0.0005790
  41661.5200000             -0.0015060
  13590.7700000             -0.0039390
   4905.7500000             -0.0103960
   1912.7460000             -0.0270740
    792.6043000             -0.0657770
    344.8065000             -0.1390820
    155.8999000             -0.2301500
     72.2309100             -0.2296630
     32.7250600              0.0460910
     15.6676200              0.5150510
      7.5034830              0.4871750
      3.3122230              0.0843800
      1.5584710             -0.0059110
      0.6839140             -0.0000440
      0.1467570             -0.0004870
      0.0705830              0.0004370
Fe    S
4316265.0000000              0.0000170
 646342.4000000              0.0000490
 147089.7000000              0.0001350
  41661.5200000              0.0003520
  13590.7700000              0.0009230
   4905.7500000              0.0024520
   1912.7460000              0.0064510
    792.6043000              0.0161060
    344.8065000              0.0357420
    155.8999000              0.0655280
     72.2309100              0.0744300
     32.7250600             -0.0257110
     15.6676200             -0.3086450
      7.5034830             -0.4465440
      3.3122230              0.1489850
      1.5584710              0.7203950
      0.6839140              0.3896980
      0.1467570              0.0191840
      0.0705830             -0.0070230
Fe    S
4316265.0000000             -0.0000040
 646342.4000000             -0.0000110
 147089.7000000             -0.0000290
  41661.5200000             -0.0000770
  13590.7700000             -0.0002010
   4905.7500000             -0.0005350
   1912.7460000             -0.0014080
    792.6043000             -0.0035180
    344.8065000             -0.0078140
    155.8999000             -0.0143720
     72.2309100             -0.0163830
     32.7250600              0.0056430
     15.6676200              0.0712210
      7.5034830              0.1078000
      3.3122230             -0.0442620
      1.5584710             -0.2259990
      0.6839140             -0.2376280
      0.1467570              0.2977800
      0.0705830              0.5654970
Fe    S
4316265.0000000             -0.0000070
 646342.4000000             -0.0000210
 147089.7000000             -0.0000580
  41661.5200000             -0.0001550
  13590.7700000             -0.0003930
   4905.7500000             -0.0011010
   1912.7460000             -0.0026930
    792.6043000             -0.0074040
    344.8065000             -0.0144840
    155.8999000             -0.0318530
     72.2309100             -0.0253520
     32.7250600             -0.0078870
     15.6676200              0.1914700
      7.5034830              0.1482420
      3.3122230              0.0507610
      1.5584710             -1.0122460
      0.6839140              0.3423390
      0.1467570              1.8572660
      0.0705830             -1.0636790
Fe    S
4316265.0000000             -0.0000120
 646342.4000000             -0.0000360
 147089.7000000             -0.0000990
  41661.5200000             -0.0002630
  13590.7700000             -0.0006640
   4905.7500000             -0.0018690
   1912.7460000             -0.0045420
    792.6043000             -0.0126010
    344.8065000             -0.0244230
    155.8999000             -0.0546520
     72.2309100             -0.0425410
     32.7250600             -0.0159890
     15.6676200              0.3459640
      7.5034830              0.3206410
      3.3122230             -0.2021250
      1.5584710             -2.1606730
      0.6839140              2.6274860
      0.1467570             -0.4754520
      0.0705830             -1.5666130
Fe    S
      4.6844000              1.0000000
Fe    S
      1.2204000              1.0000000
Fe    S
      0.0314490              1.0000000
Fe    S
      0.0140100              1.0000000
Fe    P
  17745.6900000              0.0001230
   4200.7210000              0.0005660
   1364.4290000              0.0026080
    522.0806000              0.0102950
    221.4595000              0.0347510
    100.9096000              0.0966900
     48.4011500              0.2100300
     23.9853600              0.3324570
     12.1825000              0.3307710
      6.2422980              0.1547330
      3.1109440              0.0209640
      1.5099580             -0.0023460
      0.7108450             -0.0018540
      0.2725980             -0.0003170
      0.1039720              0.0000300
Fe    P
  17745.6900000             -0.0000430
   4200.7210000             -0.0002000
   1364.4290000             -0.0009230
    522.0806000             -0.0036680
    221.4595000             -0.0125390
    100.9096000             -0.0358480
     48.4011500             -0.0808220
     23.9853600             -0.1346970
     12.1825000             -0.1369120
      6.2422980              0.0337130
      3.1109440              0.3356700
      1.5099580              0.4554960
      0.7108450              0.2817600
      0.2725980              0.0451500
      0.1039720             -0.0031650
Fe    P
  17745.6900000              0.0000090
   4200.7210000              0.0000440
   1364.4290000              0.0002010
    522.0806000              0.0008000
    221.4595000              0.0027380
    100.9096000              0.0078480
     48.4011500              0.0177390
     23.9853600              0.0297490
     12.1825000              0.0303890
      6.2422980             -0.0107650
      3.1109440             -0.0876890
      1.5099580             -0.1284700
      0.7108450             -0.0739960
      0.2725980              0.2154550
      0.1039720              0.5720050
Fe    P
  17745.6900000              0.0000140
   4200.7210000              0.0000660
   1364.4290000              0.0003030
    522.0806000              0.0012190
    221.4595000              0.0041200
    100.9096000              0.0119530
     48.4011500              0.0266200
     23.9853600              0.0456990
     12.1825000              0.0450330
      6.2422980             -0.0130110
      3.1109440             -0.1413750
      1.5099580             -0.1941480
      0.7108450             -0.1017700
      0.2725980              0.4678640
      0.1039720              0.6242180
Fe    P
  17745.6900000              0.0000300
   4200.7210000              0.0001340
   1364.4290000              0.0006590
    522.0806000              0.0024470
    221.4595000              0.0090140
    100.9096000              0.0238230
     48.4011500              0.0593640
     23.9853600              0.0875800
     12.1825000              0.1222860
      6.2422980             -0.0681120
      3.1109440             -0.3519070
      1.5099580             -0.6237060
      0.7108450              0.8414480
      0.2725980              0.7920700
      0.1039720             -0.9175100
Fe    P
      6.8788000              1.0000000
Fe    P
      1.5748000              1.0000000
Fe    P
      0.0381660              1.0000000
Fe    P
      0.0140100              1.0000000
Fe    D
    114.8840000              0.0035320
     33.8878000              0.0255500
     12.3730000              0.0983570
      4.9992500              0.2379190
      2.0704300              0.3565390
      0.8281830              0.3628480
      0.3075470              0.2388030
Fe    D
    114.8840000             -0.0038960
     33.8878000             -0.0282070
     12.3730000             -0.1115730
      4.9992500             -0.2728390
      2.0704300             -0.3171520
      0.8281830              0.0520620
      0.3075470              0.5612690
Fe    D
    114.8840000              0.0057030
     33.8878000              0.0416910
     12.3730000              0.1720430
      4.9992500              0.4086070
      2.0704300              0.1195250
      0.8281830             -0.7660380
      0.3075470             -0.0430810
Fe    D
      4.5305000              1.0000000
Fe    D
      2.1205000              1.0000000
Fe    D
      0.0994550              1.0000000
Fe    D
      0.0321600              1.0000000
Fe    F
      6.0066000              1.0000000
Fe    F
      2.2522000              1.0000000
Fe    F
      0.7758000              1.0000000
Fe    F
      0.2672300              1.0000000
Fe    G
      5.5068000              1.0000000
Fe    G
      2.0515000              1.0000000
Fe    G
      0.7642600              1.0000000
end
basis "Co_aug-cc-pwcvtz-dk" 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Co    S
4675675.0000000              0.0001460
 700161.5000000              0.0004220
 159337.3000000              0.0011570
  45130.4600000              0.0029820
  14722.3800000              0.0076950
   5314.2220000              0.0199530
   2072.0180000              0.0507170
    858.6188000              0.1182300
    373.5497000              0.2298040
    168.9229000              0.3172830
     78.2963900              0.2323250
     35.5212300              0.0748630
     17.0414400              0.0946490
      8.1730000              0.0916250
      3.6103180              0.0146600
      1.6970470             -0.0004140
      0.7435320              0.0000050
      0.1583440             -0.0000280
      0.0750360              0.0000290
Co    S
4675675.0000000             -0.0000770
 700161.5000000             -0.0002220
 159337.3000000             -0.0006100
  45130.4600000             -0.0015760
  14722.3800000             -0.0040850
   5314.2220000             -0.0106780
   2072.0180000             -0.0276130
    858.6188000             -0.0668160
    373.5497000             -0.1409790
    168.9229000             -0.2329210
     78.2963900             -0.2320460
     35.5212300              0.0465530
     17.0414400              0.5169650
      8.1730000              0.4848400
      3.6103180              0.0832890
      1.6970470             -0.0058110
      0.7435320             -0.0000540
      0.1583440             -0.0004680
      0.0750360              0.0003890
Co    S
4675675.0000000              0.0000180
 700161.5000000              0.0000520
 159337.3000000              0.0001420
  45130.4600000              0.0003670
  14722.3800000              0.0009540
   5314.2220000              0.0025120
   2072.0180000              0.0065640
    858.6188000              0.0163310
    373.5497000              0.0361860
    168.9229000              0.0663520
     78.2963900              0.0753430
     35.5212300             -0.0264870
     17.0414400             -0.3148050
      8.1730000             -0.4467120
      3.6103180              0.1601200
      1.6970470              0.7213240
      0.7435320              0.3823570
      0.1583440              0.0181880
      0.0750360             -0.0064150
Co    S
4675675.0000000             -0.0000040
 700161.5000000             -0.0000110
 159337.3000000             -0.0000300
  45130.4600000             -0.0000780
  14722.3800000             -0.0002040
   5314.2220000             -0.0005360
   2072.0180000             -0.0014020
    858.6188000             -0.0034900
    373.5497000             -0.0077400
    168.9229000             -0.0142400
     78.2963900             -0.0162270
     35.5212300              0.0056920
     17.0414400              0.0711360
      8.1730000              0.1054210
      3.6103180             -0.0461870
      1.6970470             -0.2220020
      0.7435320             -0.2286240
      0.1583440              0.2913320
      0.0750360              0.5630580
Co    S
4675675.0000000             -0.0000070
 700161.5000000             -0.0000220
 159337.3000000             -0.0000590
  45130.4600000             -0.0001550
  14722.3800000             -0.0003910
   5314.2220000             -0.0010810
   2072.0180000             -0.0026380
    858.6188000             -0.0071860
    373.5497000             -0.0141410
    168.9229000             -0.0308010
     78.2963900             -0.0250300
     35.5212300             -0.0064990
     17.0414400              0.1848310
      8.1730000              0.1464850
      3.6103180              0.0302550
      1.6970470             -0.9422380
      0.7435320              0.3006350
      0.1583440              1.7414180
      0.0750360             -0.8549780
Co    S
4675675.0000000             -0.0000130
 700161.5000000             -0.0000390
 159337.3000000             -0.0001060
  45130.4600000             -0.0002790
  14722.3800000             -0.0007010
   5314.2220000             -0.0019420
   2072.0180000             -0.0047230
    858.6188000             -0.0129400
    373.5497000             -0.0253430
    168.9229000             -0.0558190
     78.2963900             -0.0449660
     35.5212300             -0.0133060
     17.0414400              0.3496310
      8.1730000              0.3478650
      3.6103180             -0.2728950
      1.6970470             -2.0932430
      0.7435320              2.5711840
      0.1583440             -0.3869540
      0.0750360             -1.5896740
Co    S
      5.2255000              1.0000000
Co    S
      1.3638000              1.0000000
Co    S
      0.0330910              1.0000000
Co    S
      0.0145900              1.0000000
Co    P
  19267.7800000              0.0001300
   4560.9860000              0.0005820
   1481.4360000              0.0026480
    566.8671000              0.0103810
    240.4910000              0.0349630
    109.6105000              0.0972290
     52.5949100              0.2112480
     26.0836100              0.3338520
     13.2614300              0.3297510
      6.7997780              0.1522940
      3.3934140              0.0202650
      1.6487660             -0.0022850
      0.7762820             -0.0018110
      0.2972090             -0.0002960
      0.1133520              0.0000280
Co    P
  19267.7800000             -0.0000460
   4560.9860000             -0.0002080
   1481.4360000             -0.0009470
    566.8671000             -0.0037380
    240.4910000             -0.0127500
    109.6105000             -0.0364470
     52.5949100             -0.0822350
     26.0836100             -0.1369990
     13.2614300             -0.1371210
      6.7997780              0.0393210
      3.3934140              0.3412260
      1.6487660              0.4536340
      0.7762820              0.2761140
      0.2972090              0.0436650
      0.1133520             -0.0030700
Co    P
  19267.7800000             -0.0000100
   4560.9860000             -0.0000460
   1481.4360000             -0.0002090
    566.8671000             -0.0008250
    240.4910000             -0.0028170
    109.6105000             -0.0080680
     52.5949100             -0.0182680
     26.0836100             -0.0305860
     13.2614300             -0.0308830
      6.7997780              0.0123030
      3.3934140              0.0904310
      1.6487660              0.1308200
      0.7762820              0.0692110
      0.2972090             -0.2248820
      0.1133520             -0.5696560
Co    P
  19267.7800000              0.0000160
   4560.9860000              0.0000720
   1481.4360000              0.0003260
    566.8671000              0.0012980
    240.4910000              0.0043920
    109.6105000              0.0127000
     52.5949100              0.0284240
     26.0836100              0.0485330
     13.2614300              0.0477520
      6.7997780             -0.0166520
      3.3934140             -0.1536670
      1.6487660             -0.2056630
      0.7762820             -0.0721800
      0.2972090              0.4831410
      0.1133520              0.5994720
Co    P
  19267.7800000              0.0000330
   4560.9860000              0.0001460
   1481.4360000              0.0006970
    566.8671000              0.0026050
    240.4910000              0.0094500
    109.6105000              0.0253560
     52.5949100              0.0621220
     26.0836100              0.0939380
     13.2614300              0.1254080
      6.7997780             -0.0692560
      3.3934140             -0.4148930
      1.6487660             -0.5713060
      0.7762820              0.9059860
      0.2972090              0.6871310
      0.1133520             -0.8901150
Co    P
      7.7411000              1.0000000
Co    P
      1.7672000              1.0000000
Co    P
      0.0415100              1.0000000
Co    P
      0.0152000              1.0000000
Co    D
    128.3920000              0.0035050
     37.8938000              0.0255830
     13.8798000              0.0990840
      5.6254400              0.2391390
      2.3353900              0.3561510
      0.9351920              0.3604140
      0.3469530              0.2392120
Co    D
    128.3920000             -0.0040650
     37.8938000             -0.0297290
     13.8798000             -0.1184660
      5.6254400             -0.2897200
      2.3353900             -0.3203480
      0.9351920              0.0856800
      0.3469530              0.5591230
Co    D
    128.3920000              0.0054720
     37.8938000              0.0404550
     13.8798000              0.1672810
      5.6254400              0.4079820
      2.3353900              0.0937800
      0.9351920             -0.7662770
      0.3469530             -0.0083060
Co    D
      5.1384000              1.0000000
Co    D
      2.4056000              1.0000000
Co    D
      0.1117230              1.0000000
Co    D
      0.0359800              1.0000000
Co    F
      6.9240000              1.0000000
Co    F
      2.6244000              1.0000000
Co    F
      0.9170000              1.0000000
Co    F
      0.3204100              1.0000000
Co    G
      6.3248000              1.0000000
Co    G
      2.4229000              1.0000000
Co    G
      0.9281600              1.0000000
end
basis "Ni_aug-cc-pwcvtz-dk" 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Ni    S
5045991.0000000              0.0001570
 755614.2000000              0.0004530
 171956.8000000              0.0012370
  48704.7900000              0.0031650
  15888.4100000              0.0080950
   5735.1230000              0.0208040
   2236.1370000              0.0525340
    926.6468000              0.1221290
    403.1743000              0.2376390
    182.3476000              0.3303120
     84.5488500              0.2459140
     38.3963400              0.0722760
     18.4585900              0.0635120
      8.8635480              0.0618840
      3.9162270              0.0094000
      1.8388700             -0.0002190
      0.8043620             -0.0000790
      0.1697970             -0.0000050
      0.0793060              0.0000030
Ni    S
5045991.0000000             -0.0000710
 755614.2000000             -0.0002060
 171956.8000000             -0.0005620
  48704.7900000             -0.0014420
  15888.4100000             -0.0037060
   5735.1230000             -0.0096110
   2236.1370000             -0.0247360
    926.6468000             -0.0599030
    403.1743000             -0.1273860
    182.3476000             -0.2141810
     84.5488500             -0.2183240
     38.3963400              0.0525980
     18.4585900              0.5249320
      8.8635480              0.4880070
      3.9162270              0.0824840
      1.8388700             -0.0067950
      0.8043620             -0.0006430
      0.1697970             -0.0004920
      0.0793060              0.0003540
Ni    S
5045991.0000000              0.0000190
 755614.2000000              0.0000540
 171956.8000000              0.0001480
  48704.7900000              0.0003810
  15888.4100000              0.0009810
   5735.1230000              0.0025590
   2236.1370000              0.0066410
    926.6468000              0.0164600
    403.1743000              0.0364190
    182.3476000              0.0667320
     84.5488500              0.0757390
     38.3963400             -0.0275100
     18.4585900             -0.3190460
      8.8635480             -0.4449190
      3.9162270              0.1724220
      1.8388700              0.7155720
      0.8043620              0.3791720
      0.1697970              0.0199360
      0.0793060             -0.0074760
Ni    S
5045991.0000000             -0.0000040
 755614.2000000             -0.0000110
 171956.8000000             -0.0000310
  48704.7900000             -0.0000810
  15888.4100000             -0.0002080
   5735.1230000             -0.0005430
   2236.1370000             -0.0014080
    926.6468000             -0.0034930
    403.1743000             -0.0077330
    182.3476000             -0.0142230
     84.5488500             -0.0161810
     38.3963400              0.0058410
     18.4585900              0.0715790
      8.8635480              0.1037370
      3.9162270             -0.0483150
      1.8388700             -0.2193040
      0.8043620             -0.2208170
      0.1697970              0.2869700
      0.0793060              0.5599800
Ni    S
5045991.0000000             -0.0000080
 755614.2000000             -0.0000230
 171956.8000000             -0.0000620
  48704.7900000             -0.0001630
  15888.4100000             -0.0004080
   5735.1230000             -0.0011120
   2236.1370000             -0.0027090
    926.6468000             -0.0073090
    403.1743000             -0.0144650
    182.3476000             -0.0311820
     84.5488500             -0.0258350
     38.3963400             -0.0053470
     18.4585900              0.1860150
      8.8635480              0.1546580
      3.9162270              0.0114970
      1.8388700             -0.9445660
      0.8043620              0.3343100
      0.1697970              1.6418710
      0.0793060             -0.7399980
Ni    S
5045991.0000000             -0.0000140
 755614.2000000             -0.0000410
 171956.8000000             -0.0001120
  48704.7900000             -0.0002930
  15888.4100000             -0.0007340
   5735.1230000             -0.0019960
   2236.1370000             -0.0048850
    926.6468000             -0.0131080
    403.1743000             -0.0262220
    182.3476000             -0.0559520
     84.5488500             -0.0480980
     38.3963400             -0.0074570
     18.4585900              0.3403920
      8.8635480              0.3967560
      3.9162270             -0.3814920
      1.8388700             -1.9913800
      0.8043620              2.5352790
      0.1697970             -0.4325800
      0.0793060             -1.4869520
Ni    S
      5.8330000              1.0000000
Ni    S
      1.5231000              1.0000000
Ni    S
      0.0346770              1.0000000
Ni    S
      0.0151600              1.0000000
Ni    P
  21027.9200000              0.0001350
   4977.5600000              0.0005920
   1616.7400000              0.0026560
    618.6718000              0.0103370
    262.5183000              0.0347520
    119.6907000              0.0967040
     57.4658500              0.2106590
     28.5282900              0.3338280
     14.5214800              0.3302200
      7.4538500              0.1528010
      3.7235530              0.0201490
      1.8098130             -0.0027090
      0.8513360             -0.0021100
      0.3234058             -0.0003520
      0.1190210              0.0000360
Ni    P
  21027.9200000             -0.0000480
   4977.5600000             -0.0002120
   1616.7400000             -0.0009520
    618.6718000             -0.0037330
    262.5183000             -0.0127070
    119.6907000             -0.0363710
     57.4658500             -0.0822820
     28.5282900             -0.1376490
     14.5214800             -0.1371660
      7.4538500              0.0402870
      3.7235530              0.3422120
      1.8098130              0.4496570
      0.8513360              0.2777700
      0.3234058              0.0464150
      0.1190210             -0.0029490
Ni    P
  21027.9200000              0.0000100
   4977.5600000              0.0000430
   1616.7400000              0.0001930
    618.6718000              0.0007600
    262.5183000              0.0025820
    119.6907000              0.0074280
     57.4658500              0.0167980
     28.5282900              0.0283950
     14.5214800              0.0281620
      7.4538500             -0.0111460
      3.7235530             -0.0833490
      1.8098130             -0.1160880
      0.8513360             -0.0700600
      0.3234058              0.1995030
      0.1190210              0.5660100
Ni    P
  21027.9200000              0.0000200
   4977.5600000              0.0000880
   1616.7400000              0.0003950
    618.6718000              0.0015560
    262.5183000              0.0052820
    119.6907000              0.0152130
     57.4658500              0.0343730
     28.5282900              0.0584340
     14.5214800              0.0589690
      7.4538500             -0.0229370
      3.7235530             -0.1978840
      1.8098130             -0.2473250
      0.8513360              0.0095690
      0.3234058              0.5450030
      0.1190210              0.5235180
Ni    P
  21027.9200000              0.0000360
   4977.5600000              0.0001550
   1616.7400000              0.0007280
    618.6718000              0.0027250
    262.5183000              0.0097810
    119.6907000              0.0265470
     57.4658500              0.0644440
     28.5282900              0.0994710
     14.5214800              0.1302080
      7.4538500             -0.0707070
      3.7235530             -0.4819430
      1.8098130             -0.5056470
      0.8513360              1.0016490
      0.3234058              0.4887760
      0.1190210             -0.8793020
Ni    P
      8.7409000              1.0000000
Ni    P
      2.0073000              1.0000000
Ni    P
      0.0421620              1.0000000
Ni    P
      0.0149400              1.0000000
Ni    D
    142.5904000              0.0033890
     42.1021900              0.0249280
     15.4633700              0.0970560
      6.2838100              0.2338120
      2.6141700              0.3466580
      1.0480200              0.3517990
      0.3886520              0.2521850
Ni    D
    142.5904000             -0.0035270
     42.1021900             -0.0259470
     15.4633700             -0.1036600
      6.2838100             -0.2523870
      2.6141700             -0.2967270
      1.0480200             -0.0005790
      0.3886520              0.4403890
Ni    D
    142.5904000              0.0050760
     42.1021900              0.0378570
     15.4633700              0.1549620
      6.2838100              0.3852530
      2.6141700              0.1775600
      1.0480200             -0.6259900
      0.3886520             -0.3418510
Ni    D
      5.7767000              1.0000000
Ni    D
      2.6956000              1.0000000
Ni    D
      0.1246640              1.0000000
Ni    D
      0.0399900              1.0000000
Ni    F
      7.9164000              1.0000000
Ni    F
      3.0235000              1.0000000
Ni    F
      1.0680000              1.0000000
Ni    F
      0.3772500              1.0000000
Ni    G
      7.3017000              1.0000000
Ni    G
      2.9284000              1.0000000
Ni    G
      1.1744600              1.0000000
end
basis "Cu_aug-cc-pwcvtz-dk" 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Cu    S
5430321.0000000              0.0001580
 813166.5000000              0.0004520
 185054.4000000              0.0012290
  52414.6600000              0.0031200
  17098.6800000              0.0079120
   6171.9940000              0.0201420
   2406.4810000              0.0504620
    997.2584000              0.1166160
    433.9289000              0.2255430
    196.2869000              0.3101520
     91.0428000              0.2261390
     41.3842500              0.0769920
     19.9327800              0.1087550
      9.5818910              0.1029690
      4.2345160              0.0162990
      1.9858140             -0.0005390
      0.8670830             -0.0000020
      0.1813390             -0.0000380
      0.0836570              0.0000260
Cu    S
5430321.0000000             -0.0000890
 813166.5000000             -0.0002550
 185054.4000000             -0.0006940
  52414.6600000             -0.0017660
  17098.6800000             -0.0044980
   6171.9940000             -0.0115450
   2406.4810000             -0.0294180
    997.2584000             -0.0705170
    433.9289000             -0.1477880
    196.2869000             -0.2423800
     91.0428000             -0.2390600
     41.3842500              0.0476930
     19.9327800              0.5194670
      9.5818910              0.4781070
      4.2345160              0.0805580
      1.9858140             -0.0056280
      0.8670830             -0.0000720
      0.1813390             -0.0004330
      0.0836570              0.0003080
Cu    S
5430321.0000000              0.0000200
 813166.5000000              0.0000570
 185054.4000000              0.0001560
  52414.6600000              0.0003990
  17098.6800000              0.0010190
   6171.9940000              0.0026360
   2406.4810000              0.0067920
    997.2584000              0.0167720
    433.9289000              0.0370240
    196.2869000              0.0678320
     91.0428000              0.0767680
     41.3842500             -0.0285880
     19.9327800             -0.3262330
      9.5818910             -0.4451460
      4.2345160              0.1815320
      1.9858140              0.7219160
      0.8670830              0.3686320
      0.1813390              0.0163950
      0.0836570             -0.0055260
Cu    S
5430321.0000000             -0.0000040
 813166.5000000             -0.0000120
 185054.4000000             -0.0000320
  52414.6600000             -0.0000820
  17098.6800000             -0.0002080
   6171.9940000             -0.0005390
   2406.4810000             -0.0013880
    997.2584000             -0.0034300
    433.9289000             -0.0075790
    196.2869000             -0.0139340
     91.0428000             -0.0158250
     41.3842500              0.0058910
     19.9327800              0.0706480
      9.5818910              0.1003460
      4.2345160             -0.0494610
      1.9858140             -0.2136180
      0.8670830             -0.2122030
      0.1813390              0.2812990
      0.0836570              0.5560680
Cu    S
5430321.0000000             -0.0000080
 813166.5000000             -0.0000220
 185054.4000000             -0.0000590
  52414.6600000             -0.0001520
  17098.6800000             -0.0003780
   6171.9940000             -0.0010180
   2406.4810000             -0.0024730
    997.2584000             -0.0066140
    433.9289000             -0.0131520
    196.2869000             -0.0280830
     91.0428000             -0.0236610
     41.3842500             -0.0036580
     19.9327800              0.1674510
      9.5818910              0.1378490
      4.2345160              0.0016950
      1.9858140             -0.7988610
      0.8670830              0.2036390
      0.1813390              1.5496910
      0.0836570             -0.4950240
Cu    S
5430321.0000000             -0.0000150
 813166.5000000             -0.0000440
 185054.4000000             -0.0001200
  52414.6600000             -0.0003110
  17098.6800000             -0.0007720
   6171.9940000             -0.0020890
   2406.4810000             -0.0050510
    997.2584000             -0.0135990
    433.9289000             -0.0268750
    196.2869000             -0.0581380
     91.0428000             -0.0483310
     41.3842500             -0.0099160
     19.9327800              0.3623720
      9.5818910              0.3778960
      4.2345160             -0.3717270
      1.9858140             -1.9911290
      0.8670830              2.4682360
      0.1813390             -0.2144460
      0.0836570             -1.6347140
Cu    S
      6.4246000              1.0000000
Cu    S
      1.6537000              1.0000000
Cu    S
      0.0362670              1.0000000
Cu    S
      0.0157200              1.0000000
Cu    P
  22760.5700000              0.0001410
   5387.6790000              0.0006050
   1749.9450000              0.0026840
    669.6653000              0.0103700
    284.1948000              0.0347760
    129.6077000              0.0967260
     62.2541500              0.2108770
     30.9296400              0.3341900
     15.7582700              0.3295570
      8.0942110              0.1519250
      4.0469210              0.0205070
      1.9678690             -0.0019660
      0.9252950             -0.0016310
      0.3510930             -0.0002570
      0.1267990              0.0000250
Cu    P
  22760.5700000             -0.0000510
   5387.6790000             -0.0002200
   1749.9450000             -0.0009770
    669.6653000             -0.0038030
    284.1948000             -0.0129160
    129.6077000             -0.0369520
     62.2541500             -0.0837090
     30.9296400             -0.1400770
     15.7582700             -0.1384230
      8.0942110              0.0434860
      4.0469210              0.3460780
      1.9678690              0.4512300
      0.9252950              0.2726370
      0.3510930              0.0424640
      0.1267990             -0.0027690
Cu    P
  22760.5700000              0.0000100
   5387.6790000              0.0000430
   1749.9450000              0.0001900
    669.6653000              0.0007430
    284.1948000              0.0025150
    129.6077000              0.0072460
     62.2541500              0.0163750
     30.9296400              0.0277810
     15.7582700              0.0271200
      8.0942110             -0.0112260
      4.0469210             -0.0814740
      1.9678690             -0.1106180
      0.9252950             -0.0686690
      0.3510930              0.1921350
      0.1267990              0.5631450
Cu    P
  22760.5700000              0.0000190
   5387.6790000              0.0000830
   1749.9450000              0.0003680
    669.6653000              0.0014470
    284.1948000              0.0048660
    129.6077000              0.0141210
     62.2541500              0.0316400
     30.9296400              0.0545670
     15.7582700              0.0530450
      8.0942110             -0.0199460
      4.0469210             -0.1835090
      1.9678690             -0.2173260
      0.9252950             -0.0282170
      0.3510930              0.5289300
      0.1267990              0.5575620
Cu    P
  22760.5700000              0.0000390
   5387.6790000              0.0001630
   1749.9450000              0.0007550
    669.6653000              0.0027930
    284.1948000              0.0100480
    129.6077000              0.0271150
     62.2541500              0.0663200
     30.9296400              0.1015580
     15.7582700              0.1351580
      8.0942110             -0.0778810
      4.0469210             -0.4991720
      1.9678690             -0.4817090
      0.9252950              0.9798640
      0.3510930              0.5025340
      0.1267990             -0.8457230
Cu    P
      9.7547000              1.0000000
Cu    P
      2.2096000              1.0000000
Cu    P
      0.0441620              1.0000000
Cu    P
      0.0153800              1.0000000
Cu    D
    177.6850000              0.0027090
     52.5404000              0.0206850
     19.4769000              0.0836260
      8.0014600              0.2129230
      3.3989200              0.3355660
      1.4053800              0.3581080
      0.5453300              0.2664410
Cu    D
    177.6850000             -0.0033770
     52.5404000             -0.0258190
     19.4769000             -0.1072400
      8.0014600             -0.2805410
      3.3989200             -0.3487320
      1.4053800              0.0216090
      0.5453300              0.4916130
Cu    D
    177.6850000              0.0041660
     52.5404000              0.0328750
     19.4769000              0.1373620
      8.0014600              0.3890960
      3.3989200              0.1757660
      1.4053800             -0.6834990
      0.5453300             -0.2673480
Cu    D
      6.9655000              1.0000000
Cu    D
      3.3401000              1.0000000
Cu    D
      0.1881100              1.0000000
Cu    D
      0.0648900              1.0000000
Cu    F
      9.1618000              1.0000000
Cu    F
      3.5118000              1.0000000
Cu    F
      1.2594000              1.0000000
Cu    F
      0.4516500              1.0000000
Cu    G
      8.2715000              1.0000000
Cu    G
      3.4097000              1.0000000
Cu    G
      1.4055600              1.0000000
end
basis "Zn_aug-cc-pwcvtz-dk" 
#basis SET: (118s,79p,25d,4f,3g) -> [10s,9p,7d,4f,3g]
Zn    S
5820021.0000000              0.0001810
 871523.4000000              0.0005170
 198335.0000000              0.0013980
  56176.3100000              0.0035270
  18325.8200000              0.0088750
   6614.9550000              0.0224190
   2579.1990000              0.0558730
   1068.8490000              0.1290790
    465.1045000              0.2514150
    210.4130000              0.3533410
     97.6162900              0.2703150
     44.3802000              0.0652220
     21.4230800             -0.0012330
     10.3089100              0.0017950
      4.5536450             -0.0008220
      2.1328210              0.0003480
      0.9296970             -0.0001310
      0.1921470              0.0000440
      0.0875950             -0.0000340
Zn    S
5820021.0000000             -0.0000570
 871523.4000000             -0.0001630
 198335.0000000             -0.0004420
  56176.3100000             -0.0011190
  18325.8200000             -0.0028350
   6614.9550000             -0.0072510
   2579.1990000             -0.0185310
   1068.8490000             -0.0451410
    465.1045000             -0.0983060
    210.4130000             -0.1733870
     97.6162900             -0.1868340
     44.3802000              0.0652290
     21.4230800              0.5320160
     10.3089100              0.4835280
      4.5536450              0.0815730
      2.1328210             -0.0016950
      0.9296970              0.0018290
      0.1921470             -0.0003330
      0.0875950              0.0002590
Zn    S
5820021.0000000              0.0000220
 871523.4000000              0.0000620
 198335.0000000              0.0001680
  56176.3100000              0.0004250
  18325.8200000              0.0010750
   6614.9550000              0.0027590
   2579.1990000              0.0070580
   1068.8490000              0.0173590
    465.1045000              0.0381960
    210.4130000              0.0698660
     97.6162900              0.0785690
     44.3802000             -0.0304770
     21.4230800             -0.3364460
     10.3089100             -0.4468440
      4.5536450              0.1925050
      2.1328210              0.7303950
      0.9296970              0.3557030
      0.1921470              0.0116980
      0.0875950             -0.0051350
Zn    S
5820021.0000000              0.0000040
 871523.4000000              0.0000130
 198335.0000000              0.0000340
  56176.3100000              0.0000860
  18325.8200000              0.0002180
   6614.9550000              0.0005590
   2579.1990000              0.0014290
   1068.8490000              0.0035270
    465.1045000              0.0077430
    210.4130000              0.0143060
     97.6162900              0.0160020
     44.3802000             -0.0059930
     21.4230800             -0.0737340
     10.3089100             -0.0999900
      4.5536450              0.0503190
      2.1328210              0.2265840
      0.9296970              0.2085750
      0.1921470             -0.3426590
      0.0875950             -0.5537360
Zn    S
5820021.0000000             -0.0000120
 871523.4000000             -0.0000340
 198335.0000000             -0.0000920
  56176.3100000             -0.0002360
  18325.8200000             -0.0005790
   6614.9550000             -0.0015670
   2579.1990000             -0.0037110
   1068.8490000             -0.0101370
    465.1045000             -0.0194410
    210.4130000             -0.0435090
     97.6162900             -0.0328970
     44.3802000             -0.0116540
     21.4230800              0.2749530
     10.3089100              0.1925200
      4.5536450             -0.0335680
      2.1328210             -1.3737440
      0.9296970              0.8944720
      0.1921470              1.6527400
      0.0875950             -1.4224370
Zn    S
5820021.0000000              0.0000170
 871523.4000000              0.0000490
 198335.0000000              0.0001340
  56176.3100000              0.0003390
  18325.8200000              0.0008570
   6614.9550000              0.0022090
   2579.1990000              0.0056230
   1068.8490000              0.0139690
    465.1045000              0.0305880
    210.4130000              0.0573300
     97.6162900              0.0639310
     44.3802000             -0.0204920
     21.4230800             -0.3330400
     10.3089100             -0.5856710
      4.5536450              1.0017280
      2.1328210              1.4209710
      0.9296970             -2.7308990
      0.1921470              2.1871820
      0.0875950             -0.7685880
Zn    S
      7.1556000              1.0000000
Zn    S
      1.8229000              1.0000000
Zn    S
      0.0377020              1.0000000
Zn    S
      0.0162300              1.0000000
Zn    P
  24411.9800000              0.0001480
   5778.5180000              0.0006240
   1876.8620000              0.0027340
    718.2361000              0.0104840
    304.8327000              0.0350530
    139.0453000              0.0973300
     66.8041700              0.2119030
     33.2069900              0.3346760
     16.9281600              0.3270750
      8.6962290              0.1493830
      4.3505100              0.0223870
      2.1165230              0.0015560
      0.9953870              0.0004640
      0.3756390              0.0000630
      0.1338850             -0.0000010
Zn    P
  24411.9800000             -0.0000560
   5778.5180000             -0.0002340
   1876.8620000             -0.0010300
    718.2361000             -0.0039780
    304.8327000             -0.0134720
    139.0453000             -0.0384660
     66.8041700             -0.0870240
     33.2069900             -0.1450960
     16.9281600             -0.1409790
      8.6962290              0.0487290
      4.3505100              0.3525240
      2.1165230              0.4523900
      0.9953870              0.2638190
      0.3756390              0.0375680
      0.1338850             -0.0024730
Zn    P
  24411.9800000              0.0000100
   5778.5180000              0.0000430
   1876.8620000              0.0001900
    718.2361000              0.0007360
    304.8327000              0.0024840
    139.0453000              0.0071540
     66.8041700              0.0161380
     33.2069900              0.0273510
     16.9281600              0.0261260
      8.6962290             -0.0120490
      4.3505100             -0.0803120
      2.1165230             -0.1062960
      0.9953870             -0.0655610
      0.3756390              0.1890660
      0.1338850              0.5603730
Zn    P
  24411.9800000              0.0000180
   5778.5180000              0.0000750
   1876.8620000              0.0003250
    718.2361000              0.0012800
    304.8327000              0.0042430
    139.0453000              0.0124460
     66.8041700              0.0274640
     33.2069900              0.0481910
     16.9281600              0.0439460
      8.6962290             -0.0163250
      4.3505100             -0.1593140
      2.1165230             -0.1756920
      0.9953870             -0.0747810
      0.3756390              0.4845400
      0.1338850              0.6147430
Zn    P
  24411.9800000              0.0000410
   5778.5180000              0.0001670
   1876.8620000              0.0007710
    718.2361000              0.0028180
    304.8327000              0.0101770
    139.0453000              0.0271970
     66.8041700              0.0671150
     33.2069900              0.1011510
     16.9281600              0.1367580
      8.6962290             -0.0879950
      4.3505100             -0.4887840
      2.1165230             -0.4709370
      0.9953870              0.9185580
      0.3756390              0.5839990
      0.1338850             -0.8293170
Zn    P
     10.2625000              1.0000000
Zn    P
      2.3538000              1.0000000
Zn    P
      0.0460230              1.0000000
Zn    P
      0.0158200              1.0000000
Zn    D
    210.9473000              0.0023530
     62.3915100              0.0183840
     23.2648200              0.0762730
      9.6233420              0.2008410
      4.1394180              0.3289980
      1.7440790              0.3618560
      0.6953250              0.2736090
Zn    D
    210.9473000              0.0032890
     62.3915100              0.0258270
     23.2648200              0.1099330
      9.6233420              0.3017170
      4.1394180              0.3873400
      1.7440790             -0.0503910
      0.6953250             -0.5385100
Zn    D
    210.9473000              0.0037910
     62.3915100              0.0316320
     23.2648200              0.1315250
      9.6233420              0.4230030
      4.1394180              0.1330790
      1.7440790             -0.7721180
      0.6953250             -0.1077820
Zn    D
      7.7475000              1.0000000
Zn    D
      3.9438000              1.0000000
Zn    D
      0.2487240              1.0000000
Zn    D
      0.0889700              1.0000000
Zn    F
     10.2593000              1.0000000
Zn    F
      3.9810000              1.0000000
Zn    F
      1.4615000              1.0000000
Zn    F
      0.5365400              1.0000000
Zn    G
      9.2476000              1.0000000
Zn    G
      4.0243000              1.0000000
Zn    G
      1.7512600              1.0000000
end
basis "Y_aug-cc-pwcvtz-dk" 
#basis SET: (179s,124p,56d,4f,3g) -> [11s,10p,8d,4f,3g]
Y    S
125652000.0000000            0.0000380
20133700.0000000             0.0000990
4277710.0000000              0.0002750
1129920.0000000              0.0006340
 351974.0000000              0.0013810
 123945.0000000              0.0028690
  47739.9000000              0.0059230
  19619.2000000              0.0123320
   8450.3600000              0.0261600
   3769.0200000              0.0556820
   1727.9100000              0.1138630
    811.0400000              0.2051020
    389.1110000              0.2814370
    190.7170000              0.2287340
     95.4433000              0.0890280
     48.6821000              0.0824400
     25.2032000              0.1083430
     13.1419000              0.0442950
      6.8166900              0.0108440
      3.4533900              0.0084610
      1.6659100              0.0019320
      0.7900420             -0.0000540
      0.3582790              0.0000200
      0.0954820             -0.0000120
      0.0539170              0.0000090
Y    S
125652000.0000000           -0.0000220
20133700.0000000            -0.0000570
4277710.0000000             -0.0001590
1129920.0000000             -0.0003680
 351974.0000000             -0.0008030
 123945.0000000             -0.0016720
  47739.9000000             -0.0034650
  19619.2000000             -0.0072570
   8450.3600000             -0.0155630
   3769.0200000             -0.0337490
   1727.9100000             -0.0716650
    811.0400000             -0.1390300
    389.1110000             -0.2226090
    190.7170000             -0.2338900
     95.4433000             -0.0401650
     48.6821000              0.3553160
     25.2032000              0.5138360
     13.1419000              0.2129770
      6.8166900              0.0360490
      3.4533900              0.0200810
      1.6659100              0.0043340
      0.7900420             -0.0001540
      0.3582790              0.0000270
      0.0954820             -0.0000270
      0.0539170              0.0000190
Y    S
125652000.0000000            0.0000060
20133700.0000000             0.0000150
4277710.0000000              0.0000420
1129920.0000000              0.0000970
 351974.0000000              0.0002120
 123945.0000000              0.0004420
  47739.9000000              0.0009200
  19619.2000000              0.0019340
   8450.3600000              0.0041920
   3769.0200000              0.0092110
   1727.9100000              0.0201940
    811.0400000              0.0412260
    389.1110000              0.0731750
    190.7170000              0.0874300
     95.4433000              0.0099990
     48.6821000             -0.2504440
     25.2032000             -0.4946370
     13.1419000             -0.2142400
      6.8166900              0.4939470
      3.4533900              0.6907770
      1.6659100              0.1581590
      0.7900420              0.0015260
      0.3582790              0.0034050
      0.0954820             -0.0004310
      0.0539170              0.0003640
Y    S
125652000.0000000           -0.0000020
20133700.0000000            -0.0000050
4277710.0000000             -0.0000150
1129920.0000000             -0.0000350
 351974.0000000             -0.0000760
 123945.0000000             -0.0001590
  47739.9000000             -0.0003300
  19619.2000000             -0.0006950
   8450.3600000             -0.0015050
   3769.0200000             -0.0033110
   1727.9100000             -0.0072380
    811.0400000             -0.0148080
    389.1110000             -0.0261900
    190.7170000             -0.0316290
     95.4433000             -0.0034010
     48.6821000              0.0946240
     25.2032000              0.2044610
     13.1419000              0.0856020
      6.8166900             -0.2538650
      3.4533900             -0.6127890
      1.6659100             -0.1264940
      0.7900420              0.7436770
      0.3582790              0.5597720
      0.0954820              0.0475750
      0.0539170             -0.0190500
Y    S
125652000.0000000            0.0000010
20133700.0000000             0.0000010
4277710.0000000              0.0000040
1129920.0000000              0.0000100
 351974.0000000              0.0000210
 123945.0000000              0.0000430
  47739.9000000              0.0000900
  19619.2000000              0.0001900
   8450.3600000              0.0004100
   3769.0200000              0.0009050
   1727.9100000              0.0019740
    811.0400000              0.0040530
    389.1110000              0.0071420
    190.7170000              0.0087000
     95.4433000              0.0008310
     48.6821000             -0.0258900
     25.2032000             -0.0573760
     13.1419000             -0.0230220
      6.8166900              0.0712900
      3.4533900              0.1938920
      1.6659100              0.0312430
      0.7900420             -0.2852390
      0.3582790             -0.3947980
      0.0954820              0.1501200
      0.0539170              0.6757620
Y    S
125652000.0000000            0.0000010
20133700.0000000             0.0000020
4277710.0000000              0.0000070
1129920.0000000              0.0000160
 351974.0000000              0.0000350
 123945.0000000              0.0000720
  47739.9000000              0.0001520
  19619.2000000              0.0003130
   8450.3600000              0.0007010
   3769.0200000              0.0014760
   1727.9100000              0.0034120
    811.0400000              0.0065110
    389.1110000              0.0126710
    190.7170000              0.0128480
     95.4433000              0.0055480
     48.6821000             -0.0530480
     25.2032000             -0.0770720
     13.1419000             -0.0781360
      6.8166900              0.1960260
      3.4533900              0.2199610
      1.6659100              0.2714330
      0.7900420             -1.0439730
      0.3582790             -0.2222660
      0.0954820              2.6686410
      0.0539170             -1.3420860
Y    S
125652000.0000000            0.0000010
20133700.0000000             0.0000040
4277710.0000000              0.0000100
1129920.0000000              0.0000230
 351974.0000000              0.0000510
 123945.0000000              0.0001040
  47739.9000000              0.0002250
  19619.2000000              0.0004420
   8450.3600000              0.0010560
   3769.0200000              0.0020350
   1727.9100000              0.0052400
    811.0400000              0.0087090
    389.1110000              0.0202960
    190.7170000              0.0140590
     95.4433000              0.0191750
     48.6821000             -0.1030150
     25.2032000             -0.0627500
     13.1419000             -0.2157100
      6.8166900              0.4965000
      3.4533900              0.0288990
      1.6659100              0.9537960
      0.7900420             -3.3467460
      0.3582790              2.7612670
      0.0954820              1.3724070
      0.0539170             -3.9422120
Y    S
      1.8502000              1.0000000
Y    S
      0.4040000              1.0000000
Y    S
      0.0238090              1.0000000
Y    S
      0.0105000              1.0000000
Y    P
 899731.0000000              0.0000140
 150037.0000000              0.0000530
  34339.3000000              0.0002080
   9996.3200000              0.0007750
   3481.5200000              0.0028250
   1382.5800000              0.0097320
    603.4010000              0.0303590
    281.5920000              0.0828300
    137.7670000              0.1847570
     69.6793000              0.3116770
     36.0696000              0.3427930
     18.9597000              0.1889650
     10.0434000              0.0357120
      5.3130700             -0.0051850
      2.7721800             -0.0049220
      1.4017300             -0.0008290
      0.6837770              0.0000540
      0.3265150              0.0000940
      0.1331130              0.0000110
      0.0565070              0.0000020
Y    P
 899731.0000000             -0.0000060
 150037.0000000             -0.0000210
  34339.3000000             -0.0000840
   9996.3200000             -0.0003140
   3481.5200000             -0.0011490
   1382.5800000             -0.0039830
    603.4010000             -0.0126000
    281.5920000             -0.0352680
    137.7670000             -0.0819870
     69.6793000             -0.1459460
     36.0696000             -0.1639830
     18.9597000             -0.0007890
     10.0434000              0.2968570
      5.3130700              0.4753820
      2.7721800              0.2970230
      1.4017300              0.0496310
      0.6837770             -0.0016450
      0.3265150             -0.0031360
      0.1331130             -0.0004470
      0.0565070             -0.0000380
Y    P
 899731.0000000              0.0000020
 150037.0000000              0.0000070
  34339.3000000              0.0000280
   9996.3200000              0.0001060
   3481.5200000              0.0003890
   1382.5800000              0.0013490
    603.4010000              0.0042740
    281.5920000              0.0119970
    137.7670000              0.0280270
     69.6793000              0.0502390
     36.0696000              0.0566460
     18.9597000             -0.0063640
     10.0434000             -0.1256460
      5.3130700             -0.2231580
      2.7721800             -0.1444230
      1.4017300              0.2396110
      0.6837770              0.5197150
      0.3265150              0.3711800
      0.1331130              0.0688960
      0.0565070             -0.0032160
Y    P
 899731.0000000             -0.0000010
 150037.0000000             -0.0000020
  34339.3000000             -0.0000070
   9996.3200000             -0.0000280
   3481.5200000             -0.0001020
   1382.5800000             -0.0003530
    603.4010000             -0.0011180
    281.5920000             -0.0031360
    137.7670000             -0.0073370
     69.6793000             -0.0131460
     36.0696000             -0.0148640
     18.9597000              0.0018970
     10.0434000              0.0333980
      5.3130700              0.0606620
      2.7721800              0.0379810
      1.4017300             -0.0741550
      0.6837770             -0.1789410
      0.3265150             -0.1616030
      0.1331130              0.1999360
      0.0565070              0.6151410
Y    P
 899731.0000000             -0.0000010
 150037.0000000             -0.0000040
  34339.3000000             -0.0000170
   9996.3200000             -0.0000620
   3481.5200000             -0.0002350
   1382.5800000             -0.0007770
    603.4010000             -0.0025980
    281.5920000             -0.0068700
    137.7670000             -0.0172090
     69.6793000             -0.0281710
     36.0696000             -0.0376570
     18.9597000              0.0126630
     10.0434000              0.0591940
      5.3130700              0.1749240
      2.7721800              0.0307070
      1.4017300             -0.0601690
      0.6837770             -0.8888730
      0.3265150              0.3769820
      0.1331130              1.3851310
      0.0565070             -0.9603310
Y    P
 899731.0000000             -0.0000010
 150037.0000000             -0.0000050
  34339.3000000             -0.0000200
   9996.3200000             -0.0000700
   3481.5200000             -0.0002780
   1382.5800000             -0.0008700
    603.4010000             -0.0031000
    281.5920000             -0.0076420
    137.7670000             -0.0207720
     69.6793000             -0.0304950
     36.0696000             -0.0490530
     18.9597000              0.0273890
     10.0434000              0.0512960
      5.3130700              0.2533410
      2.7721800             -0.0539630
      1.4017300             -0.0228610
      0.6837770             -1.5625650
      0.3265150              2.3965880
      0.1331130             -0.9263150
      0.0565070             -0.9296140
Y    P
      2.0513000              1.0000000
Y    P
      0.6137000              1.0000000
Y    P
      0.0230720              1.0000000
Y    P
      0.0094000              1.0000000
Y    D
   1692.8100000              0.0001720
    495.3540000              0.0015040
    185.7570000              0.0088970
     80.7331000              0.0349980
     38.1052000              0.1020330
     18.7825000              0.2187390
      9.4512200              0.3241590
      4.7787300              0.3330020
      2.3834500              0.1976710
      1.1262500              0.0473440
      0.4918370              0.0020740
      0.2031270              0.0003690
      0.0806030             -0.0000910
Y    D
   1692.8100000             -0.0000310
    495.3540000             -0.0002740
    185.7570000             -0.0016290
     80.7331000             -0.0064310
     38.1052000             -0.0189300
     18.7825000             -0.0407270
      9.4512200             -0.0585640
      4.7787300             -0.0555840
      2.3834500              0.0031940
      1.1262500              0.1495820
      0.4918370              0.3059940
      0.2031270              0.3834170
      0.0806030              0.3322840
Y    D
   1692.8100000              0.0000350
    495.3540000              0.0003060
    185.7570000              0.0018110
     80.7331000              0.0071820
     38.1052000              0.0210830
     18.7825000              0.0455820
      9.4512200              0.0647290
      4.7787300              0.0610630
      2.3834500             -0.0122660
      1.1262500             -0.1866690
      0.4918370             -0.3892700
      0.2031270             -0.2383360
      0.0806030              0.4661860
Y    D
   1692.8100000             -0.0000420
    495.3540000             -0.0003750
    185.7570000             -0.0022030
     80.7331000             -0.0088120
     38.1052000             -0.0257040
     18.7825000             -0.0560910
      9.4512200             -0.0776040
      4.7787300             -0.0719720
      2.3834500              0.0271310
      1.1262500              0.2803270
      0.4918370              0.5362770
      0.2031270             -0.5530610
      0.0806030             -0.6755560
Y    D
      1.0628000              1.0000000
Y    D
      0.5073000              1.0000000
Y    D
      0.0303380              1.0000000
Y    D
      0.0114000              1.0000000
Y    F
      1.1743000              1.0000000
Y    F
      0.4182000              1.0000000
Y    F
      0.1232000              1.0000000
Y    F
      0.0363000              1.0000000
Y    G
      0.9633000              1.0000000
Y    G
      0.2762000              1.0000000
Y    G
      0.0792000              1.0000000
end
basis "Zr_aug-cc-pwcvtz-dk" 
#basis SET: (179s,124p,56d,4f,3g) -> [11s,10p,8d,4f,3g]
Zr    S
137465000.0000000            0.0000390
21983900.0000000             0.0001020
4663660.0000000              0.0002830
1230450.0000000              0.0006530
 382971.0000000              0.0014170
 134784.0000000              0.0029290
  51894.2000000              0.0060140
  21319.8000000              0.0124350
   9179.9200000              0.0261990
   4092.8100000              0.0554640
   1875.3900000              0.1132890
    879.6740000              0.2051980
    421.7030000              0.2861040
    206.5130000              0.2401140
    103.2640000              0.0943790
     52.6403000              0.0706840
     27.2498000              0.0937670
     14.2193000              0.0396260
      7.3900300              0.0103750
      3.7578500              0.0083670
      1.8239100              0.0019550
      0.8720740             -0.0000590
      0.3965840              0.0000130
      0.1045330             -0.0000110
      0.0556850              0.0000080
Zr    S
137465000.0000000           -0.0000210
21983900.0000000            -0.0000560
4663660.0000000             -0.0001540
1230450.0000000             -0.0003550
 382971.0000000             -0.0007720
 134784.0000000             -0.0015990
  51894.2000000             -0.0032960
  21319.8000000             -0.0068570
   9179.9200000             -0.0146080
   4092.8100000             -0.0315190
   1875.3900000             -0.0668790
    879.6740000             -0.1304680
    421.7030000             -0.2120310
    206.5130000             -0.2295690
    103.2640000             -0.0480050
     52.6403000              0.3457620
     27.2498000              0.5209040
     14.2193000              0.2244900
      7.3900300              0.0378260
      3.7578500              0.0202080
      1.8239100              0.0043710
      0.8720740             -0.0001770
      0.3965840             -0.0000130
      0.1045330             -0.0000230
      0.0556850              0.0000140
Zr    S
137465000.0000000            0.0000060
21983900.0000000             0.0000150
4663660.0000000              0.0000430
1230450.0000000              0.0000990
 382971.0000000              0.0002150
 134784.0000000              0.0004470
  51894.2000000              0.0009250
  21319.8000000              0.0019300
   9179.9200000              0.0041530
   4092.8100000              0.0090710
   1875.3900000              0.0198280
    879.6740000              0.0405300
    421.7030000              0.0724480
    206.5130000              0.0884220
    103.2640000              0.0150670
     52.6403000             -0.2428610
     27.2498000             -0.4974240
     14.2193000             -0.2335070
      7.3900300              0.4854210
      3.7578500              0.7020170
      1.8239100              0.1631350
      0.8720740              0.0016550
      0.3965840              0.0030010
      0.1045330             -0.0003620
      0.0556850              0.0002950
Zr    S
137465000.0000000           -0.0000020
21983900.0000000            -0.0000060
4663660.0000000             -0.0000160
1230450.0000000             -0.0000370
 382971.0000000             -0.0000800
 134784.0000000             -0.0001660
  51894.2000000             -0.0003430
  21319.8000000             -0.0007160
   9179.9200000             -0.0015380
   4092.8100000             -0.0033620
   1875.3900000             -0.0073280
    879.6740000             -0.0150040
    421.7030000             -0.0267120
    206.5130000             -0.0329150
    103.2640000             -0.0054230
     52.6403000              0.0942620
     27.2498000              0.2112000
     14.2193000              0.0974330
      7.3900300             -0.2577540
      3.7578500             -0.6437290
      1.8239100             -0.1211340
      0.8720740              0.7660700
      0.3965840              0.5479130
      0.1045330              0.0433770
      0.0556850             -0.0166790
Zr    S
137465000.0000000            0.0000010
21983900.0000000             0.0000020
4663660.0000000              0.0000040
1230450.0000000              0.0000100
 382971.0000000              0.0000220
 134784.0000000              0.0000460
  51894.2000000              0.0000940
  21319.8000000              0.0001970
   9179.9200000              0.0004230
   4092.8100000              0.0009270
   1875.3900000              0.0020180
    879.6740000              0.0041420
    421.7030000              0.0073600
    206.5130000              0.0091190
    103.2640000              0.0014430
     52.6403000             -0.0261460
     27.2498000             -0.0596490
     14.2193000             -0.0270770
      7.3900300              0.0741240
      3.7578500              0.2051780
      1.8239100              0.0316960
      0.8720740             -0.3079690
      0.3965840             -0.3842290
      0.1045330              0.2243790
      0.0556850              0.6526520
Zr    S
137465000.0000000            0.0000010
21983900.0000000             0.0000030
4663660.0000000              0.0000080
1230450.0000000              0.0000180
 382971.0000000              0.0000390
 134784.0000000              0.0000810
  51894.2000000              0.0001710
  21319.8000000              0.0003470
   9179.9200000              0.0007770
   4092.8100000              0.0016050
   1875.3900000              0.0037570
    879.6740000              0.0070360
    421.7030000              0.0141370
    206.5130000              0.0139740
    103.2640000              0.0082520
     52.6403000             -0.0600270
     27.2498000             -0.0805800
     14.2193000             -0.1032140
      7.3900300              0.2392630
      3.7578500              0.2188950
      1.8239100              0.3606080
      0.8720740             -1.3339990
      0.3965840              0.0562250
      0.1045330              2.5986730
      0.0556850             -1.5901640
Zr    S
137465000.0000000            0.0000020
21983900.0000000             0.0000040
4663660.0000000              0.0000120
1230450.0000000              0.0000270
 382971.0000000              0.0000580
 134784.0000000              0.0001180
  51894.2000000              0.0002540
  21319.8000000              0.0005000
   9179.9200000              0.0011710
   4092.8100000              0.0022820
   1875.3900000              0.0057400
    879.6740000              0.0098090
    421.7030000              0.0222160
    206.5130000              0.0172170
    103.2640000              0.0203720
     52.6403000             -0.1080960
     27.2498000             -0.0846130
     14.2193000             -0.2264530
      7.3900300              0.5213300
      3.7578500              0.1380690
      1.8239100              0.8852170
      0.8720740             -3.7091920
      0.3965840              3.4756970
      0.1045330             -0.2666100
      0.0556850             -2.2712720
Zr    S
      2.1192000              1.0000000
Zr    S
      0.4888000              1.0000000
Zr    S
      0.0249620              1.0000000
Zr    S
      0.0112000              1.0000000
Zr    P
1026890.0000000              0.0000140
 166325.0000000              0.0000540
  37381.9000000              0.0002110
  10771.6000000              0.0007820
   3733.5900000              0.0028240
   1480.4400000              0.0096440
    646.1670000              0.0299270
    301.6820000              0.0815930
    147.5910000              0.1827890
     74.5800000              0.3108630
     38.5385000              0.3449150
     20.2133000              0.1912910
     10.6887000              0.0358310
      5.6538700             -0.0055640
      2.9595100             -0.0049940
      1.5093500             -0.0007890
      0.7426710              0.0000320
      0.3561060              0.0000840
      0.1432030              0.0000050
      0.0613660              0.0000030
Zr    P
1026890.0000000             -0.0000060
 166325.0000000             -0.0000220
  37381.9000000             -0.0000860
  10771.6000000             -0.0003200
   3733.5900000             -0.0011590
   1480.4400000             -0.0039830
    646.1670000             -0.0125320
    301.6820000             -0.0350530
    147.5910000             -0.0818230
     74.5800000             -0.1469170
     38.5385000             -0.1665300
     20.2133000             -0.0019580
     10.6887000              0.3022470
      5.6538700              0.4800820
      2.9595100              0.2895230
      1.5093500              0.0460620
      0.7426710             -0.0010090
      0.3561060             -0.0026480
      0.1432030             -0.0002700
      0.0613660             -0.0000550
Zr    P
1026890.0000000              0.0000020
 166325.0000000              0.0000080
  37381.9000000              0.0000300
  10771.6000000              0.0001130
   3733.5900000              0.0004080
   1480.4400000              0.0014030
    646.1670000              0.0044240
    301.6820000              0.0124070
    147.5910000              0.0291180
     74.5800000              0.0526350
     38.5385000              0.0599290
     20.2133000             -0.0065290
     10.6887000             -0.1338850
      5.6538700             -0.2384410
      2.9595100             -0.1409390
      1.5093500              0.2670430
      0.7426710              0.5264040
      0.3561060              0.3500400
      0.1432030              0.0607950
      0.0613660             -0.0035120
Zr    P
1026890.0000000             -0.0000010
 166325.0000000             -0.0000020
  37381.9000000             -0.0000080
  10771.6000000             -0.0000310
   3733.5900000             -0.0001120
   1480.4400000             -0.0003850
    646.1670000             -0.0012160
    301.6820000             -0.0034030
    147.5910000             -0.0080150
     74.5800000             -0.0144450
     38.5385000             -0.0165750
     20.2133000              0.0022160
     10.6887000              0.0373230
      5.6538700              0.0690390
      2.9595100              0.0378250
      1.5093500             -0.0877260
      0.7426710             -0.2031560
      0.3561060             -0.1411200
      0.1432030              0.2623720
      0.0613660              0.6031610
Zr    P
1026890.0000000             -0.0000010
 166325.0000000             -0.0000030
  37381.9000000             -0.0000120
  10771.6000000             -0.0000440
   3733.5900000             -0.0001580
   1480.4400000             -0.0005440
    646.1670000             -0.0017170
    301.6820000             -0.0048120
    147.5910000             -0.0113090
     74.5800000             -0.0204390
     38.5385000             -0.0233420
     20.2133000              0.0029340
     10.6887000              0.0530020
      5.6538700              0.0969350
      2.9595100              0.0553000
      1.5093500             -0.1263110
      0.7426710             -0.2883080
      0.3561060             -0.2127200
      0.1432030              0.5617710
      0.0613660              0.5907190
Zr    P
1026890.0000000             -0.0000010
 166325.0000000             -0.0000050
  37381.9000000             -0.0000200
  10771.6000000             -0.0000730
   3733.5900000             -0.0002750
   1480.4400000             -0.0009030
    646.1670000             -0.0030050
    301.6820000             -0.0079310
    147.5910000             -0.0199890
     74.5800000             -0.0329840
     38.5385000             -0.0444290
     20.2133000              0.0152060
     10.6887000              0.0721590
      5.6538700              0.2108560
      2.9595100              0.0289350
      1.5093500             -0.1300640
      0.7426710             -1.0529780
      0.3561060              0.8409110
      0.1432030              1.1121990
      0.0613660             -1.1576550
Zr    P
      2.2454000              1.0000000
Zr    P
      0.6616000              1.0000000
Zr    P
      0.0253800              1.0000000
Zr    P
      0.0105000              1.0000000
Zr    D
   1873.9800000              0.0001650
    538.4570000              0.0014760
    201.3810000              0.0087010
     87.7228000              0.0342520
     41.4951000              0.1005890
     20.4746000              0.2180290
     10.3147000              0.3259560
      5.2323700              0.3343750
      2.6265600              0.1951030
      1.2521400              0.0452140
      0.5665690              0.0018540
      0.2447510              0.0004680
      0.1007930             -0.0001050
Zr    D
   1873.9800000             -0.0000360
    538.4570000             -0.0003200
    201.3810000             -0.0018890
     87.7228000             -0.0074860
     41.4951000             -0.0221550
     20.4746000             -0.0483830
     10.3147000             -0.0698250
      5.2323700             -0.0662840
      2.6265600              0.0093450
      1.2521400              0.1800330
      0.5665690              0.3375510
      0.2447510              0.3797130
      0.1007930              0.2816470
Zr    D
   1873.9800000              0.0000380
    538.4570000              0.0003410
    201.3810000              0.0020070
     87.7228000              0.0079710
     41.4951000              0.0235960
     20.4746000              0.0516520
     10.3147000              0.0737130
      5.2323700              0.0681610
      2.6265600             -0.0221710
      1.2521400             -0.2243400
      0.5665690             -0.4064670
      0.2447510             -0.1230570
      0.1007930              0.5401810
Zr    D
   1873.9800000             -0.0000510
    538.4570000             -0.0004560
    201.3810000             -0.0027100
     87.7228000             -0.0107010
     41.4951000             -0.0320450
     20.4746000             -0.0694640
     10.3147000             -0.0980730
      5.2323700             -0.0800630
      2.6265600              0.0548690
      1.2521400              0.4033390
      0.5665690              0.4207990
      0.2447510             -0.7613030
      0.1007930             -0.3936520
Zr    D
      1.2836000              1.0000000
Zr    D
      0.6138000              1.0000000
Zr    D
      0.0387210              1.0000000
Zr    D
      0.0149000              1.0000000
Zr    F
      1.4344000              1.0000000
Zr    F
      0.5562000              1.0000000
Zr    F
      0.1873000              1.0000000
Zr    F
      0.0631000              1.0000000
Zr    G
      1.2550000              1.0000000
Zr    G
      0.4157000              1.0000000
Zr    G
      0.1377000              1.0000000
end
basis "Nb_aug-cc-pwcvtz-dk" 
#basis SET: (179s,124p,56d,4f,3g) -> [11s,10p,8d,4f,3g]
Nb    S
148730000.0000000            0.0000410
23767800.0000000             0.0001070
5046420.0000000              0.0002940
1333380.0000000              0.0006750
 415571.0000000              0.0014590
 146370.0000000              0.0030020
  56350.8000000              0.0061330
  23127.9000000              0.0126210
   9940.2500000              0.0264740
   4420.8100000              0.0558980
   2019.8800000              0.1142690
    944.6900000              0.2081040
    451.6810000              0.2936160
    220.7490000              0.2517500
    110.2620000              0.0988110
     56.2091000              0.0565980
     29.1336000              0.0730030
     15.2394000              0.0313210
      7.9473000              0.0093030
      4.0572900              0.0079850
      1.9768800              0.0018860
      0.9521430             -0.0000610
      0.4336490              0.0000100
      0.1145890             -0.0000100
      0.0584420              0.0000070
Nb    S
148730000.0000000           -0.0000200
23767800.0000000            -0.0000530
5046420.0000000             -0.0001460
1333380.0000000             -0.0003340
 415571.0000000             -0.0007240
 146370.0000000             -0.0014930
  56350.8000000             -0.0030630
  23127.9000000             -0.0063440
   9940.2500000             -0.0134640
   4420.8100000             -0.0289990
   2019.8800000             -0.0616640
    944.6900000             -0.1212130
    451.6810000             -0.1998810
    220.7490000             -0.2214680
    110.2620000             -0.0490010
     56.2091000              0.3425590
     29.1336000              0.5252470
     15.2394000              0.2316160
      7.9473000              0.0391050
      4.0572900              0.0199740
      1.9768800              0.0043170
      0.9521430             -0.0002310
      0.4336490             -0.0000460
      0.1145890             -0.0000230
      0.0584420              0.0000130
Nb    S
148730000.0000000            0.0000060
23767800.0000000             0.0000160
5046420.0000000              0.0000440
1333380.0000000              0.0001010
 415571.0000000              0.0002180
 146370.0000000              0.0004510
  56350.8000000              0.0009280
  23127.9000000              0.0019290
   9940.2500000              0.0041300
   4420.8100000              0.0089920
   2019.8800000              0.0196400
    944.6900000              0.0402340
    451.6810000              0.0722700
    220.7490000              0.0891500
    110.2620000              0.0173520
     56.2091000             -0.2402570
     29.1336000             -0.4991280
     15.2394000             -0.2448270
      7.9473000              0.4815720
      4.0572900              0.7099620
      1.9768800              0.1650660
      0.9521430              0.0016990
      0.4336490              0.0027620
      0.1145890             -0.0003210
      0.0584420              0.0002510
Nb    S
148730000.0000000           -0.0000020
23767800.0000000            -0.0000060
5046420.0000000             -0.0000170
1333380.0000000             -0.0000380
 415571.0000000             -0.0000830
 146370.0000000             -0.0001720
  56350.8000000             -0.0003540
  23127.9000000             -0.0007350
   9940.2500000             -0.0015720
   4420.8100000             -0.0034260
   2019.8800000             -0.0074620
    944.6900000             -0.0153020
    451.6810000             -0.0273680
    220.7490000             -0.0340370
    110.2620000             -0.0064790
     56.2091000              0.0956110
     29.1336000              0.2170360
     15.2394000              0.1058950
      7.9473000             -0.2639330
      4.0572900             -0.6715680
      1.9768800             -0.1085610
      0.9521430              0.7849520
      0.4336490              0.5342750
      0.1145890              0.0397640
      0.0584420             -0.0144210
Nb    S
148730000.0000000            0.0000010
23767800.0000000             0.0000020
5046420.0000000              0.0000050
1333380.0000000              0.0000110
 415571.0000000              0.0000230
 146370.0000000              0.0000470
  56350.8000000              0.0000970
  23127.9000000              0.0002030
   9940.2500000              0.0004330
   4420.8100000              0.0009450
   2019.8800000              0.0020560
    944.6900000              0.0042220
    451.6810000              0.0075480
    220.7490000              0.0094170
    110.2620000              0.0017690
     56.2091000             -0.0266170
     29.1336000             -0.0612000
     15.2394000             -0.0298710
      7.9473000              0.0768170
      4.0572900              0.2140280
      1.9768800              0.0285210
      0.9521430             -0.3245640
      0.4336490             -0.3700090
      0.1145890              0.2587600
      0.0584420              0.6441050
Nb    S
148730000.0000000            0.0000010
23767800.0000000             0.0000030
5046420.0000000              0.0000090
1333380.0000000              0.0000200
 415571.0000000              0.0000420
 146370.0000000              0.0000870
  56350.8000000              0.0001820
  23127.9000000              0.0003670
   9940.2500000              0.0008210
   4420.8100000              0.0016860
   2019.8800000              0.0039570
    944.6900000              0.0073850
    451.6810000              0.0150090
    220.7490000              0.0147870
    110.2620000              0.0096260
     56.2091000             -0.0641220
     29.1336000             -0.0833920
     15.2394000             -0.1175960
      7.9473000              0.2639850
      4.0572900              0.2260250
      1.9768800              0.3977440
      0.9521430             -1.4946160
      0.4336490              0.2297770
      0.1145890              2.4372080
      0.0584420             -1.5738370
Nb    S
148730000.0000000            0.0000020
23767800.0000000             0.0000050
5046420.0000000              0.0000130
1333380.0000000              0.0000290
 415571.0000000              0.0000640
 146370.0000000              0.0001300
  56350.8000000              0.0002750
  23127.9000000              0.0005450
   9940.2500000              0.0012510
   4420.8100000              0.0024790
   2019.8800000              0.0060800
    944.6900000              0.0107370
    451.6810000              0.0234840
    220.7490000              0.0200450
    110.2620000              0.0199520
     56.2091000             -0.1102060
     29.1336000             -0.1055590
     15.2394000             -0.2244700
      7.9473000              0.5229320
      4.0572900              0.2652400
      1.9768800              0.7120250
      0.9521430             -3.7592960
      0.4336490              3.7656100
      0.1145890             -1.0027180
      0.0584420             -1.4369880
Nb    S
      2.3674000              1.0000000
Nb    S
      0.5760000              1.0000000
Nb    S
      0.0261710              1.0000000
Nb    S
      0.0117000              1.0000000
Nb    P
1081950.0000000              0.0000150
 178505.0000000              0.0000550
  40400.2000000              0.0002130
  11646.1000000              0.0007810
   4025.9500000              0.0027980
   1590.7600000              0.0095200
    692.1700000              0.0295350
    322.4500000              0.0806560
    157.5390000              0.1812980
     79.5406000              0.3098780
     41.0712000              0.3460410
     21.5218000              0.1933500
     11.3695000              0.0364850
      6.0122400             -0.0053490
      3.1533300             -0.0047070
      1.6193400             -0.0007060
      0.8011640              0.0000120
      0.3849500              0.0000720
      0.1534890              0.0000010
      0.0654720              0.0000030
Nb    P
1081950.0000000             -0.0000060
 178505.0000000             -0.0000230
  40400.2000000             -0.0000880
  11646.1000000             -0.0003230
   4025.9500000             -0.0011610
   1590.7600000             -0.0039790
    692.1700000             -0.0125140
    322.4500000             -0.0350620
    157.5390000             -0.0820970
     79.5406000             -0.1482120
     41.0712000             -0.1690290
     21.5218000             -0.0035330
     11.3695000              0.3067500
      6.0122400              0.4848860
      3.1533300              0.2827780
      1.6193400              0.0428690
      0.8011640             -0.0004370
      0.3849500             -0.0022680
      0.1534890             -0.0001410
      0.0654720             -0.0000700
Nb    P
1081950.0000000              0.0000020
 178505.0000000              0.0000080
  40400.2000000              0.0000320
  11646.1000000              0.0001170
   4025.9500000              0.0004210
   1590.7600000              0.0014440
    692.1700000              0.0045510
    322.4500000              0.0127820
    157.5390000              0.0301060
     79.5406000              0.0547220
     41.0712000              0.0627290
     21.5218000             -0.0065180
     11.3695000             -0.1412030
      6.0122400             -0.2524050
      3.1533300             -0.1357600
      1.6193400              0.2922750
      0.8011640              0.5296340
      0.3849500              0.3314770
      0.1534890              0.0542130
      0.0654720             -0.0034560
Nb    P
1081950.0000000             -0.0000010
 178505.0000000             -0.0000020
  40400.2000000             -0.0000090
  11646.1000000             -0.0000320
   4025.9500000             -0.0001160
   1590.7600000             -0.0003980
    692.1700000             -0.0012590
    322.4500000             -0.0035260
    157.5390000             -0.0083400
     79.5406000             -0.0151020
     41.0712000             -0.0174760
     21.5218000              0.0023180
     11.3695000              0.0396640
      6.0122400              0.0740170
      3.1533300              0.0359800
      1.6193400             -0.0977950
      0.8011640             -0.2127080
      0.3849500             -0.1204140
      0.1534890              0.2917430
      0.0654720              0.5912140
Nb    P
1081950.0000000             -0.0000010
 178505.0000000             -0.0000030
  40400.2000000             -0.0000130
  11646.1000000             -0.0000470
   4025.9500000             -0.0001710
   1590.7600000             -0.0005830
    692.1700000             -0.0018480
    322.4500000             -0.0051640
    157.5390000             -0.0122450
     79.5406000             -0.0221060
     41.0712000             -0.0257350
     21.5218000              0.0035940
     11.3695000              0.0576340
      6.0122400              0.1096990
      3.1533300              0.0520880
      1.6193400             -0.1418920
      0.8011640             -0.3298490
      0.3849500             -0.1568540
      0.1534890              0.6292060
      0.0654720              0.5198610
Nb    P
1081950.0000000             -0.0000010
 178505.0000000             -0.0000050
  40400.2000000             -0.0000210
  11646.1000000             -0.0000770
   4025.9500000             -0.0002860
   1590.7600000             -0.0009390
    692.1700000             -0.0031050
    322.4500000             -0.0082690
    157.5390000             -0.0207510
     79.5406000             -0.0348160
     41.0712000             -0.0463250
     21.5218000              0.0147710
     11.3695000              0.0803410
      6.0122400              0.2209270
      3.1533300              0.0334430
      1.6193400             -0.2002930
      0.8011640             -1.0346950
      0.3849500              0.9987380
      0.1534890              0.9322770
      0.0654720             -1.1496270
Nb    P
      2.4940000              1.0000000
Nb    P
      0.7293000              1.0000000
Nb    P
      0.0270960              1.0000000
Nb    P
      0.0112000              1.0000000
Nb    D
   2047.1800000              0.0001570
    599.8590000              0.0013530
    224.1360000              0.0081000
     97.1815000              0.0325480
     45.9133000              0.0965810
     22.7242000              0.2118530
     11.5075000              0.3227170
      5.8693800              0.3378230
      2.9685200              0.2005590
      1.4328500              0.0475920
      0.6629510              0.0021660
      0.2940320              0.0004910
      0.1239340             -0.0001120
Nb    D
   2047.1800000             -0.0000380
    599.8590000             -0.0003270
    224.1360000             -0.0019570
     97.1815000             -0.0079200
     45.9133000             -0.0236740
     22.7242000             -0.0524380
     11.5075000             -0.0771350
      5.8693800             -0.0748630
      2.9685200              0.0085390
      1.4328500              0.1936060
      0.6629510              0.3516780
      0.2940320              0.3741950
      0.1239340              0.2573040
Nb    D
   2047.1800000              0.0000390
    599.8590000              0.0003390
    224.1360000              0.0020300
     97.1815000              0.0082370
     45.9133000              0.0246380
     22.7242000              0.0547380
     11.5075000              0.0794650
      5.8693800              0.0746190
      2.9685200             -0.0244160
      1.4328500             -0.2434820
      0.6629510             -0.4058840
      0.2940320             -0.0692540
      0.1239340              0.5462220
Nb    D
   2047.1800000             -0.0000570
    599.8590000             -0.0004800
    224.1360000             -0.0029260
     97.1815000             -0.0117090
     45.9133000             -0.0358010
     22.7242000             -0.0780390
     11.5075000             -0.1128190
      5.8693800             -0.0870670
      2.9685200              0.0687310
      1.4328500              0.4755960
      0.6629510              0.3420330
      0.2940320             -0.8311780
      0.1239340             -0.2779220
Nb    D
      1.5173000              1.0000000
Nb    D
      0.7381000              1.0000000
Nb    D
      0.0483960              1.0000000
Nb    D
      0.0189000              1.0000000
Nb    F
      1.7043000              1.0000000
Nb    F
      0.6966000              1.0000000
Nb    F
      0.2533000              1.0000000
Nb    F
      0.0921000              1.0000000
Nb    G
      1.5560000              1.0000000
Nb    G
      0.5817000              1.0000000
Nb    G
      0.2175000              1.0000000
end
basis "Mo_aug-cc-pwcvtz-dk" 
#basis SET: (179s,124p,56d,4f,3g) -> [11s,10p,8d,4f,3g]
Mo    S
162227000.0000000            0.0000430
25688100.0000000             0.0001130
5428430.0000000              0.0003120
1432080.0000000              0.0007130
 446571.0000000              0.0015320
 157565.0000000              0.0031310
  60800.4000000              0.0063490
  25011.8000000              0.0129570
  10771.0000000              0.0269590
   4796.8400000              0.0565710
   2193.2000000              0.1154950
   1025.7600000              0.2118170
    490.1640000              0.3050670
    239.3290000              0.2726880
    119.4130000              0.1085990
     60.8193000              0.0311930
     31.5113000              0.0337550
     16.4919000              0.0144760
      8.6161400              0.0066790
      4.4141500              0.0068920
      2.1627000              0.0017280
      1.0461000             -0.0000530
      0.4762780              0.0000120
      0.1268570             -0.0000100
      0.0638610              0.0000060
Mo    S
162227000.0000000           -0.0000170
25688100.0000000            -0.0000460
5428430.0000000             -0.0001270
1432080.0000000             -0.0002900
 446571.0000000             -0.0006250
 157565.0000000             -0.0012800
  60800.4000000             -0.0026090
  25011.8000000             -0.0053630
  10771.0000000             -0.0113070
   4796.8400000             -0.0242550
   2193.2000000             -0.0517120
   1025.7600000             -0.1029860
    490.1640000             -0.1749000
    239.3290000             -0.2038080
    119.4130000             -0.0524740
     60.8193000              0.3315870
     31.5113000              0.5329750
     16.4919000              0.2456630
      8.6161400              0.0418160
      4.4141500              0.0205410
      2.1627000              0.0045370
      1.0461000             -0.0002940
      0.4762780             -0.0001050
      0.1268570             -0.0000250
      0.0638610              0.0000120
Mo    S
162227000.0000000            0.0000060
25688100.0000000             0.0000160
5428430.0000000              0.0000450
1432080.0000000              0.0001040
 446571.0000000              0.0002230
 157565.0000000              0.0004580
  60800.4000000              0.0009350
  25011.8000000              0.0019260
  10771.0000000              0.0040900
   4796.8400000              0.0088380
   2193.2000000              0.0192220
   1025.7600000              0.0394110
    490.1640000              0.0713080
    239.3290000              0.0899960
    119.4130000              0.0229770
     60.8193000             -0.2304730
     31.5113000             -0.5003740
     16.4919000             -0.2664810
      8.6161400              0.4671500
      4.4141500              0.7226830
      2.1627000              0.1735690
      1.0461000              0.0018230
      0.4762780              0.0025560
      0.1268570             -0.0003390
      0.0638610              0.0002540
Mo    S
162227000.0000000           -0.0000020
25688100.0000000            -0.0000060
5428430.0000000             -0.0000180
1432080.0000000             -0.0000400
 446571.0000000             -0.0000870
 157565.0000000             -0.0001780
  60800.4000000             -0.0003640
  25011.8000000             -0.0007510
  10771.0000000             -0.0015920
   4796.8400000             -0.0034440
   2193.2000000             -0.0074690
   1025.7600000             -0.0153240
    490.1640000             -0.0276010
    239.3290000             -0.0350830
    119.4130000             -0.0088450
     60.8193000              0.0935010
     31.5113000              0.2216680
     16.4919000              0.1190100
      8.6161400             -0.2618900
      4.4141500             -0.6954170
      2.1627000             -0.1131260
      1.0461000              0.7962080
      0.4762780              0.5331810
      0.1268570              0.0387520
      0.0638610             -0.0137460
Mo    S
162227000.0000000            0.0000010
25688100.0000000             0.0000020
5428430.0000000              0.0000050
1432080.0000000              0.0000110
 446571.0000000              0.0000240
 157565.0000000              0.0000490
  60800.4000000              0.0000990
  25011.8000000              0.0002050
  10771.0000000              0.0004350
   4796.8400000              0.0009410
   2193.2000000              0.0020390
   1025.7600000              0.0041890
    490.1640000              0.0075440
    239.3290000              0.0096130
    119.4130000              0.0024130
     60.8193000             -0.0258250
     31.5113000             -0.0619260
     16.4919000             -0.0334550
      8.6161400              0.0758980
      4.4141500              0.2199000
      2.1627000              0.0297750
      1.0461000             -0.3303870
      0.4762780             -0.3598590
      0.1268570              0.2478020
      0.0638610              0.6410330
Mo    S
162227000.0000000            0.0000010
25688100.0000000             0.0000030
5428430.0000000              0.0000090
1432080.0000000              0.0000210
 446571.0000000              0.0000450
 157565.0000000              0.0000910
  60800.4000000              0.0001890
  25011.8000000              0.0003780
  10771.0000000              0.0008380
   4796.8400000              0.0017090
   2193.2000000              0.0039900
   1025.7600000              0.0074660
    490.1640000              0.0152260
    239.3290000              0.0155120
    119.4130000              0.0107860
     60.8193000             -0.0632730
     31.5113000             -0.0871520
     16.4919000             -0.1252170
      8.6161400              0.2657180
      4.4141500              0.2413300
      2.1627000              0.4142440
      1.0461000             -1.5497140
      0.4762780              0.2795180
      0.1268570              2.3193200
      0.0638610             -1.4392150
Mo    S
162227000.0000000            0.0000020
25688100.0000000             0.0000050
5428430.0000000              0.0000140
1432080.0000000              0.0000320
 446571.0000000              0.0000690
 157565.0000000              0.0001400
  60800.4000000              0.0002920
  25011.8000000              0.0005780
  10771.0000000              0.0013010
   4796.8400000              0.0026000
   2193.2000000              0.0062270
   1025.7600000              0.0112900
    490.1640000              0.0240220
    239.3290000              0.0226650
    119.4130000              0.0198790
     60.8193000             -0.1063440
     31.5113000             -0.1260250
     16.4919000             -0.2195240
      8.6161400              0.4965450
      4.4141500              0.3930060
      2.1627000              0.5776010
      1.0461000             -3.7540260
      0.4762780              3.8634390
      0.1268570             -1.2209960
      0.0638610             -1.1453990
Mo    S
      2.6873000              1.0000000
Mo    S
      0.6522000              1.0000000
Mo    S
      0.0281070              1.0000000
Mo    S
      0.0124000              1.0000000
Mo    P
1206380.0000000              0.0000150
 200084.0000000              0.0000550
  45281.8000000              0.0002070
  13010.1000000              0.0007480
   4474.9900000              0.0026550
   1758.5000000              0.0090060
    761.2450000              0.0280320
    353.1500000              0.0771040
    172.0400000              0.1752570
     86.7370000              0.3039310
     44.7887000              0.3475700
     23.5044000              0.2025980
     12.4520000              0.0425910
      6.6120500             -0.0028980
      3.4870300             -0.0036770
      1.8033000             -0.0005880
      0.8939430              0.0000180
      0.4285930              0.0000700
      0.1701960              0.0000020
      0.0716650              0.0000020
Mo    P
1206380.0000000             -0.0000060
 200084.0000000             -0.0000230
  45281.8000000             -0.0000870
  13010.1000000             -0.0003160
   4474.9900000             -0.0011260
   1758.5000000             -0.0038440
    761.2450000             -0.0121250
    353.1500000             -0.0341830
    172.0400000             -0.0808960
     86.7370000             -0.1480080
     44.7887000             -0.1740180
     23.5044000             -0.0169970
     12.4520000              0.2938150
      6.6120500              0.4869490
      3.4870300              0.2947520
      1.8033000              0.0473630
      0.8939430             -0.0003780
      0.4285930             -0.0023640
      0.1701960             -0.0001630
      0.0716650             -0.0000630
Mo    P
1206380.0000000              0.0000020
 200084.0000000              0.0000080
  45281.8000000              0.0000320
  13010.1000000              0.0001160
   4474.9900000              0.0004140
   1758.5000000              0.0014130
    761.2450000              0.0044670
    353.1500000              0.0126280
    172.0400000              0.0300720
     86.7370000              0.0554390
     44.7887000              0.0656020
     23.5044000             -0.0014620
     12.4520000             -0.1396540
      6.6120500             -0.2601410
      3.4870300             -0.1484840
      1.8033000              0.2907740
      0.8939430              0.5350980
      0.4285930              0.3336620
      0.1701960              0.0538120
      0.0716650             -0.0033760
Mo    P
1206380.0000000              0.0000010
 200084.0000000              0.0000020
  45281.8000000              0.0000090
  13010.1000000              0.0000320
   4474.9900000              0.0001130
   1758.5000000              0.0003870
    761.2450000              0.0012260
    353.1500000              0.0034590
    172.0400000              0.0082700
     86.7370000              0.0151950
     44.7887000              0.0181410
     23.5044000             -0.0008960
     12.4520000             -0.0390370
      6.6120500             -0.0757210
      3.4870300             -0.0397200
      1.8033000              0.0976010
      0.8939430              0.2133040
      0.4285930              0.1173450
      0.1701960             -0.2870540
      0.0716650             -0.5891390
Mo    P
1206380.0000000             -0.0000010
 200084.0000000             -0.0000040
  45281.8000000             -0.0000140
  13010.1000000             -0.0000490
   4474.9900000             -0.0001750
   1758.5000000             -0.0005950
    761.2450000             -0.0018950
    353.1500000             -0.0053190
    172.0400000             -0.0127850
     86.7370000             -0.0233360
     44.7887000             -0.0282080
     23.5044000              0.0018820
     12.4520000              0.0591650
      6.6120500              0.1192730
      3.4870300              0.0589200
      1.8033000             -0.1483110
      0.8939430             -0.3626210
      0.4285930             -0.1214220
      0.1701960              0.6465160
      0.0716650              0.4914620
Mo    P
1206380.0000000             -0.0000020
 200084.0000000             -0.0000060
  45281.8000000             -0.0000220
  13010.1000000             -0.0000780
   4474.9900000             -0.0002890
   1758.5000000             -0.0009480
    761.2450000             -0.0031370
    353.1500000             -0.0084320
    172.0400000             -0.0213280
     86.7370000             -0.0364610
     44.7887000             -0.0495890
     23.5044000              0.0115670
     12.4520000              0.0832840
      6.6120500              0.2325200
      3.4870300              0.0500170
      1.8033000             -0.2401780
      0.8939430             -1.0327420
      0.4285930              1.0666440
      0.1701960              0.8318460
      0.0716650             -1.1222900
Mo    P
      2.8219000              1.0000000
Mo    P
      0.8168000              1.0000000
Mo    P
      0.0292390              1.0000000
Mo    P
      0.0119000              1.0000000
Mo    D
   2176.1800000              0.0001630
    623.7920000              0.0014450
    231.7980000              0.0086280
    100.5040000              0.0344030
     47.5065000              0.1016110
     23.5103000              0.2202730
     11.9078000              0.3299860
      6.0820200              0.3348450
      3.0807100              0.1856540
      1.4852500              0.0393380
      0.6892400              0.0014100
      0.3073880              0.0004510
      0.1305320             -0.0000990
Mo    D
   2176.1800000             -0.0000420
    623.7920000             -0.0003760
    231.7980000             -0.0022460
    100.5040000             -0.0090320
     47.5065000             -0.0268800
     23.5103000             -0.0588460
     11.9078000             -0.0847910
      6.0820200             -0.0784200
      3.0807100              0.0257280
      1.4852500              0.2293670
      0.6892400              0.3725650
      0.3073880              0.3577360
      0.1305320              0.2187660
Mo    D
   2176.1800000              0.0000430
    623.7920000              0.0003800
    231.7980000              0.0022850
    100.5040000              0.0091540
     47.5065000              0.0274530
     23.5103000              0.0598630
     11.9078000              0.0857070
      6.0820200              0.0730670
      3.0807100             -0.0421480
      1.4852500             -0.2892500
      0.6892400             -0.3951860
      0.3073880              0.0520610
      0.1305320              0.5781250
Mo    D
   2176.1800000             -0.0000640
    623.7920000             -0.0005580
    231.7980000             -0.0033850
    100.5040000             -0.0134850
     47.5065000             -0.0410260
     23.5103000             -0.0885620
     11.9078000             -0.1236640
      6.0820200             -0.0878110
      3.0807100              0.1169900
      1.4852500              0.5726770
      0.6892400              0.1386100
      0.3073880             -0.9149480
      0.1305320              0.0060120
Mo    D
      1.6931000              1.0000000
Mo    D
      0.8182000              1.0000000
Mo    D
      0.0512460              1.0000000
Mo    D
      0.0201000              1.0000000
Mo    F
      1.9595000              1.0000000
Mo    F
      0.8265000              1.0000000
Mo    F
      0.3136000              1.0000000
Mo    F
      0.1190000              1.0000000
Mo    G
      1.8095000              1.0000000
Mo    G
      0.7188000              1.0000000
Mo    G
      0.2855000              1.0000000
end
basis "Tc_aug-cc-pwcvtz-dk" 
#basis SET: (179s,124p,56d,4f,3g) -> [11s,10p,8d,4f,3g]
Tc    S
178961000.0000000            0.0000430
28148200.0000000             0.0001140
5914010.0000000              0.0003140
1552760.0000000              0.0007180
 482395.0000000              0.0015410
 169737.0000000              0.0031420
  65376.0000000              0.0063430
  26865.3000000              0.0128650
  11564.1000000              0.0265800
   5150.3200000              0.0553900
   2355.6900000              0.1125490
   1102.3400000              0.2063370
    527.0590000              0.2990520
    257.4680000              0.2719330
    128.5040000              0.1126190
     65.4587000              0.0375590
     33.9144000              0.0437580
     17.7481000              0.0196590
      9.2726700              0.0081340
      4.7523800              0.0081610
      2.3310300              0.0020330
      1.1301700             -0.0000570
      0.5131080              0.0000130
      0.1304190             -0.0000100
      0.0638980              0.0000070
Tc    S
178961000.0000000           -0.0000190
28148200.0000000            -0.0000490
5914010.0000000             -0.0001350
1552760.0000000             -0.0003090
 482395.0000000             -0.0006650
 169737.0000000             -0.0013590
  65376.0000000             -0.0027560
  26865.3000000             -0.0056310
  11564.1000000             -0.0117810
   5150.3200000             -0.0250750
   2355.6900000             -0.0530900
   1102.3400000             -0.1052320
    527.0590000             -0.1783810
    257.4680000             -0.2095460
    128.5040000             -0.0629670
     65.4587000              0.3179020
     33.9144000              0.5332110
     17.7481000              0.2551560
      9.2726700              0.0449990
      4.7523800              0.0227030
      2.3310300              0.0049700
      1.1301700             -0.0002370
      0.5131080             -0.0000920
      0.1304190             -0.0000180
      0.0638980              0.0000080
Tc    S
178961000.0000000            0.0000060
28148200.0000000             0.0000170
5914010.0000000              0.0000460
1552760.0000000              0.0001060
 482395.0000000              0.0002290
 169737.0000000              0.0004680
  65376.0000000              0.0009530
  26865.3000000              0.0019510
  11564.1000000              0.0041130
   5150.3200000              0.0088260
   2355.6900000              0.0191010
   1102.3400000              0.0390900
    527.0590000              0.0709630
    257.4680000              0.0909350
    128.5040000              0.0274540
     65.4587000             -0.2234740
     33.9144000             -0.5028100
     17.7481000             -0.2858970
      9.2726700              0.4598010
      4.7523800              0.7330610
      2.3310300              0.1760240
      1.1301700              0.0021870
      0.5131080              0.0024930
      0.1304190             -0.0002820
      0.0638980              0.0002220
Tc    S
178961000.0000000           -0.0000030
28148200.0000000            -0.0000070
5914010.0000000             -0.0000180
1552760.0000000             -0.0000420
 482395.0000000             -0.0000910
 169737.0000000             -0.0001850
  65376.0000000             -0.0003770
  26865.3000000             -0.0007720
  11564.1000000             -0.0016260
   5150.3200000             -0.0034910
   2355.6900000             -0.0075330
   1102.3400000             -0.0154220
    527.0590000             -0.0278620
    257.4680000             -0.0359250
    128.5040000             -0.0107650
     65.4587000              0.0918410
     33.9144000              0.2257930
     17.7481000              0.1309140
      9.2726700             -0.2642190
      4.7523800             -0.7202240
      2.3310300             -0.1028710
      1.1301700              0.8117620
      0.5131080              0.5218420
      0.1304190              0.0351890
      0.0638980             -0.0127690
Tc    S
178961000.0000000            0.0000010
28148200.0000000             0.0000020
5914010.0000000              0.0000050
1552760.0000000              0.0000110
 482395.0000000              0.0000240
 169737.0000000              0.0000500
  65376.0000000              0.0001010
  26865.3000000              0.0002070
  11564.1000000              0.0004350
   5150.3200000              0.0009350
   2355.6900000              0.0020160
   1102.3400000              0.0041320
    527.0590000              0.0074660
    257.4680000              0.0096460
    128.5040000              0.0028900
     65.4587000             -0.0248900
     33.9144000             -0.0618080
     17.7481000             -0.0362310
      9.2726700              0.0754020
      4.7523800              0.2236020
      2.3310300              0.0248900
      1.1301700             -0.3329940
      0.5131080             -0.3418400
      0.1304190              0.2850890
      0.0638980              0.6232290
Tc    S
178961000.0000000            0.0000010
28148200.0000000             0.0000030
5914010.0000000              0.0000090
1552760.0000000              0.0000220
 482395.0000000              0.0000470
 169737.0000000              0.0000950
  65376.0000000              0.0001960
  26865.3000000              0.0003890
  11564.1000000              0.0008580
   5150.3200000              0.0017310
   2355.6900000              0.0040390
   1102.3400000              0.0074900
    527.0590000              0.0154580
    257.4680000              0.0157540
    128.5040000              0.0122800
     65.4587000             -0.0635560
     33.9144000             -0.0871020
     17.7481000             -0.1366610
      9.2726700              0.2761530
      4.7523800              0.2425900
      2.3310300              0.4418520
      1.1301700             -1.6460860
      0.5131080              0.4232050
      0.1304190              2.2050540
      0.0638980             -1.4702530
Tc    S
178961000.0000000            0.0000020
28148200.0000000             0.0000050
5914010.0000000              0.0000150
1552760.0000000              0.0000330
 482395.0000000              0.0000720
 169737.0000000              0.0001460
  65376.0000000              0.0003030
  26865.3000000              0.0006030
  11564.1000000              0.0013250
   5150.3200000              0.0026850
   2355.6900000              0.0062370
   1102.3400000              0.0116520
    527.0590000              0.0238440
    257.4680000              0.0248310
    128.5040000              0.0182700
     65.4587000             -0.0979380
     33.9144000             -0.1470280
     17.7481000             -0.1982040
      9.2726700              0.4388850
      4.7523800              0.5325560
      2.3310300              0.4184560
      1.1301700             -3.6812570
      0.5131080              3.8999050
      0.1304190             -1.5926540
      0.0638980             -0.6172010
Tc    S
      2.9549000              1.0000000
Tc    S
      0.7437000              1.0000000
Tc    S
      0.0284770              1.0000000
Tc    S
      0.0127000              1.0000000
Tc    P
1341110.0000000              0.0000150
 223449.0000000              0.0000540
  50289.1000000              0.0002060
  14301.8000000              0.0007400
   4864.9100000              0.0026260
   1893.2600000              0.0089310
    813.7200000              0.0278940
    375.8210000              0.0769050
    182.6910000              0.1751450
     92.0455000              0.3045590
     47.5245000              0.3498630
     24.9323000              0.2044260
     13.1975000              0.0401360
      7.0011400             -0.0078320
      3.6931800             -0.0064270
      1.9177400             -0.0009580
      0.9528720              0.0000480
      0.4573390              0.0001060
      0.1805310              0.0000040
      0.0752910              0.0000030
Tc    P
1341110.0000000             -0.0000060
 223449.0000000             -0.0000230
  50289.1000000             -0.0000850
  14301.8000000             -0.0003070
   4864.9100000             -0.0010940
   1893.2600000             -0.0037460
    813.7200000             -0.0118550
    375.8210000             -0.0335210
    182.6910000             -0.0795270
     92.0455000             -0.1460930
     47.5245000             -0.1725010
     24.9323000             -0.0163100
     13.1975000              0.2987230
      7.0011400              0.4925100
      3.6931800              0.2883970
      1.9177400              0.0435590
      0.9528720             -0.0007580
      0.4573390             -0.0025530
      0.1805310             -0.0001370
      0.0752910             -0.0000690
Tc    P
1341110.0000000              0.0000020
 223449.0000000              0.0000090
  50289.1000000              0.0000330
  14301.8000000              0.0001170
   4864.9100000              0.0004190
   1893.2600000              0.0014340
    813.7200000              0.0045490
    375.8210000              0.0128910
    182.6910000              0.0307600
     92.0455000              0.0568800
     47.5245000              0.0675890
     24.9323000             -0.0012950
     13.1975000             -0.1455070
      7.0011400             -0.2719500
      3.6931800             -0.1411130
      1.9177400              0.3140090
      0.9528720              0.5364510
      0.4573390              0.3167580
      0.1805310              0.0478290
      0.0752910             -0.0030480
Tc    P
1341110.0000000             -0.0000010
 223449.0000000             -0.0000020
  50289.1000000             -0.0000090
  14301.8000000             -0.0000320
   4864.9100000             -0.0001130
   1893.2600000             -0.0003850
    813.7200000             -0.0012240
    375.8210000             -0.0034600
    182.6910000             -0.0082870
     92.0455000             -0.0152770
     47.5245000             -0.0183080
     24.9323000              0.0008390
     13.1975000              0.0399270
      7.0011400              0.0775620
      3.6931800              0.0366150
      1.9177400             -0.1039740
      0.9528720             -0.2105780
      0.4573390             -0.1018400
      0.1805310              0.2924190
      0.0752910              0.5825860
Tc    P
1341110.0000000             -0.0000010
 223449.0000000             -0.0000040
  50289.1000000             -0.0000140
  14301.8000000             -0.0000510
   4864.9100000             -0.0001840
   1893.2600000             -0.0006260
    813.7200000             -0.0020040
    375.8210000             -0.0056270
    182.6910000             -0.0135870
     92.0455000             -0.0247950
     47.5245000             -0.0302750
     24.9323000              0.0022220
     13.1975000              0.0637270
      7.0011400              0.1306480
      3.6931800              0.0554210
      1.9177400             -0.1678540
      0.9528720             -0.3953770
      0.4573390             -0.0513970
      0.1805310              0.6680980
      0.0752910              0.4465640
Tc    P
1341110.0000000             -0.0000020
 223449.0000000             -0.0000060
  50289.1000000             -0.0000230
  14301.8000000             -0.0000820
   4864.9100000             -0.0002990
   1893.2600000             -0.0009910
    813.7200000             -0.0032650
    375.8210000             -0.0088730
    182.6910000             -0.0222830
     92.0455000             -0.0386770
     47.5245000             -0.0517820
     24.9323000              0.0107390
     13.1975000              0.0937030
      7.0011400              0.2422200
      3.6931800              0.0577850
      1.9177400             -0.3227350
      0.9528720             -1.0029390
      0.4573390              1.2167690
      0.1805310              0.6344150
      0.0752910             -1.0760190
Tc    P
      3.1053000              1.0000000
Tc    P
      0.8939000              1.0000000
Tc    P
      0.0304790              1.0000000
Tc    P
      0.0123000              1.0000000
Tc    D
   2481.8700000              0.0001470
    697.0580000              0.0013290
    257.4370000              0.0079720
    111.6320000              0.0320700
     52.8611000              0.0959310
     26.2047000              0.2127570
     13.2981000              0.3266690
      6.8185100              0.3388620
      3.4826200              0.1933480
      1.7064600              0.0433620
      0.8045800              0.0020080
      0.3630130              0.0004560
      0.1545410             -0.0000580
Tc    D
   2481.8700000             -0.0000400
    697.0580000             -0.0003670
    257.4370000             -0.0022000
    111.6320000             -0.0089220
     52.8611000             -0.0269030
     26.2047000             -0.0603340
     13.2981000             -0.0893810
      6.8185100             -0.0847870
      3.4826200              0.0209990
      1.7064600              0.2292420
      0.8045800              0.3731980
      0.3630130              0.3559500
      0.1545410              0.2172430
Tc    D
   2481.8700000              0.0000400
    697.0580000              0.0003580
    257.4370000              0.0021620
    111.6320000              0.0087300
     52.8611000              0.0265440
     26.2047000              0.0593390
     13.2981000              0.0873960
      6.8185100              0.0756220
      3.4826200             -0.0335180
      1.7064600             -0.2818520
      0.8045800             -0.3974720
      0.3630130              0.0432450
      0.1545410              0.5763730
Tc    D
   2481.8700000             -0.0000630
    697.0580000             -0.0005610
    257.4370000             -0.0034270
    111.6320000             -0.0137590
     52.8611000             -0.0424820
     26.2047000             -0.0941600
     13.2981000             -0.1349860
      6.8185100             -0.0964510
      3.4826200              0.1169460
      1.7064600              0.6181420
      0.8045800              0.1134760
      0.3630130             -0.9378260
      0.1545410              0.0451100
Tc    D
      1.9326000              1.0000000
Tc    D
      0.9486000              1.0000000
Tc    D
      0.0602240              1.0000000
Tc    D
      0.0235000              1.0000000
Tc    F
      2.2152000              1.0000000
Tc    F
      0.9564000              1.0000000
Tc    F
      0.3737000              1.0000000
Tc    F
      0.1460000              1.0000000
Tc    G
      2.0514000              1.0000000
Tc    G
      0.8539000              1.0000000
Tc    G
      0.3554000              1.0000000
end
basis "Ru_aug-cc-pwcvtz-dk" 
#basis SET: (179s,124p,56d,4f,3g) -> [11s,10p,8d,4f,3g]
Ru    S
192708000.0000000            0.0000430
30168800.0000000             0.0001140
6339070.0000000              0.0003130
1668940.0000000              0.0007100
 520455.0000000              0.0015130
 183800.0000000              0.0030630
  70986.5000000              0.0061410
  29211.0000000              0.0123760
  12572.0000000              0.0254270
   5590.3500000              0.0527840
   2549.9300000              0.1071880
   1189.0600000              0.1971680
    566.3840000              0.2875370
    275.7140000              0.2633660
    137.2420000              0.1126640
     69.8096000              0.0551880
     36.1751000              0.0735220
     18.9686000              0.0345760
      9.9474900              0.0113210
      5.1249000              0.0102330
      2.5290800              0.0025890
      1.2282400             -0.0000550
      0.5576660              0.0000190
      0.1412190             -0.0000110
      0.0677970              0.0000070
Ru    S
192708000.0000000           -0.0000220
30168800.0000000            -0.0000570
6339070.0000000             -0.0001560
1668940.0000000             -0.0003550
 520455.0000000             -0.0007580
 183800.0000000             -0.0015390
  70986.5000000             -0.0030990
  29211.0000000             -0.0062850
  12572.0000000             -0.0130610
   5590.3500000             -0.0276330
   2549.9300000             -0.0582250
   1189.0600000             -0.1149260
    566.3840000             -0.1935060
    275.7140000             -0.2260240
    137.2420000             -0.0751900
     69.8096000              0.3072190
     36.1751000              0.5283130
     18.9686000              0.2587270
      9.9474900              0.0479550
      5.1249000              0.0251360
      2.5290800              0.0057370
      1.2282400             -0.0001660
      0.5576660             -0.0000400
      0.1412190             -0.0000170
      0.0677970              0.0000090
Ru    S
192708000.0000000            0.0000070
30168800.0000000             0.0000180
6339070.0000000              0.0000480
1668940.0000000              0.0001100
 520455.0000000              0.0002340
 183800.0000000              0.0004760
  70986.5000000              0.0009620
  29211.0000000              0.0019580
  12572.0000000              0.0041060
   5590.3500000              0.0087800
   2549.9300000              0.0189830
   1189.0600000              0.0389780
    566.3840000              0.0712210
    275.7140000              0.0925470
    137.2420000              0.0306350
     69.8096000             -0.2207380
     36.1751000             -0.5059410
     18.9686000             -0.2986110
      9.9474900              0.4492940
      5.1249000              0.7395890
      2.5290800              0.1826020
      1.2282400              0.0034490
      0.5576660              0.0029330
      0.1412190             -0.0002380
      0.0677970              0.0002020
Ru    S
192708000.0000000           -0.0000030
30168800.0000000            -0.0000070
6339070.0000000             -0.0000190
1668940.0000000             -0.0000440
 520455.0000000             -0.0000940
 183800.0000000             -0.0001910
  70986.5000000             -0.0003850
  29211.0000000             -0.0007830
  12572.0000000             -0.0016400
   5590.3500000             -0.0035080
   2549.9300000             -0.0075650
   1189.0600000             -0.0155340
    566.3840000             -0.0282560
    275.7140000             -0.0369270
    137.2420000             -0.0121770
     69.8096000              0.0918450
     36.1751000              0.2302230
     18.9686000              0.1396390
      9.9474900             -0.2641930
      5.1249000             -0.7396320
      2.5290800             -0.1040900
      1.2282400              0.8185660
      0.5576660              0.5210750
      0.1412190              0.0347060
      0.0677970             -0.0119300
Ru    S
192708000.0000000            0.0000010
30168800.0000000             0.0000020
6339070.0000000              0.0000050
1668940.0000000              0.0000120
 520455.0000000              0.0000250
 183800.0000000              0.0000500
  70986.5000000              0.0001010
  29211.0000000              0.0002070
  12572.0000000              0.0004320
   5590.3500000              0.0009250
   2549.9300000              0.0019940
   1189.0600000              0.0040990
    566.3840000              0.0074550
    275.7140000              0.0097680
    137.2420000              0.0032110
     69.8096000             -0.0244990
     36.1751000             -0.0621450
     18.9686000             -0.0380230
      9.9474900              0.0742580
      5.1249000              0.2271880
      2.5290800              0.0232510
      1.2282400             -0.3313700
      0.5576660             -0.3331680
      0.1412190              0.2761890
      0.0677970              0.6217720
Ru    S
192708000.0000000            0.0000010
30168800.0000000             0.0000040
6339070.0000000              0.0000100
1668940.0000000              0.0000240
 520455.0000000              0.0000510
 183800.0000000              0.0001020
  70986.5000000              0.0002090
  29211.0000000              0.0004130
  12572.0000000              0.0009030
   5590.3500000              0.0018220
   2549.9300000              0.0042320
   1189.0600000              0.0079160
    566.3840000              0.0163240
    275.7140000              0.0171370
    137.2420000              0.0133870
     69.8096000             -0.0661850
     36.1751000             -0.0942920
     18.9686000             -0.1476670
      9.9474900              0.2896810
      5.1249000              0.2757290
      2.5290800              0.4451830
      1.2282400             -1.7607630
      0.5576660              0.5554240
      0.1412190              2.0537870
      0.0677970             -1.3630430
Ru    S
192708000.0000000            0.0000020
30168800.0000000             0.0000050
6339070.0000000              0.0000150
1668940.0000000              0.0000340
 520455.0000000              0.0000720
 183800.0000000              0.0001470
  70986.5000000              0.0002990
  29211.0000000              0.0005990
  12572.0000000              0.0012830
   5590.3500000              0.0026640
   2549.9300000              0.0059650
   1189.0600000              0.0117050
    566.3840000              0.0226950
    275.7140000              0.0267800
    137.2420000              0.0143220
     69.8096000             -0.0845700
     36.1751000             -0.1692620
     18.9686000             -0.1546610
      9.9474900              0.3409410
      5.1249000              0.6767680
      2.5290800              0.2555380
      1.2282400             -3.5119980
      0.5576660              3.7906500
      0.1412190             -1.5455260
      0.0677970             -0.6554390
Ru    S
      3.2904000              1.0000000
Ru    S
      0.8599000              1.0000000
Ru    S
      0.0299500              1.0000000
Ru    S
      0.0132000              1.0000000
Ru    P
1452000.0000000              0.0000160
 242440.0000000              0.0000550
  54514.6000000              0.0002070
  15468.7000000              0.0007370
   5248.3500000              0.0025880
   2037.6900000              0.0087400
    874.0680000              0.0272330
    403.0030000              0.0752290
    195.5710000              0.1724010
     98.3394000              0.3026450
     50.6490000              0.3516500
     26.4932000              0.2078440
     13.9803000              0.0417110
      7.3979000             -0.0064740
      3.9002600             -0.0054520
      2.0320700             -0.0007630
      1.0086100              0.0000240
      0.4819550              0.0000870
      0.1850400             -0.0000010
      0.0762420              0.0000030
Ru    P
1452000.0000000             -0.0000070
 242440.0000000             -0.0000230
  54514.6000000             -0.0000870
  15468.7000000             -0.0003110
   5248.3500000             -0.0010960
   2037.6900000             -0.0037280
    874.0680000             -0.0117680
    403.0030000             -0.0333290
    195.5710000             -0.0795170
     98.3394000             -0.1474680
     50.6490000             -0.1762520
     26.4932000             -0.0196990
     13.9803000              0.3033190
      7.3979000              0.4980940
      3.9002600              0.2815930
      2.0320700              0.0404230
      1.0086100             -0.0003950
      0.4819550             -0.0022270
      0.1850400             -0.0000530
      0.0762420             -0.0000720
Ru    P
1452000.0000000              0.0000030
 242440.0000000              0.0000090
  54514.6000000              0.0000340
  15468.7000000              0.0001210
   5248.3500000              0.0004250
   2037.6900000              0.0014470
    874.0680000              0.0045760
    403.0030000              0.0129940
    195.5710000              0.0311910
     98.3394000              0.0582600
     50.6490000              0.0701040
     26.4932000             -0.0003640
     13.9803000             -0.1519670
      7.3979000             -0.2839930
      3.9002600             -0.1329090
      2.0320700              0.3370420
      1.0086100              0.5386410
      0.4819550              0.2994580
      0.1850400              0.0409390
      0.0762420             -0.0031450
Ru    P
1452000.0000000             -0.0000010
 242440.0000000             -0.0000020
  54514.6000000             -0.0000090
  15468.7000000             -0.0000310
   5248.3500000             -0.0001090
   2037.6900000             -0.0003710
    874.0680000             -0.0011790
    403.0030000             -0.0033370
    195.5710000             -0.0080470
     98.3394000             -0.0149740
     50.6490000             -0.0181950
     26.4932000              0.0006240
     13.9803000              0.0399400
      7.3979000              0.0778640
      3.9002600              0.0321270
      2.0320700             -0.1072560
      1.0086100             -0.2039290
      0.4819550             -0.0832740
      0.1850400              0.3000320
      0.0762420              0.5736740
Ru    P
1452000.0000000             -0.0000010
 242440.0000000             -0.0000040
  54514.6000000             -0.0000160
  15468.7000000             -0.0000560
   5248.3500000             -0.0001990
   2037.6900000             -0.0006690
    874.0680000             -0.0021410
    403.0030000             -0.0060000
    195.5710000             -0.0146490
     98.3394000             -0.0268340
     50.6490000             -0.0335550
     26.4932000              0.0026000
     13.9803000              0.0699410
      7.3979000              0.1473520
      3.9002600              0.0507380
      2.0320700             -0.1932550
      1.0086100             -0.4491210
      0.4819550              0.0579430
      0.1850400              0.7129020
      0.0762420              0.3585830
Ru    P
1452000.0000000             -0.0000020
 242440.0000000             -0.0000060
  54514.6000000             -0.0000240
  15468.7000000             -0.0000860
   5248.3500000             -0.0003100
   2037.6900000             -0.0010280
    874.0680000             -0.0033530
    403.0030000             -0.0092050
    195.5710000             -0.0230360
     98.3394000             -0.0409390
     50.6490000             -0.0542620
     26.4932000              0.0090420
     13.9803000              0.1061360
      7.3979000              0.2503260
      3.9002600              0.0712790
      2.0320700             -0.4298390
      1.0086100             -0.9502270
      0.4819550              1.4174230
      0.1850400              0.3255950
      0.0762420             -1.0012110
Ru    P
      3.4601000              1.0000000
Ru    P
      0.9728000              1.0000000
Ru    P
      0.0306540              1.0000000
Ru    P
      0.0123000              1.0000000
Ru    D
   2542.3500000              0.0001550
    743.0080000              0.0012990
    276.9520000              0.0077890
    119.6690000              0.0319190
     56.3448000              0.0967720
     27.8568000              0.2147630
     14.1591000              0.3281110
      7.2956800              0.3375300
      3.7509000              0.1893340
      1.8552600              0.0417930
      0.8820590              0.0021340
      0.4006220              0.0005090
      0.1713310              0.0000170
Ru    D
   2542.3500000             -0.0000450
    743.0080000             -0.0003750
    276.9520000             -0.0022530
    119.6690000             -0.0093050
     56.3448000             -0.0284640
     27.8568000             -0.0638600
     14.1591000             -0.0941660
      7.2956800             -0.0878080
      3.7509000              0.0272670
      1.8552600              0.2411360
      0.8820590              0.3760150
      0.4006220              0.3479190
      0.1713310              0.2077240
Ru    D
   2542.3500000              0.0000440
    743.0080000              0.0003680
    276.9520000              0.0022170
    119.6690000              0.0091350
     56.3448000              0.0281380
     27.8568000              0.0630960
     14.1591000              0.0920460
      7.2956800              0.0779820
      3.7509000             -0.0415170
      1.8552600             -0.3024460
      0.8820590             -0.3908460
      0.4006220              0.0893140
      0.1713310              0.5664890
Ru    D
   2542.3500000             -0.0000680
    743.0080000             -0.0005600
    276.9520000             -0.0034280
    119.6690000             -0.0139950
     56.3448000             -0.0439260
     27.8568000             -0.0976020
     14.1591000             -0.1382830
      7.2956800             -0.0910010
      3.7509000              0.1225150
      1.8552600              0.6496760
      0.8820590              0.0300890
      0.4006220             -0.9156450
      0.1713310              0.0780680
Ru    D
      2.1520000              1.0000000
Ru    D
      1.0637000              1.0000000
Ru    D
      0.0668650              1.0000000
Ru    D
      0.0261000              1.0000000
Ru    F
      2.4761000              1.0000000
Ru    F
      1.0946000              1.0000000
Ru    F
      0.4386000              1.0000000
Ru    F
      0.1757000              1.0000000
Ru    G
      2.3080000              1.0000000
Ru    G
      1.0050000              1.0000000
Ru    G
      0.4376000              1.0000000
end
basis "Rh_aug-cc-pwcvtz-dk" 
#basis SET: (179s,124p,56d,4f,3g) -> [11s,10p,8d,4f,3g]
Rh    S
213061000.0000000            0.0000410
33108100.0000000             0.0001100
6913440.0000000              0.0003010
1810980.0000000              0.0006840
 562527.0000000              0.0014550
 198074.0000000              0.0029370
  76340.6000000              0.0058650
  31371.2000000              0.0117520
  13490.6000000              0.0239790
   5996.1200000              0.0494270
   2734.3600000              0.0997830
   1274.8500000              0.1829520
    607.1210000              0.2665460
    295.4460000              0.2442990
    146.9910000              0.1089850
     74.7215000              0.0817500
     38.6938000              0.1214490
     20.2775000              0.0595890
     10.6314000              0.0166220
      5.4796100              0.0135140
      2.7083200              0.0033440
      1.3188500             -0.0000500
      0.6001000              0.0000260
      0.1559670             -0.0000120
      0.0744570              0.0000070
Rh    S
213061000.0000000           -0.0000260
33108100.0000000            -0.0000680
6913440.0000000             -0.0001870
1810980.0000000             -0.0004250
 562527.0000000             -0.0009060
 198074.0000000             -0.0018340
  76340.6000000             -0.0036760
  31371.2000000             -0.0074080
  13490.6000000             -0.0152700
   5996.1200000             -0.0320130
   2734.3600000             -0.0667870
   1274.8500000             -0.1304240
    607.1210000             -0.2165740
    295.4460000             -0.2499370
    146.9910000             -0.0927970
     74.7215000              0.2900700
     38.6938000              0.5194750
     20.2775000              0.2618590
     10.6314000              0.0497270
      5.4796100              0.0264760
      2.7083200              0.0059780
      1.3188500             -0.0000730
      0.6001000             -0.0000110
      0.1559670             -0.0000100
      0.0744570              0.0000050
Rh    S
213061000.0000000            0.0000070
33108100.0000000             0.0000180
6913440.0000000              0.0000490
1810980.0000000              0.0001130
 562527.0000000              0.0002400
 198074.0000000              0.0004870
  76340.6000000              0.0009810
  31371.2000000              0.0019860
  13490.6000000              0.0041370
   5996.1200000              0.0087900
   2734.3600000              0.0189150
   1274.8500000              0.0387700
    607.1210000              0.0710510
    295.4460000              0.0935170
    146.9910000              0.0345320
     74.7215000             -0.2152480
     38.6938000             -0.5084960
     20.2775000             -0.3143880
     10.6314000              0.4448340
      5.4796100              0.7468470
      2.7083200              0.1836460
      1.3188500              0.0040760
      0.6001000              0.0030130
      0.1559670             -0.0001950
      0.0744570              0.0001740
Rh    S
213061000.0000000           -0.0000030
33108100.0000000            -0.0000070
6913440.0000000             -0.0000200
1810980.0000000             -0.0000450
 562527.0000000             -0.0000970
 198074.0000000             -0.0001970
  76340.6000000             -0.0003960
  31371.2000000             -0.0008020
  13490.6000000             -0.0016680
   5996.1200000             -0.0035450
   2734.3600000             -0.0076080
   1274.8500000             -0.0155920
    607.1210000             -0.0284530
    295.4460000             -0.0376360
    146.9910000             -0.0138950
     74.7215000              0.0904650
     38.6938000              0.2336940
     20.2775000              0.1499740
     10.6314000             -0.2678420
      5.4796100             -0.7601190
      2.7083200             -0.0926090
      1.3188500              0.8262530
      0.6001000              0.5128390
      0.1559670              0.0339050
      0.0744570             -0.0105950
Rh    S
213061000.0000000            0.0000010
33108100.0000000             0.0000020
6913440.0000000              0.0000050
1810980.0000000              0.0000120
 562527.0000000              0.0000250
 198074.0000000              0.0000510
  76340.6000000              0.0001020
  31371.2000000              0.0002080
  13490.6000000              0.0004320
   5996.1200000              0.0009180
   2734.3600000              0.0019690
   1274.8500000              0.0040410
    607.1210000              0.0073700
    295.4460000              0.0097800
    146.9910000              0.0035900
     74.7215000             -0.0236740
     38.6938000             -0.0620100
     20.2775000             -0.0400480
     10.6314000              0.0739010
      5.4796100              0.2301930
      2.7083200              0.0170700
      1.3188500             -0.3280960
      0.6001000             -0.3218680
      0.1559670              0.2411940
      0.0744570              0.6189110
Rh    S
213061000.0000000            0.0000010
33108100.0000000             0.0000040
6913440.0000000              0.0000110
1810980.0000000              0.0000240
 562527.0000000              0.0000520
 198074.0000000              0.0001050
  76340.6000000              0.0002140
  31371.2000000              0.0004220
  13490.6000000              0.0009110
   5996.1200000              0.0018440
   2734.3600000              0.0042110
   1274.8500000              0.0079840
    607.1210000              0.0161860
    295.4460000              0.0178910
    146.9910000              0.0131830
     74.7215000             -0.0626660
     38.6938000             -0.1015000
     20.2775000             -0.1418450
     10.6314000              0.2716340
      5.4796100              0.3220610
      2.7083200              0.3821780
      1.3188500             -1.7098630
      0.6001000              0.5355740
      0.1559670              1.8982110
      0.0744570             -1.0618010
Rh    S
213061000.0000000            0.0000020
33108100.0000000             0.0000050
6913440.0000000              0.0000150
1810980.0000000              0.0000340
 562527.0000000              0.0000730
 198074.0000000              0.0001480
  76340.6000000              0.0002980
  31371.2000000              0.0006000
  13490.6000000              0.0012610
   5996.1200000              0.0026480
   2734.3600000              0.0057740
   1274.8500000              0.0116230
    607.1210000              0.0217940
    295.4460000              0.0277530
    146.9910000              0.0124740
     74.7215000             -0.0746090
     38.6938000             -0.1821660
     20.2775000             -0.1293220
     10.6314000              0.2791770
      5.4796100              0.7646760
      2.7083200              0.1366130
      1.3188500             -3.3264750
      0.6001000              3.5716640
      0.1559670             -1.0829530
      0.0744570             -1.1848310
Rh    S
      3.6466000              1.0000000
Rh    S
      0.9693000              1.0000000
Rh    S
      0.0322560              1.0000000
Rh    S
      0.0140000              1.0000000
Rh    P
1586690.0000000              0.0000160
 267081.0000000              0.0000550
  60148.6000000              0.0002050
  17023.4000000              0.0007190
   5748.1500000              0.0025060
   2219.3800000              0.0084360
    947.0230000              0.0263400
    434.7980000              0.0731120
    210.4080000              0.1687330
    105.6630000              0.2988080
     54.4289000              0.3522800
     28.5070000              0.2139170
     15.0732000              0.0456750
      7.9939600             -0.0055150
      4.2223900             -0.0051750
      2.2020000             -0.0007540
      1.0946600              0.0000190
      0.5241370              0.0000800
      0.2041700             -0.0000010
      0.0842270              0.0000030
Rh    P
1586690.0000000             -0.0000070
 267081.0000000             -0.0000240
  60148.6000000             -0.0000870
  17023.4000000             -0.0003070
   5748.1500000             -0.0010740
   2219.3800000             -0.0036410
    947.0230000             -0.0115130
    434.7980000             -0.0327470
    210.4080000             -0.0786590
    105.6630000             -0.1470790
     54.4289000             -0.1789620
     28.5070000             -0.0282530
     15.0732000              0.2951900
      7.9939600              0.5009450
      4.2223900              0.2883620
      2.2020000              0.0422210
      1.0946600             -0.0001020
      0.5241370             -0.0021210
      0.2041700             -0.0000250
      0.0842270             -0.0000780
Rh    P
1586690.0000000              0.0000030
 267081.0000000              0.0000090
  60148.6000000              0.0000340
  17023.4000000              0.0001210
   5748.1500000              0.0004220
   2219.3800000              0.0014320
    947.0230000              0.0045390
    434.7980000              0.0129400
    210.4080000              0.0312870
    105.6630000              0.0589230
     54.4289000              0.0722720
     28.5070000              0.0031760
     15.0732000             -0.1513070
      7.9939600             -0.2918580
      4.2223900             -0.1385420
      2.2020000              0.3418460
      1.0946600              0.5397560
      0.5241370              0.2966600
      0.2041700              0.0408550
      0.0842270             -0.0027560
Rh    P
1586690.0000000             -0.0000010
 267081.0000000             -0.0000020
  60148.6000000             -0.0000090
  17023.4000000             -0.0000320
   5748.1500000             -0.0001110
   2219.3800000             -0.0003750
    947.0230000             -0.0011920
    434.7980000             -0.0033900
    210.4080000             -0.0082320
    105.6630000             -0.0154520
     54.4289000             -0.0191290
     28.5070000             -0.0003080
     15.0732000              0.0406730
      7.9939600              0.0815780
      4.2223900              0.0348050
      2.2020000             -0.1120900
      1.0946600             -0.2104010
      0.5241370             -0.0819680
      0.2041700              0.3056700
      0.0842270              0.5729850
Rh    P
1586690.0000000             -0.0000010
 267081.0000000             -0.0000040
  60148.6000000             -0.0000170
  17023.4000000             -0.0000580
   5748.1500000             -0.0002060
   2219.3800000             -0.0006920
    947.0230000             -0.0022160
    434.7980000             -0.0062500
    210.4080000             -0.0153280
    105.6630000             -0.0284180
     54.4289000             -0.0360050
     28.5070000              0.0007390
     15.0732000              0.0737870
      7.9939600              0.1567930
      4.2223900              0.0600870
      2.2020000             -0.2175560
      1.0946600             -0.4730350
      0.5241370              0.1035350
      0.2041700              0.7017780
      0.0842270              0.3464260
Rh    P
1586690.0000000             -0.0000020
 267081.0000000             -0.0000070
  60148.6000000             -0.0000250
  17023.4000000             -0.0000880
   5748.1500000             -0.0003100
   2219.3800000             -0.0010360
    947.0230000             -0.0033490
    434.7980000             -0.0093580
    210.4080000             -0.0232300
    105.6630000             -0.0424770
     54.4289000             -0.0555120
     28.5070000              0.0040330
     15.0732000              0.1140780
      7.9939600              0.2471390
      4.2223900              0.1068440
      2.2020000             -0.5122660
      1.0946600             -0.8892670
      0.5241370              1.4465490
      0.2041700              0.2479960
      0.0842270             -0.9632110
Rh    P
      3.8728000              1.0000000
Rh    P
      1.0751000              1.0000000
Rh    P
      0.0337970              1.0000000
Rh    P
      0.0136000              1.0000000
Rh    D
   2792.9700000              0.0001480
    802.4110000              0.0012730
    296.3820000              0.0077100
    127.7060000              0.0316940
     60.1914000              0.0960960
     29.8287000              0.2138980
     15.1894000              0.3292350
      7.8338600              0.3391930
      4.0347000              0.1871580
      2.0068000              0.0403970
      0.9589780              0.0022420
      0.4378690              0.0005540
      0.1884020              0.0000850
Rh    D
   2792.9700000             -0.0000440
    802.4110000             -0.0003830
    296.3820000             -0.0023210
    127.7060000             -0.0096160
     60.1914000             -0.0294330
     29.8287000             -0.0662430
     15.1894000             -0.0985040
      7.8338600             -0.0913240
      4.0347000              0.0328620
      2.0068000              0.2523970
      0.9589780              0.3790570
      0.4378690              0.3402040
      0.1884020              0.1979080
Rh    D
   2792.9700000              0.0000450
    802.4110000              0.0003860
    296.3820000              0.0023570
    127.7060000              0.0097350
     60.1914000              0.0300490
     29.8287000              0.0675750
     15.1894000              0.0991900
      7.8338600              0.0820690
      4.0347000             -0.0522600
      2.0068000             -0.3346050
      0.9589780             -0.3769710
      0.4378690              0.1428500
      0.1884020              0.5594820
Rh    D
   2792.9700000             -0.0000660
    802.4110000             -0.0005640
    296.3820000             -0.0034690
    127.7060000             -0.0142960
     60.1914000             -0.0446570
     29.8287000             -0.1006180
     15.1894000             -0.1407410
      7.8338600             -0.0900030
      4.0347000              0.1367850
      2.0068000              0.6761930
      0.9589780             -0.0619930
      0.4378690             -0.9061800
      0.1884020              0.1541380
Rh    D
      2.3801000              1.0000000
Rh    D
      1.1832000              1.0000000
Rh    D
      0.0739060              1.0000000
Rh    D
      0.0290000              1.0000000
Rh    F
      2.7443000              1.0000000
Rh    F
      1.2406000              1.0000000
Rh    F
      0.5080000              1.0000000
Rh    F
      0.2080000              1.0000000
Rh    G
      2.5565000              1.0000000
Rh    G
      1.1557000              1.0000000
Rh    G
      0.5224000              1.0000000
end
basis "Pd_aug-cc-pwcvtz-dk" 
#basis SET: (179s,124p,56d,4f,3g) -> [11s,10p,8d,4f,3g]
Pd    S
231969000.0000000            0.0000380
35874000.0000000             0.0001010
7478510.0000000              0.0002770
1959210.0000000              0.0006270
 609102.0000000              0.0013270
 214666.0000000              0.0026660
  82772.4000000              0.0052950
  34005.0000000              0.0105500
  14607.5000000              0.0213990
   6480.7700000              0.0438700
   2948.3800000              0.0881890
   1370.9700000              0.1612280
    651.1640000              0.2336970
    316.1400000              0.2112000
    157.0170000              0.0981310
     79.7486000              0.1177200
     41.3024000              0.1899080
     21.6692000              0.0967030
     11.3839000              0.0244730
      5.8823900              0.0181770
      2.9146900              0.0045120
      1.4182000             -0.0000340
      0.6431560              0.0000380
      0.1621260             -0.0000120
      0.0757470              0.0000080
Pd    S
231969000.0000000           -0.0000310
35874000.0000000            -0.0000840
7478510.0000000             -0.0002290
1959210.0000000             -0.0005200
 609102.0000000             -0.0011030
 214666.0000000             -0.0022200
  82772.4000000             -0.0044240
  34005.0000000             -0.0088620
  14607.5000000             -0.0181430
   6480.7700000             -0.0377710
   2948.3800000             -0.0782330
   1370.9700000             -0.1515500
    651.1640000             -0.2484170
    316.1400000             -0.2821950
    157.0170000             -0.1138920
     79.7486000              0.2668050
     41.3024000              0.4972710
     21.6692000              0.2581180
     11.3839000              0.0500270
      5.8823900              0.0264220
      2.9146900              0.0060790
      1.4182000             -0.0000090
      0.6431560              0.0000170
      0.1621260             -0.0000070
      0.0757470              0.0000040
Pd    S
231969000.0000000            0.0000070
35874000.0000000             0.0000190
7478510.0000000              0.0000510
1959210.0000000              0.0001150
 609102.0000000              0.0002450
 214666.0000000              0.0004940
  82772.4000000              0.0009900
  34005.0000000              0.0019940
  14607.5000000              0.0041330
   6480.7700000              0.0087440
   2948.3800000              0.0187720
   1370.9700000              0.0385280
    651.1640000              0.0709410
    316.1400000              0.0945880
    157.0170000              0.0379940
     79.7486000             -0.2101840
     41.3024000             -0.5097240
     21.6692000             -0.3292160
     11.3839000              0.4337730
      5.8823900              0.7551420
      2.9146900              0.1893900
      1.4182000              0.0046220
      0.6431560              0.0031330
      0.1621260             -0.0001840
      0.0757470              0.0001700
Pd    S
231969000.0000000           -0.0000030
35874000.0000000            -0.0000080
7478510.0000000             -0.0000210
1959210.0000000             -0.0000470
 609102.0000000             -0.0001000
 214666.0000000             -0.0002010
  82772.4000000             -0.0004030
  34005.0000000             -0.0008110
  14607.5000000             -0.0016800
   6480.7700000             -0.0035550
   2948.3800000             -0.0076130
   1370.9700000             -0.0156200
    651.1640000             -0.0286400
    316.1400000             -0.0383650
    157.0170000             -0.0154230
     79.7486000              0.0890860
     41.3024000              0.2364510
     21.6692000              0.1594410
     11.3839000             -0.2656280
      5.8823900             -0.7776520
      2.9146900             -0.0921080
      1.4182000              0.8341870
      0.6431560              0.5096530
      0.1621260              0.0323300
      0.0757470             -0.0101750
Pd    S
231969000.0000000            0.0000010
35874000.0000000             0.0000020
7478510.0000000              0.0000050
1959210.0000000              0.0000120
 609102.0000000              0.0000250
 214666.0000000              0.0000510
  82772.4000000              0.0001020
  34005.0000000              0.0002060
  14607.5000000              0.0004260
   6480.7700000              0.0009030
   2948.3800000              0.0019330
   1370.9700000              0.0039720
    651.1640000              0.0072770
    316.1400000              0.0097830
    157.0170000              0.0039080
     79.7486000             -0.0228670
     41.3024000             -0.0615870
     21.6692000             -0.0417860
     11.3839000              0.0719530
      5.8823900              0.2314620
      2.9146900              0.0153060
      1.4182000             -0.3249280
      0.6431560             -0.3116880
      0.1621260              0.2542590
      0.0757470              0.6130390
Pd    S
231969000.0000000            0.0000010
35874000.0000000             0.0000040
7478510.0000000              0.0000110
1959210.0000000              0.0000240
 609102.0000000              0.0000510
 214666.0000000              0.0001030
  82772.4000000              0.0002090
  34005.0000000              0.0004110
  14607.5000000              0.0008800
   6480.7700000              0.0017780
   2948.3800000              0.0040400
   1370.9700000              0.0076940
    651.1640000              0.0156030
    316.1400000              0.0176250
    157.0170000              0.0133050
     79.7486000             -0.0591740
     41.3024000             -0.0994380
     21.6692000             -0.1403710
     11.3839000              0.2582880
      5.8823900              0.3199000
      2.9146900              0.3668280
      1.4182000             -1.6365500
      0.6431560              0.5083560
      0.1621260              1.7709410
      0.0757470             -0.8830610
Pd    S
231969000.0000000            0.0000020
35874000.0000000             0.0000060
7478510.0000000              0.0000160
1959210.0000000              0.0000350
 609102.0000000              0.0000750
 214666.0000000              0.0001510
  82772.4000000              0.0003030
  34005.0000000              0.0006090
  14607.5000000              0.0012660
   6480.7700000              0.0026640
   2948.3800000              0.0057520
   1370.9700000              0.0117020
    651.1640000              0.0217740
    316.1400000              0.0286790
    157.0170000              0.0126960
     79.7486000             -0.0711980
     41.3024000             -0.1893120
     21.6692000             -0.1263150
     11.3839000              0.2556980
      5.8823900              0.8089060
      2.9146900              0.1081360
      1.4182000             -3.2497450
      0.6431560              3.3999180
      0.1621260             -0.8439920
      0.0757470             -1.3578290
Pd    S
      3.9787000              1.0000000
Pd    S
      1.0676000              1.0000000
Pd    S
      0.0328330              1.0000000
Pd    S
      0.0142000              1.0000000
Pd    P
1789180.0000000              0.0000160
 299329.0000000              0.0000550
  66902.0000000              0.0002010
  18783.6000000              0.0007020
   6293.7500000              0.0024310
   2413.2000000              0.0081640
   1023.6400000              0.0255500
    467.7130000              0.0713070
    225.4890000              0.1658860
    112.9220000              0.2965360
     58.0528000              0.3536860
     30.3656000              0.2181360
     16.0450000              0.0479290
      8.5088900             -0.0047840
      4.4978300             -0.0047910
      2.3502500             -0.0006970
      1.1661100              0.0000100
      0.5548970              0.0000700
      0.2085100             -0.0000020
      0.0843150              0.0000030
Pd    P
1789180.0000000             -0.0000070
 299329.0000000             -0.0000240
  66902.0000000             -0.0000870
  18783.6000000             -0.0003030
   6293.7500000             -0.0010540
   2413.2000000             -0.0035630
   1023.6400000             -0.0112890
    467.7130000             -0.0322750
    225.4890000             -0.0781140
    112.9220000             -0.1474240
     58.0528000             -0.1817680
     30.3656000             -0.0333360
     16.0450000              0.2940170
      8.5088900              0.5046260
      4.4978300              0.2878520
      2.3502500              0.0416890
      1.1661100              0.0001300
      0.5548970             -0.0019180
      0.2085100              0.0000030
      0.0843150             -0.0000710
Pd    P
1789180.0000000              0.0000030
 299329.0000000              0.0000090
  66902.0000000              0.0000340
  18783.6000000              0.0001200
   6293.7500000              0.0004190
   2413.2000000              0.0014180
   1023.6400000              0.0045040
    467.7130000              0.0129120
    225.4890000              0.0314570
    112.9220000              0.0598250
     58.0528000              0.0743730
     30.3656000              0.0052590
     16.0450000             -0.1540920
      8.5088900             -0.3005170
      4.4978300             -0.1366150
      2.3502500              0.3543360
      1.1661100              0.5418340
      0.5548970              0.2883550
      0.2085100              0.0365610
      0.0843150             -0.0031140
Pd    P
1789180.0000000             -0.0000010
 299329.0000000             -0.0000020
  66902.0000000             -0.0000080
  18783.6000000             -0.0000290
   6293.7500000             -0.0001010
   2413.2000000             -0.0003430
   1023.6400000             -0.0010910
    467.7130000             -0.0031190
    225.4890000             -0.0076350
    112.9220000             -0.0144670
     58.0528000             -0.0181630
     30.3656000             -0.0007540
     16.0450000              0.0381890
      8.5088900              0.0778260
      4.4978300              0.0306690
      2.3502500             -0.1073350
      1.1661100             -0.1913910
      0.5548970             -0.0731510
      0.2085100              0.2904240
      0.0843150              0.5689310
Pd    P
1789180.0000000             -0.0000010
 299329.0000000             -0.0000050
  66902.0000000             -0.0000170
  18783.6000000             -0.0000610
   6293.7500000             -0.0002120
   2413.2000000             -0.0007110
   1023.6400000             -0.0022860
    467.7130000             -0.0064660
    225.4890000             -0.0160240
    112.9220000             -0.0298970
     58.0528000             -0.0386350
     30.3656000              0.0001520
     16.0450000              0.0777120
      8.5088900              0.1689660
      4.4978300              0.0607940
      2.3502500             -0.2409540
      1.1661100             -0.5057780
      0.5548970              0.1936520
      0.2085100              0.7150110
      0.0843150              0.2874470
Pd    P
1789180.0000000             -0.0000020
 299329.0000000             -0.0000070
  66902.0000000             -0.0000250
  18783.6000000             -0.0000880
   6293.7500000             -0.0003100
   2413.2000000             -0.0010370
   1023.6400000             -0.0033390
    467.7130000             -0.0094370
    225.4890000             -0.0234360
    112.9220000             -0.0436950
     58.0528000             -0.0570030
     30.3656000              0.0013980
     16.0450000              0.1211760
      8.5088900              0.2485120
      4.4978300              0.1276570
      2.3502500             -0.5961590
      1.1661100             -0.8149230
      0.5548970              1.5239800
      0.2085100              0.0450920
      0.0843150             -0.8914620
Pd    P
      4.2754000              1.0000000
Pd    P
      1.1644000              1.0000000
Pd    P
      0.0331870              1.0000000
Pd    P
      0.0131000              1.0000000
Pd    D
   2997.7400000              0.0001490
    844.3660000              0.0013050
    311.0270000              0.0078450
    134.3580000              0.0320110
     63.4728000              0.0970150
     31.4809000              0.2161310
     16.0390000              0.3321270
      8.2870200              0.3383070
      4.2820600              0.1815710
      2.1441800              0.0380030
      1.0309300              0.0022880
      0.4734790              0.0005860
      0.2050020              0.0001450
Pd    D
   2997.7400000             -0.0000460
    844.3660000             -0.0004060
    311.0270000             -0.0024450
    134.3580000             -0.0100510
     63.4728000             -0.0307790
     31.4809000             -0.0692950
     16.0390000             -0.1029380
      8.2870200             -0.0931070
      4.2820600              0.0412880
      2.1441800              0.2637390
      1.0309300              0.3806010
      0.4734790              0.3321510
      0.2050020              0.1880590
Pd    D
   2997.7400000              0.0000480
    844.3660000              0.0004230
    311.0270000              0.0025630
    134.3580000              0.0105060
     63.4728000              0.0324630
     31.4809000              0.0730710
     16.0390000              0.1066220
      8.2870200              0.0845210
      4.2820600             -0.0679160
      2.1441800             -0.3669810
      1.0309300             -0.3563970
      0.4734790              0.1955400
      0.2050020              0.5516610
Pd    D
   2997.7400000             -0.0000680
    844.3660000             -0.0005980
    311.0270000             -0.0036080
    134.3580000             -0.0149140
     63.4728000             -0.0461640
     31.4809000             -0.1056720
     16.0390000             -0.1426130
      8.2870200             -0.0885790
      4.2820600              0.1635420
      2.1441800              0.6958060
      1.0309300             -0.1681640
      0.4734790             -0.8831910
      0.2050020              0.2342950
Pd    D
      2.6155000              1.0000000
Pd    D
      1.3080000              1.0000000
Pd    D
      0.0809930              1.0000000
Pd    D
      0.0320000              1.0000000
Pd    F
      3.0198000              1.0000000
Pd    F
      1.3920000              1.0000000
Pd    F
      0.5809000              1.0000000
Pd    F
      0.2424000              1.0000000
Pd    G
      2.8084000              1.0000000
Pd    G
      1.3187000              1.0000000
Pd    G
      0.6192000              1.0000000
end
