# BSE Version v0.8.6
# Data downloaded at 2019-10-24T11:58
# aug-cc-pwcv5z-dk version number 0
# Description: V5ZPD   All-electron Douglas-Kroll Core-Valence Quintuple 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-pwCV5Z-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-pV5Z-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
# 
# # 
basis "Sc_aug-cc-pwcv5z-dk" 
#basis SET: (220s,137p,59d,6f,5g,4h,3i) -> [12s,11p,9d,6f,5g,4h,3i]
Sc    S
      1.19495E+08            5.919535E-06
      2.14992E+07            1.431359E-05
      4.80703E+06            4.104556E-05
      1.28440E+06            9.797419E-05
 396595.0000000              0.0002223775
 137575.0000000              0.0004796213
  52366.8000000              0.001020521
  21454.9000000              0.002175114
   9316.0600000              0.004713698
   4235.4000000              0.01036927
   1997.4400000              0.02281143
    970.4300000              0.04868009
    483.2710000              0.09694442
    245.8060000              0.1706005
    127.3600000              0.2430080
     67.0788000              0.2384914
     35.8371000              0.1288846
     19.3713000              0.05207441
     10.5571000              0.08763543
      5.7724900              0.1099903
      3.1454000              0.05080978
      1.6924900              0.006520852
      0.8886490              0.0003956125
      0.4710930             -6.181459E-05
      0.2492860              1.254106E-05
      0.0999880             -4.361028E-06
      0.0463690              1.0567E-05
Sc    S
      1.19495E+08           -3.393072E-06
      2.14992E+07           -8.205121E-06
      4.80703E+06           -2.353144E-05
      1.28440E+06           -5.618118E-05
 396595.0000000             -0.0001275595
 137575.0000000             -0.0002752891
  52366.8000000             -0.0005862466
  21454.9000000             -0.001251553
   9316.0600000             -0.002718589
   4235.4000000             -0.006008769
   1997.4400000             -0.01332407
    970.4300000             -0.02890036
    483.2710000             -0.05930942
    245.8060000             -0.1107930
    127.3600000             -0.1770984
     67.0788000             -0.2162084
     35.8371000             -0.1469435
     19.3713000              0.0639645
     10.5571000              0.3580420
      5.7724900              0.4634064
      3.1454000              0.2146780
      1.6924900              0.02748374
      0.8886490              0.0005229658
      0.4710930             -0.0009373147
      0.2492860             -0.0001398211
      0.0999880             -1.123025E-05
      0.0463690              3.671184E-05
Sc    S
      1.19495E+08            6.682412E-07
      2.14992E+07            1.616043E-06
      4.80703E+06            4.635062E-06
      1.28440E+06            1.106844E-05
 396595.0000000              2.513795E-05
 137575.0000000              5.42814E-05
  52366.8000000              0.0001156787
  21454.9000000              0.0002473236
   9316.0600000              0.0005382997
   4235.4000000              0.001194793
   1997.4400000              0.002667407
    970.4300000              0.005866852
    483.2710000              0.01233989
    245.8060000              0.02414443
    127.3600000              0.04178974
     67.0788000              0.05780505
     35.8371000              0.04408753
     19.3713000             -0.03163457
     10.5571000             -0.1852648
      5.7724900             -0.3507145
      3.1454000             -0.2250703
      1.6924900              0.2361473
      0.8886490              0.5771120
      0.4710930              0.3995942
      0.2492860              0.08198503
      0.0999880              0.003786216
      0.0463690              0.00181512
Sc    S
      1.19495E+08           -1.614274E-07
      2.14992E+07           -3.903897E-07
      4.80703E+06           -1.119695E-06
      1.28440E+06           -2.673836E-06
 396595.0000000             -6.072575E-06
 137575.0000000             -1.311331E-05
  52366.8000000             -2.794401E-05
  21454.9000000             -5.975343E-05
   9316.0600000             -0.0001300308
   4235.4000000             -0.0002887116
   1997.4400000             -0.0006443642
    970.4300000             -0.001418217
    483.2710000             -0.002982216
    245.8060000             -0.005843726
    127.3600000             -0.01011922
     67.0788000             -0.01406049
     35.8371000             -0.01073321
     19.3713000              0.007697945
     10.5571000              0.04671812
      5.7724900              0.09236543
      3.1454000              0.0606934
      1.6924900             -0.07517223
      0.8886490             -0.1934620
      0.4710930             -0.2389696
      0.2492860             -0.1062082
      0.0999880              0.3515695
      0.0463690              0.6241271
Sc    S
      1.19495E+08            2.812987E-07
      2.14992E+07            6.804514E-07
      4.80703E+06            1.950692E-06
      1.28440E+06            4.662709E-06
 396595.0000000              1.056941E-05
 137575.0000000              2.290727E-05
  52366.8000000              4.849852E-05
  21454.9000000              0.0001048147
   9316.0600000              0.000224504
   4235.4000000              0.0005093451
   1997.4400000              0.001106294
    970.4300000              0.002516249
    483.2710000              0.005091015
    245.8060000              0.01045914
    127.3600000              0.0170637
     67.0788000              0.02597877
     35.8371000              0.01587703
     19.3713000             -0.007290353
     10.5571000             -0.09570927
      5.7724900             -0.1484969
      3.1454000             -0.1520052
      1.6924900              0.2384846
      0.8886490              0.3501435
      0.4710930              0.7548168
      0.2492860             -0.8094605
      0.0999880             -1.4805040
      0.0463690              0.7689142
Sc    S
      1.19495E+08           -4.312322E-07
      2.14992E+07           -1.043095E-06
      4.80703E+06           -2.990538E-06
      1.28440E+06           -7.147204E-06
 396595.0000000             -1.620618E-05
 137575.0000000             -3.510428E-05
  52366.8000000             -7.439904E-05
  21454.9000000             -0.0001605264
   9316.0600000             -0.00034471
   4235.4000000             -0.0007794742
   1997.4400000             -0.001700679
    970.4300000             -0.003848994
    483.2710000             -0.007841304
    245.8060000             -0.01600342
    127.3600000             -0.02642693
     67.0788000             -0.0397741
     35.8371000             -0.02549301
     19.3713000              0.0129649
     10.5571000              0.1497257
      5.7724900              0.2670537
      3.1454000              0.2379641
      1.6924900             -0.5490284
      0.8886490             -1.0568440
      0.4710930             -0.1164882
      0.2492860              2.7444610
      0.0999880             -1.4562880
      0.0463690             -1.5228980
Sc    S
      1.19495E+08           -4.876401E-07
      2.14992E+07           -1.177921E-06
      4.80703E+06           -3.38614E-06
      1.28440E+06           -8.050139E-06
 396595.0000000             -1.844652E-05
 137575.0000000             -3.916005E-05
  52366.8000000             -8.601642E-05
  21454.9000000             -0.0001749806
   9316.0600000             -0.0004098121
   4235.4000000             -0.000822644
   1997.4400000             -0.002082943
    970.4300000             -0.003935527
    483.2710000             -0.009907611
    245.8060000             -0.01561908
    127.3600000             -0.03578066
     67.0788000             -0.0322496
     35.8371000             -0.05745036
     19.3713000              0.06918013
     10.5571000              0.06434433
      5.7724900              0.5933674
      3.1454000             -0.1545044
      1.6924900             -0.3050918
      0.8886490             -2.9817180
      0.4710930              4.9770390
      0.2492860             -1.0825320
      0.0999880             -4.2115770
      0.0463690              5.6433950
Sc    S
      1.19495E+08            7.519349E-07
      2.14992E+07            1.820755E-06
      4.80703E+06            5.209344E-06
      1.28440E+06            1.250064E-05
 396595.0000000              2.812046E-05
 137575.0000000              6.183087E-05
  52366.8000000              0.0001276431
  21454.9000000              0.0002872
   9316.0600000              0.0005798599
   4235.4000000              0.001423352
   1997.4400000              0.002800518
    970.4300000              0.007178441
    483.2710000              0.01264813
    245.8060000              0.03086293
    127.3600000              0.04074745
     67.0788000              0.08547422
     35.8371000              0.01756683
     19.3713000              0.03153591
     10.5571000             -0.4357717
      5.7724900             -0.5492452
      3.1454000             -0.4585412
      1.6924900              4.1915080
      0.8886490             -2.5292380
      0.4710930             -5.4200720
      0.2492860              9.3856740
      0.0999880             -8.5529250
      0.0463690              6.2316380
Sc    S
      4.3955000              1.0000000
Sc    S
      1.1564000              1.0000000
Sc    S
      0.0216060              1.0000000
Sc    S
      0.0100700              1.0000000
Sc    P
  55070.5000000              0.0000140
  13741.7000000              0.0000480
   4365.4000000              0.0002020
   1642.2600000              0.0007550
    694.0660000              0.0026780
    317.7420000              0.0085560
    153.8990000              0.0245140
     77.7665000              0.0617000
     40.6736000              0.1309760
     21.9061000              0.2216990
     12.0795000              0.2929820
      6.7534900              0.2755820
      3.7632100              0.1467940
      2.0497300              0.0316730
      1.0864500              0.0001230
      0.5640870             -0.0016080
      0.2810200             -0.0008200
      0.1214320             -0.0000640
      0.0533450             -0.0000110
Sc    P
  55070.5000000             -0.0000050
  13741.7000000             -0.0000160
   4365.4000000             -0.0000660
   1642.2600000             -0.0002480
    694.0660000             -0.0008820
    317.7420000             -0.0028300
    153.8990000             -0.0081890
     77.7665000             -0.0209720
     40.6736000             -0.0457600
     21.9061000             -0.0797890
     12.0795000             -0.1104030
      6.7534900             -0.1073290
      3.7632100              0.0005330
      2.0497300              0.2185950
      1.0864500              0.3923630
      0.5640870              0.3629300
      0.2810200              0.1490230
      0.1214320              0.0150900
      0.0533450              0.0005720
Sc    P
  55070.5000000             -0.0000010
  13741.7000000             -0.0000040
   4365.4000000             -0.0000160
   1642.2600000             -0.0000600
    694.0660000             -0.0002160
    317.7420000             -0.0006880
    153.8990000             -0.0020050
     77.7665000             -0.0051070
     40.6736000             -0.0112560
     21.9061000             -0.0194870
     12.0795000             -0.0275520
      6.7534900             -0.0261990
      3.7632100              0.0018280
      2.0497300              0.0650400
      1.0864500              0.1153720
      0.5640870              0.1375210
      0.2810200             -0.0077520
      0.1214320             -0.3617510
      0.0533450             -0.5419820
Sc    P
  55070.5000000              0.0000010
  13741.7000000              0.0000050
   4365.4000000              0.0000200
   1642.2600000              0.0000740
    694.0660000              0.0002620
    317.7420000              0.0008430
    153.8990000              0.0024310
     77.7665000              0.0062550
     40.6736000              0.0136160
     21.9061000              0.0239330
     12.0795000              0.0330500
      6.7534900              0.0328270
      3.7632100             -0.0025620
      2.0497300             -0.0748050
      1.0864500             -0.1376450
      0.5640870             -0.1704280
      0.2810200             -0.0478640
      0.1214320              0.5835210
      0.0533450              0.5151680
Sc    P
  55070.5000000              0.0000030
  13741.7000000              0.0000090
   4365.4000000              0.0000410
   1642.2600000              0.0001420
    694.0660000              0.0005460
    317.7420000              0.0016140
    153.8990000              0.0050860
     77.7665000              0.0118990
     40.6736000              0.0287890
     21.9061000              0.0441380
     12.0795000              0.0761020
      6.7534900              0.0560570
      3.7632100              0.0243250
      2.0497300             -0.2171150
      1.0864500             -0.3703350
      0.5640870             -0.4435200
      0.2810200              1.2379380
      0.1214320              0.4129960
      0.0533450             -0.9400080
Sc    P
  55070.5000000             -0.0000030
  13741.7000000             -0.0000120
   4365.4000000             -0.0000410
   1642.2600000             -0.0002080
    694.0660000             -0.0005200
    317.7420000             -0.0024110
    153.8990000             -0.0047120
     77.7665000             -0.0181750
     40.6736000             -0.0243790
     21.9061000             -0.0766640
     12.0795000             -0.0436370
      6.7534900             -0.1925250
      3.7632100              0.1326390
      2.0497300              0.1135500
      1.0864500              1.3669040
      0.5640870             -1.5617250
      0.2810200             -0.8936100
      0.1214320              2.2910790
      0.0533450             -1.2338460
Sc    P
  55070.5000000             -0.0000050
  13741.7000000             -0.0000160
   4365.4000000             -0.0000700
   1642.2600000             -0.0002610
    694.0660000             -0.0009290
    317.7420000             -0.0029870
    153.8990000             -0.0086890
     77.7665000             -0.0225240
     40.6736000             -0.0494670
     21.9061000             -0.0860160
     12.0795000             -0.1162080
      6.7534900             -0.1761440
      3.7632100              0.0102780
      2.0497300              1.2619260
      1.0864500              0.2599850
      0.5640870             -3.7739520
      0.2810200              4.5043640
      0.1214320             -2.6297080
      0.0533450              0.5247230
Sc    P
      5.1300000              1.0000000
Sc    P
      1.2315000              1.0000000
Sc    P
      0.0231430              1.0000000
Sc    P
      0.0100400              1.0000000
Sc    D
    206.8490000              0.0002450
     60.9977000              0.0021780
     23.3085000              0.0108150
      9.9288100              0.0355520
      4.4867000              0.0918530
      2.1263200              0.1773870
      1.0200800              0.2535140
      0.4853730              0.2911880
      0.2271980              0.2739590
      0.1042040              0.1939380
      0.0468350              0.0750160
Sc    D
    206.8490000             -0.0002520
     60.9977000             -0.0022360
     23.3085000             -0.0111280
      9.9288100             -0.0368300
      4.4867000             -0.0965200
      2.1263200             -0.1818110
      1.0200800             -0.2453530
      0.4853730             -0.2113190
      0.2271980              0.0933260
      0.1042040              0.4634600
      0.0468350              0.3871780
Sc    D
    206.8490000             -0.0003270
     60.9977000             -0.0028490
     23.3085000             -0.0145650
      9.9288100             -0.0472320
      4.4867000             -0.1264930
      2.1263200             -0.2349220
      1.0200800             -0.2844630
      0.4853730              0.0738220
      0.2271980              0.7433150
      0.1042040              0.1237380
      0.0468350             -0.6748410
Sc    D
    206.8490000             -0.0004720
     60.9977000             -0.0038040
     23.3085000             -0.0209510
      9.9288100             -0.0644210
      4.4867000             -0.1927550
      2.1263200             -0.3074170
      1.0200800             -0.2835280
      0.4853730              1.0750720
      0.2271980              0.0383790
      0.1042040             -1.2564750
      0.0468350              0.7662620
Sc    D
    206.8490000             -0.0005390
     60.9977000             -0.0068390
     23.3085000             -0.0259800
      9.9288100             -0.1209740
      4.4867000             -0.2394840
      2.1263200             -0.6282700
      1.0200800              0.9521130
      0.4853730              0.6713530
      0.2271980             -2.1441440
      0.1042040              1.9275440
      0.0468350             -0.6275630
Sc    D
      2.6491000              1.0000000
Sc    D
      1.4102000              1.0000000
Sc    D
      0.0202590              1.0000000
Sc    D
      0.0087600              1.0000000
Sc    F
      3.5989000              1.0000000
Sc    F
      1.5145000              1.0000000
Sc    F
      0.6373000              1.0000000
Sc    F
      0.2682000              1.0000000
Sc    F
      0.0809000              1.0000000
Sc    F
      0.0244000              1.0000000
Sc    G
      3.1618000              1.0000000
Sc    G
      1.3736000              1.0000000
Sc    G
      0.5968000              1.0000000
Sc    G
      0.1711000              1.0000000
Sc    G
      0.0490500              1.0000000
Sc    H
      2.9441000              1.0000000
Sc    H
      1.1635000              1.0000000
Sc    H
      0.3290000              1.0000000
Sc    H
      0.0930300              1.0000000
Sc    I
      3.1150000              1.0000000
Sc    I
      1.1682000              1.0000000
Sc    I
      0.4381000              1.0000000
end
basis "Ti_aug-cc-pwcv5z-dk" 
#basis SET: (220s,137p,59d,6f,5g,4h,3i) -> [12s,11p,9d,6f,5g,4h,3i]
Ti    S
      1.22647E+08            6.653555E-06
      2.19562E+07            1.613946E-05
      4.90233E+06            4.614898E-05
      1.31060E+06            0.0001098321
 405228.0000000              0.0002484956
 140757.0000000              0.0005342847
  53625.1000000              0.001133562
  21976.2000000              0.0024093
   9539.6000000              0.005206248
   4334.3700000              0.01141582
   2042.8900000              0.02500563
    992.3080000              0.05299834
    494.4460000              0.1043003
    251.9070000              0.1799215
    130.9050000              0.2478886
     69.2368000              0.2308955
     37.1847000              0.1171295
     20.2157000              0.05130277
     11.0765000              0.09090767
      6.0786700              0.1038986
      3.3127700              0.04277212
      1.7725000              0.004698514
      0.9173780              0.0002635682
      0.4692830             -6.454181E-05
      0.2192670              1.082874E-05
      0.1058110              8.421612E-08
      0.0484430              1.563308E-05
Ti    S
      1.22647E+08           -3.777645E-06
      2.19562E+07           -9.164102E-06
      4.90233E+06           -2.620684E-05
      1.31060E+06           -6.238605E-05
 405228.0000000             -0.0001412011
 140757.0000000             -0.0003037954
  53625.1000000             -0.0006451652
  21976.2000000             -0.001373651
   9539.6000000             -0.002976146
   4334.3700000             -0.006559216
   2042.8900000             -0.01449461
    992.3080000             -0.03126791
    494.4460000             -0.06359677
    251.9070000             -0.1170675
    130.9050000             -0.1828196
     69.2368000             -0.2142700
     37.1847000             -0.1312221
     20.2157000              0.09218944
     11.0765000              0.3859538
      6.0786700              0.4515632
      3.3127700              0.1862977
      1.7725000              0.02023129
      0.9173780             -6.633534E-05
      0.4692830             -0.0008927498
      0.2192670             -6.197787E-05
      0.1058110              1.790704E-05
      0.0484430              5.846808E-05
Ti    S
      1.22647E+08            7.674459E-07
      2.19562E+07            1.861863E-06
      4.90233E+06            5.324913E-06
      1.31060E+06            1.2679E-05
 405228.0000000              2.870495E-05
 140757.0000000              6.179898E-05
  53625.1000000              0.0001313324
  21976.2000000              0.000280105
   9539.6000000              0.0006080523
   4334.3700000              0.001346488
   2042.8900000              0.002996038
    992.3080000              0.006562148
    494.4460000              0.01369205
    251.9070000              0.02648196
    130.9050000              0.0448890
     69.2368000              0.05976643
     37.1847000              0.04031555
     20.2157000             -0.0441235
     11.0765000             -0.2114728
      6.0786700             -0.3640708
      3.3127700             -0.1847230
      1.7725000              0.3081164
      0.9173780              0.6066013
      0.4692830              0.3468082
      0.2192670              0.04058903
      0.1058110             -0.000391043
      0.0484430              0.002501968
Ti    S
      1.22647E+08           -1.819398E-07
      2.19562E+07           -4.41398E-07
      4.90233E+06           -1.262383E-06
      1.31060E+06           -3.005895E-06
 405228.0000000             -6.805029E-06
 140757.0000000             -1.465182E-05
  53625.1000000             -3.113348E-05
  21976.2000000             -6.641746E-05
   9539.6000000             -0.0001441365
   4334.3700000             -0.000319341
   2042.8900000             -0.0007102401
    992.3080000             -0.001557001
    494.4460000             -0.003247483
    251.9070000             -0.006292418
    130.9050000             -0.01067067
     69.2368000             -0.01428281
     37.1847000             -0.009632094
     20.2157000              0.0105720
     11.0765000              0.05267722
      6.0786700              0.09469896
      3.3127700              0.04838713
      1.7725000             -0.09536682
      0.9173780             -0.2116255
      0.4692830             -0.2381936
      0.2192670             -0.05246589
      0.1058110              0.3869866
      0.0484430              0.6037621
Ti    S
      1.22647E+08            3.399465E-07
      2.19562E+07            8.247278E-07
      4.90233E+06            2.358728E-06
      1.31060E+06            5.616301E-06
 405228.0000000              1.271542E-05
 140757.0000000              2.737492E-05
  53625.1000000              5.817942E-05
  21976.2000000              0.0001240819
   9539.6000000              0.0002693998
   4334.3700000              0.000596555
   2042.8900000              0.001327899
    992.3080000              0.00290901
    494.4460000              0.006076074
    251.9070000              0.01176603
    130.9050000              0.02001317
     69.2368000              0.02677974
     37.1847000              0.01826065
     20.2157000             -0.02007811
     11.0765000             -0.1014260
      6.0786700             -0.1911626
      3.3127700             -0.09195848
      1.7725000              0.2382647
      0.9173780              0.5877260
      0.4692830              0.3656232
      0.2192670             -0.9952926
      0.1058110             -1.0629930
      0.0484430              0.7767954
Ti    S
      1.22647E+08           -5.165097E-07
      2.19562E+07           -1.252882E-06
      4.90233E+06           -3.58436E-06
      1.31060E+06           -8.529531E-06
 405228.0000000             -1.933437E-05
 140757.0000000             -4.152977E-05
  53625.1000000             -8.86271E-05
  21976.2000000             -0.0001877584
   9539.6000000             -0.0004117762
   4334.3700000             -0.0008995392
   2042.8900000             -0.00203764
    992.3080000             -0.004372593
    494.4460000             -0.009371418
    251.9070000             -0.01761793
    130.9050000             -0.03127669
     69.2368000             -0.0394600
     37.1847000             -0.03164837
     20.2157000              0.03808886
     11.0765000              0.1502097
      6.0786700              0.3568484
      3.3127700              0.09579577
      1.7725000             -0.5931501
      0.9173780             -1.4029870
      0.4692830              1.2948550
      0.2192670              2.1050350
      0.1058110             -2.3454890
      0.0484430             -0.6659030
Ti    S
      1.22647E+08           -6.130654E-07
      2.19562E+07           -1.486934E-06
      4.90233E+06           -4.254847E-06
      1.31060E+06           -1.0121E-05
 405228.0000000             -2.296105E-05
 140757.0000000             -4.924078E-05
  53625.1000000             -0.0001053951
  21976.2000000             -0.0002221924
   9539.6000000             -0.0004909744
   4334.3700000             -0.001061652
   2042.8900000             -0.002437073
    992.3080000             -0.005148493
    494.4460000             -0.01125485
    251.9070000             -0.02070111
    130.9050000             -0.03801176
     69.2368000             -0.0460026
     37.1847000             -0.04154012
     20.2157000              0.0487637
     11.0765000              0.1925955
      6.0786700              0.5435896
      3.3127700             -0.05407633
      1.7725000             -1.3033880
      0.9173780             -1.3684980
      0.4692830              4.8530280
      0.2192670             -3.2762980
      0.1058110             -1.5668410
      0.0484430              4.2040350
Ti    S
      1.22647E+08           -8.549962E-07
      2.19562E+07           -2.079199E-06
      4.90233E+06           -5.919144E-06
      1.31060E+06           -1.422274E-05
 405228.0000000             -3.162293E-05
 140757.0000000             -7.045952E-05
  53625.1000000             -0.0001407958
  21976.2000000             -0.0003314919
   9539.6000000             -0.0006194799
   4334.3700000             -0.001674815
   2042.8900000             -0.002880831
    992.3080000             -0.008576546
    494.4460000             -0.01234665
    251.9070000             -0.03746245
    130.9050000             -0.03433454
     69.2368000             -0.1097497
     37.1847000              0.03447519
     20.2157000             -0.1133770
     11.0765000              0.6927722
      6.0786700              0.3005719
      3.3127700              0.4990677
      1.7725000             -5.4080910
      0.9173780              7.0117810
      0.4692830             -1.6041680
      0.2192670             -5.4763320
      0.1058110              8.3958070
      0.0484430             -6.4227320
Ti    S
      4.2553000              1.0000000
Ti    S
      1.2538000              1.0000000
Ti    S
      0.0225350              1.0000000
Ti    S
      0.0104800              1.0000000
Ti    P
  59284.9000000              0.0000160
  14323.6000000              0.0000550
   4537.2200000              0.0002280
   1726.5400000              0.0008230
    741.0750000              0.0028250
    343.8070000              0.0088340
    167.8840000              0.0251330
     85.0394000              0.0634540
     44.3829000              0.1354900
     23.7928000              0.2297170
     13.0536000              0.3000430
      7.2687200              0.2708810
      4.0380500              0.1339910
      2.1929400              0.0256630
      1.1616200             -0.0004750
      0.6032500             -0.0015650
      0.3001740             -0.0006970
      0.1301310             -0.0000450
      0.0572230             -0.0000100
Ti    P
  59284.9000000             -0.0000050
  14323.6000000             -0.0000180
   4537.2200000             -0.0000760
   1726.5400000             -0.0002760
    741.0750000             -0.0009510
    343.8070000             -0.0029880
    167.8840000             -0.0085890
     85.0394000             -0.0220780
     44.3829000             -0.0485130
     23.7928000             -0.0848740
     13.0536000             -0.1165050
      7.2687200             -0.1060460
      4.0380500              0.0208230
      2.1929400              0.2474250
      1.1616200              0.4015100
      0.6032500              0.3401570
      0.3001740              0.1258060
      0.1301310              0.0112720
      0.0572230              0.0006720
Ti    P
  59284.9000000              0.0000010
  14323.6000000              0.0000040
   4537.2200000              0.0000180
   1726.5400000              0.0000660
    741.0750000              0.0002290
    343.8070000              0.0007140
    167.8840000              0.0020690
     85.0394000              0.0052890
     44.3829000              0.0117380
     23.7928000              0.0203950
     13.0536000              0.0286140
      7.2687200              0.0253940
      4.0380500             -0.0070940
      2.1929400             -0.0720970
      1.1616200             -0.1181340
      0.6032500             -0.1292760
      0.3001740              0.0315740
      0.1301310              0.3785710
      0.0572230              0.5269710
Ti    P
  59284.9000000              0.0000020
  14323.6000000              0.0000060
   4537.2200000              0.0000230
   1726.5400000              0.0000830
    741.0750000              0.0002880
    343.8070000              0.0008990
    167.8840000              0.0026000
     85.0394000              0.0066510
     44.3829000              0.0147430
     23.7928000              0.0256560
     13.0536000              0.0359060
      7.2687200              0.0320880
      4.0380500             -0.0081700
      2.1929400             -0.0887810
      1.1616200             -0.1438960
      0.6032500             -0.1737260
      0.3001740              0.0151180
      0.1301310              0.6060130
      0.0572230              0.4639250
Ti    P
  59284.9000000              0.0000030
  14323.6000000              0.0000110
   4537.2200000              0.0000460
   1726.5400000              0.0001590
    741.0750000              0.0005830
    343.8070000              0.0017100
    167.8840000              0.0052750
     85.0394000              0.0126190
     44.3829000              0.0300870
     23.7928000              0.0478170
     13.0536000              0.0780840
      7.2687200              0.0572690
      4.0380500              0.0042350
      2.1929400             -0.2405920
      1.1616200             -0.3988240
      0.6032500             -0.3071790
      0.3001740              1.2623310
      0.1301310              0.2556860
      0.0572230             -0.8992420
Ti    P
  59284.9000000              0.0000040
  14323.6000000              0.0000150
   4537.2200000              0.0000510
   1726.5400000              0.0002320
    741.0750000              0.0006090
    343.8070000              0.0025490
    167.8840000              0.0054260
     85.0394000              0.0189510
     44.3829000              0.0294070
     23.7928000              0.0786330
     13.0536000              0.0601470
      7.2687200              0.1842020
      4.0380500             -0.1207450
      2.1929400             -0.3032660
      1.1616200             -1.2402470
      0.6032500              1.9464230
      0.3001740              0.3010090
      0.1301310             -1.9812890
      0.0572230              1.1972360
Ti    P
  59284.9000000             -0.0000060
  14323.6000000             -0.0000180
   4537.2200000             -0.0000810
   1726.5400000             -0.0002690
    741.0750000             -0.0010210
    343.8070000             -0.0028930
    167.8840000             -0.0093000
     85.0394000             -0.0215640
     44.3829000             -0.0538970
     23.7928000             -0.0809110
     13.0536000             -0.1385590
      7.2687200             -0.1746190
      4.0380500              0.0897820
      2.1929400              1.4800170
      1.1616200             -0.5900780
      0.6032500             -2.8885950
      0.3001740              4.2554030
      0.1301310             -2.8758510
      0.0572230              0.8101380
Ti    P
      5.7813000              1.0000000
Ti    P
      1.6500000              1.0000000
Ti    P
      0.0249100              1.0000000
Ti    P
      0.0108400              1.0000000
Ti    D
    261.2460000              0.0002210
     77.4454000              0.0019730
     29.6879000              0.0101400
     12.7642000              0.0343140
      5.8299200              0.0898200
      2.7978300              0.1779610
      1.3638300              0.2593050
      0.6600370              0.2967420
      0.3136990              0.2697420
      0.1449780              0.1799180
      0.0647720              0.0669950
Ti    D
    261.2460000             -0.0002250
     77.4454000             -0.0020120
     29.6879000             -0.0103650
     12.7642000             -0.0353510
      5.8299200             -0.0943990
      2.7978300             -0.1831950
      1.3638300             -0.2438690
      0.6600370             -0.1915460
      0.3136990              0.1086070
      0.1449780              0.4574300
      0.0647720              0.3913590
Ti    D
    261.2460000             -0.0003590
     77.4454000             -0.0031940
     29.6879000             -0.0167290
     12.7642000             -0.0574460
      5.8299200             -0.1579450
      2.7978300             -0.2878870
      1.3638300             -0.2743220
      0.6600370              0.1968330
      0.3136990              0.6962870
      0.1449780              0.0262030
      0.0647720             -0.6014690
Ti    D
    261.2460000              0.0004330
     77.4454000              0.0036220
     29.6879000              0.0201220
     12.7642000              0.0664280
      5.8299200              0.2041410
      2.7978300              0.3220550
      1.3638300              0.1271500
      0.6600370             -0.9939100
      0.3136990              0.0726930
      0.1449780              1.1603820
      0.0647720             -0.6995170
Ti    D
    261.2460000              0.0005540
     77.4454000              0.0061940
     29.6879000              0.0274000
     12.7642000              0.1196640
      5.8299200              0.2918240
      2.7978300              0.5157480
      1.3638300             -0.9398630
      0.6600370             -0.5732200
      0.3136990              1.9949630
      0.1449780             -1.6489450
      0.0647720              0.2848740
Ti    D
      3.4534000              1.0000000
Ti    D
      1.9445000              1.0000000
Ti    D
      0.0273760              1.0000000
Ti    D
      0.0115700              1.0000000
Ti    F
      5.0709000              1.0000000
Ti    F
      2.1837000              1.0000000
Ti    F
      0.9404000              1.0000000
Ti    F
      0.4049000              1.0000000
Ti    F
      0.1277000              1.0000000
Ti    F
      0.0402700              1.0000000
Ti    G
      4.0100000              1.0000000
Ti    G
      1.8192000              1.0000000
Ti    G
      0.8254000              1.0000000
Ti    G
      0.2544000              1.0000000
Ti    G
      0.0784100              1.0000000
Ti    H
      3.6168000              1.0000000
Ti    H
      1.5432000              1.0000000
Ti    H
      0.5044000              1.0000000
Ti    H
      0.1648600              1.0000000
Ti    I
      3.1547000              1.0000000
Ti    I
      0.9864000              1.0000000
Ti    I
      0.3084200              1.0000000
end
basis "V_aug-cc-pwcv5z-dk" 
#basis SET: (220s,137p,59d,6f,5g,4h,3i) -> [12s,11p,9d,6f,5g,4h,3i]
V    S
      1.28349E+08            7.356705E-06
      2.29044E+07            1.786824E-05
      5.10777E+06            5.098889E-05
      1.36528E+06            0.000121072
 422228.0000000              0.0002732114
 146685.0000000              0.0005857547
  55872.3000000              0.001239105
  22881.3000000              0.002625599
   9920.4500000              0.00565687
   4499.9200000              0.01237143
   2116.7500000              0.02703115
   1026.0600000              0.05709522
    510.2570000              0.1115932
    259.5320000              0.1898393
    134.7090000              0.2543687
     71.2104000              0.2252741
     38.2496000              0.1067044
     20.8102000              0.0511901
     11.4158000              0.09230865
      6.2730200              0.09330965
      3.4217700              0.03315559
      1.8304400              0.003087216
      0.9452350              0.0001488484
      0.4759280             -5.731104E-05
      0.1863810              5.722118E-06
      0.1067680              7.095741E-06
      0.0499790              1.841164E-05
V    S
      1.28349E+08           -4.077497E-06
      2.29044E+07           -9.904408E-06
      5.10777E+06           -2.826701E-05
      1.36528E+06           -6.713697E-05
 422228.0000000             -0.0001515645
 146685.0000000             -0.00032518
  55872.3000000             -0.0006886285
  22881.3000000             -0.00146189
   9920.4500000             -0.00315893
   4499.9200000             -0.006946262
   2116.7500000             -0.01532505
   1026.0600000             -0.03299103
    510.2570000             -0.06684496
    259.5320000             -0.1220202
    134.7090000             -0.1873822
     71.2104000             -0.2113255
     38.2496000             -0.1130379
     20.8102000              0.1277586
     11.4158000              0.4186041
      6.2730200              0.4309142
      3.4217700              0.1532117
      1.8304400              0.0139112
      0.9452350             -0.0005845882
      0.4759280             -0.0007972901
      0.1863810             -5.538211E-05
      0.1067680              6.572664E-05
      0.0499790              7.19369E-05
V    S
      1.28349E+08            8.603915E-07
      2.29044E+07            2.090087E-06
      5.10777E+06            5.965628E-06
      1.36528E+06            1.417245E-05
 422228.0000000              3.200385E-05
 146685.0000000              6.871208E-05
  55872.3000000              0.0001456091
  22881.3000000              0.0003096893
   9920.4500000              0.0006704643
   4499.9200000              0.001481838
   2116.7500000              0.003291939
   1026.0600000              0.007201054
    510.2570000              0.01497543
    259.5320000              0.0287821
    134.7090000              0.04804314
     71.2104000              0.06159329
     38.2496000              0.03536191
     20.8102000             -0.06073828
     11.4158000             -0.2436103
      6.2730200             -0.3702706
      3.4217700             -0.1271151
      1.8304400              0.3751019
      0.9452350              0.6053597
      0.4759280              0.2921984
      0.1863810              0.02433509
      0.1067680             -0.004127538
      0.0499790              0.003018388
V    S
      1.28349E+08           -2.00208E-07
      2.29044E+07           -4.863529E-07
      5.10777E+06           -1.388165E-06
      1.36528E+06           -3.297899E-06
 422228.0000000             -7.447067E-06
 146685.0000000             -1.59897E-05
  55872.3000000             -3.388204E-05
  22881.3000000             -7.20715E-05
   9920.4500000             -0.0001560162
   4499.9200000             -0.0003449014
   2116.7500000             -0.0007661694
   1026.0600000             -0.00167669
    510.2570000             -0.003487904
    259.5320000             -0.006711267
    134.7090000             -0.0112217
     71.2104000             -0.01444379
     38.2496000             -0.00833094
     20.8102000              0.0144271
     11.4158000              0.05982672
      6.2730200              0.09540397
      3.4217700              0.03117879
      1.8304400             -0.1132242
      0.9452350             -0.2210081
      0.4759280             -0.2196576
      0.1863810              0.0003626926
      0.1067680              0.4068028
      0.0499790              0.5697882
V    S
      1.28349E+08           -3.901614E-07
      2.29044E+07           -9.475826E-07
      5.10777E+06           -2.70579E-06
      1.36528E+06           -6.422846E-06
 422228.0000000             -1.452788E-05
 146685.0000000             -3.109393E-05
  55872.3000000             -6.626421E-05
  22881.3000000             -0.0001396479
   9920.4500000             -0.0003065372
   4499.9200000             -0.000664949
   2116.7500000             -0.00151327
   1026.0600000             -0.003216756
    510.2570000             -0.006933933
    259.5320000             -0.01278132
    134.7090000             -0.02268481
     71.2104000             -0.02661842
     38.2496000             -0.02007282
     20.8102000              0.03592281
     11.4158000              0.1069343
      6.2730200              0.2278498
      3.4217700              0.01379761
      1.8304400             -0.2372538
      0.9452350             -0.7484825
      0.4759280              0.02202189
      0.1863810              1.2833500
      0.1067680              0.4625684
      0.0499790             -0.7206233
V    S
      1.28349E+08           -5.943749E-07
      2.29044E+07           -1.443354E-06
      5.10777E+06           -4.122573E-06
      1.36528E+06           -9.780822E-06
 422228.0000000             -2.214671E-05
 146685.0000000             -4.730618E-05
  55872.3000000             -0.0001011766
  22881.3000000             -0.000211986
   9920.4500000             -0.0004694133
   4499.9200000             -0.001006324
   2116.7500000             -0.00232522
   1026.0600000             -0.004855172
    510.2570000             -0.01070394
    259.5320000             -0.01923086
    134.7090000             -0.03545813
     71.2104000             -0.03942564
     38.2496000             -0.03445506
     20.8102000              0.06260601
     11.4158000              0.1646280
      6.2730200              0.4190186
      3.4217700             -0.05135443
      1.8304400             -0.6890882
      0.9452350             -1.4265880
      0.4759280              2.1578180
      0.1863810              1.5272650
      0.1067680             -2.8478340
      0.0499790             -0.04977937
V    S
      1.28349E+08           -7.289808E-07
      2.29044E+07           -1.771972E-06
      5.10777E+06           -5.05166E-06
      1.36528E+06           -1.202932E-05
 422228.0000000             -2.704018E-05
 146685.0000000             -5.856786E-05
  55872.3000000             -0.0001222068
  22881.3000000             -0.0002665839
   9920.4500000             -0.0005559679
   4499.9200000             -0.001293282
   2116.7500000             -0.002695009
   1026.0600000             -0.006381528
    510.2570000             -0.01210982
    259.5320000             -0.02625689
    134.7090000             -0.03787767
     71.2104000             -0.06283789
     38.2496000             -0.01409767
     20.8102000              0.01527717
     11.4158000              0.3657945
      6.2730200              0.4139635
      3.4217700              0.003465761
      1.8304400             -2.1710400
      0.9452350              0.5191237
      0.4759280              3.3917220
      0.1863810             -4.9828040
      0.1067680              1.6527780
      0.0499790              2.6936830
V    S
      1.28349E+08           -9.534105E-07
      2.29044E+07           -2.320734E-06
      5.10777E+06           -6.598483E-06
      1.36528E+06           -1.579531E-05
 422228.0000000             -3.513656E-05
 146685.0000000             -7.763263E-05
  55872.3000000             -0.0001562748
  22881.3000000             -0.0003611841
   9920.4500000             -0.0006895381
   4499.9200000             -0.001804534
   2116.7500000             -0.003226883
   1026.0600000             -0.009168809
    510.2570000             -0.01391968
    259.5320000             -0.03951576
    134.7090000             -0.03886446
     71.2104000             -0.1101614
     38.2496000              0.03633212
     20.8102000             -0.08353228
     11.4158000              0.7752076
      6.2730200              0.3636147
      3.4217700             -0.2488450
      1.8304400             -4.9880880
      0.9452350              8.8278190
      0.4759280             -5.6118930
      0.1863810             -1.7489600
      0.1067680              6.6204950
      0.0499790             -6.0660540
V    S
      4.6742000              1.0000000
V    S
      1.4892000              1.0000000
V    S
      0.0235010              1.0000000
V    S
      0.0110500              1.0000000
V    P
  67602.1000000              0.0000170
  16330.1000000              0.0000560
   5149.5900000              0.0002280
   1950.0300000              0.0008130
    834.4630000              0.0027730
    386.9900000              0.0086180
    189.3720000              0.0243890
     96.2845000              0.0613800
     50.4640000              0.1315120
     27.1483000              0.2254540
     14.9256000              0.2991520
      8.3161700              0.2750970
      4.6208600              0.1389430
      2.5113800              0.0274120
      1.3309100             -0.0003570
      0.6904150             -0.0016060
      0.3432070             -0.0007230
      0.1459030             -0.0000470
      0.0629230             -0.0000080
V    P
  67602.1000000             -0.0000060
  16330.1000000             -0.0000190
   5149.5900000             -0.0000780
   1950.0300000             -0.0002780
    834.4630000             -0.0009500
    386.9900000             -0.0029650
    189.3720000             -0.0084780
     96.2845000             -0.0217270
     50.4640000             -0.0479100
     27.1483000             -0.0848350
     14.9256000             -0.1182250
      8.3161700             -0.1095570
      4.6208600              0.0179470
      2.5113800              0.2471120
      1.3309100              0.4021140
      0.6904150              0.3402800
      0.3432070              0.1277560
      0.1459030              0.0116850
      0.0629230              0.0003950
V    P
  67602.1000000              0.0000010
  16330.1000000              0.0000050
   5149.5900000              0.0000190
   1950.0300000              0.0000670
    834.4630000              0.0002300
    386.9900000              0.0007130
    189.3720000              0.0020570
     96.2845000              0.0052380
     50.4640000              0.0116840
     27.1483000              0.0205230
     14.9256000              0.0292840
      8.3161700              0.0263730
      4.6208600             -0.0065840
      2.5113800             -0.0738030
      1.3309100             -0.1194390
      0.6904150             -0.1240420
      0.3432070              0.0379050
      0.1459030              0.3730470
      0.0629230              0.5239770
V    P
  67602.1000000              0.0000020
  16330.1000000              0.0000060
   5149.5900000              0.0000240
   1950.0300000              0.0000840
    834.4630000              0.0002890
    386.9900000              0.0008970
    189.3720000              0.0025820
     96.2845000              0.0065830
     50.4640000              0.0146450
     27.1483000              0.0257980
     14.9256000              0.0366620
      8.3161700              0.0334130
      4.6208600             -0.0073480
      2.5113800             -0.0897590
      1.3309100             -0.1469230
      0.6904150             -0.1705400
      0.3432070              0.0258650
      0.1459030              0.6050070
      0.0629230              0.4600060
V    P
  67602.1000000              0.0000040
  16330.1000000              0.0000110
   5149.5900000              0.0000490
   1950.0300000              0.0001630
    834.4630000              0.0006020
    386.9900000              0.0017350
    189.3720000              0.0053940
     96.2845000              0.0126850
     50.4640000              0.0308350
     27.1483000              0.0487250
     14.9256000              0.0823030
      8.3161700              0.0594740
      4.6208600              0.0086460
      2.5113800             -0.2621160
      1.3309100             -0.3935920
      0.6904150             -0.2871610
      0.3432070              1.2506070
      0.1459030              0.2254460
      0.0629230             -0.8781090
V    P
  67602.1000000             -0.0000040
  16330.1000000             -0.0000160
   5149.5900000             -0.0000560
   1950.0300000             -0.0002410
    834.4630000             -0.0006620
    386.9900000             -0.0026190
    189.3720000             -0.0058290
     96.2845000             -0.0193560
     50.4640000             -0.0319690
     27.1483000             -0.0805560
     14.9256000             -0.0704160
      8.3161700             -0.1831570
      4.6208600              0.1115480
      2.5113800              0.3981650
      1.3309100              1.0931130
      0.6904150             -1.8838240
      0.3432070             -0.2273100
      0.1459030              1.8732010
      0.0629230             -1.1618350
V    P
  67602.1000000             -0.0000060
  16330.1000000             -0.0000190
   5149.5900000             -0.0000870
   1950.0300000             -0.0002700
    834.4630000             -0.0010940
    386.9900000             -0.0028450
    189.3720000             -0.0098880
     96.2845000             -0.0208950
     50.4640000             -0.0577290
     27.1483000             -0.0780440
     14.9256000             -0.1627120
      8.3161700             -0.1599950
      4.6208600              0.0926730
      2.5113800              1.5778810
      1.3309100             -0.8678530
      0.6904150             -2.5562590
      0.3432070              4.0136040
      0.1459030             -2.7955480
      0.0629230              0.8804900
V    P
      6.7472000              1.0000000
V    P
      1.9539000              1.0000000
V    P
      0.0268830              1.0000000
V    P
      0.0114900              1.0000000
V    D
    315.8080000              0.0002050
     93.6334000              0.0018340
     36.0393000              0.0095670
     15.6258000              0.0329840
      7.2005900              0.0872900
      3.4805900              0.1761900
      1.7098600              0.2606360
      0.8329620              0.2990220
      0.3976410              0.2693220
      0.1841450              0.1762820
      0.0821190              0.0656500
V    D
    315.8080000             -0.0002170
     93.6334000             -0.0019460
     36.0393000             -0.0101870
     15.6258000             -0.0353910
      7.2005900             -0.0959860
      3.4805900             -0.1908580
      1.7098600             -0.2515260
      0.8329620             -0.1781850
      0.3976410              0.1286570
      0.1841450              0.4500970
      0.0821190              0.3818610
V    D
    315.8080000             -0.0003380
     93.6334000             -0.0030140
     36.0393000             -0.0159950
     15.6258000             -0.0560850
      7.2005900             -0.1575950
      3.4805900             -0.2972960
      1.7098600             -0.2699670
      0.8329620              0.2244730
      0.3976410              0.6824160
      0.1841450              0.0013190
      0.0821190             -0.5971310
V    D
    315.8080000             -0.0004460
     93.6334000             -0.0038100
     36.0393000             -0.0212090
     15.6258000             -0.0727570
      7.2005900             -0.2287970
      3.4805900             -0.3698700
      1.7098600             -0.0120350
      0.8329620              0.9990860
      0.3976410             -0.2211580
      0.1841450             -1.0290000
      0.0821190              0.6624090
V    D
    315.8080000              0.0005350
     93.6334000              0.0056360
     36.0393000              0.0266230
     15.6258000              0.1140920
      7.2005900              0.3131230
      3.4805900              0.4547320
      1.7098600             -0.9829330
      0.8329620             -0.3904280
      0.3976410              1.8432160
      0.1841450             -1.5757380
      0.0821190              0.2036060
V    D
      4.2941000              1.0000000
V    D
      2.5036000              1.0000000
V    D
      0.0344420              1.0000000
V    D
      0.0144500              1.0000000
V    F
      6.6514000              1.0000000
V    F
      2.8885000              1.0000000
V    F
      1.2544000              1.0000000
V    F
      0.5447000              1.0000000
V    F
      0.1769000              1.0000000
V    F
      0.0574500              1.0000000
V    G
      4.8058000              1.0000000
V    G
      2.2562000              1.0000000
V    G
      1.0592000              1.0000000
V    G
      0.3521000              1.0000000
V    G
      0.1170500              1.0000000
V    H
      4.3898000              1.0000000
V    H
      1.9449000              1.0000000
V    H
      0.6908000              1.0000000
V    H
      0.2453600              1.0000000
V    I
      4.1690000              1.0000000
V    I
      1.5368000              1.0000000
V    I
      0.5665000              1.0000000
end
basis "Cr_aug-cc-pwcv5z-dk" 
#basis SET: (220s,137p,59d,6f,5g,4h,3i) -> [12s,11p,9d,6f,5g,4h,3i]
Cr    S
      1.35540E+08            7.988356E-06
      2.42404E+07            1.931266E-05
      5.41227E+06            5.501981E-05
      1.44792E+06            0.0001302212
 448199.0000000              0.0002927924
 155899.0000000              0.00062447
  59479.6000000              0.001312315
  24408.1000000              0.002757895
  10607.0000000              0.005886864
   4823.0800000              0.01275334
   2274.0800000              0.02764037
   1104.5400000              0.0580299
    550.0990000              0.1129400
    280.0100000              0.1914790
    145.3300000              0.2553998
     76.7551000              0.2241805
     41.1594000              0.1046212
     22.3445000              0.05226127
     12.2293000              0.0943261
      6.7077700              0.08989426
      3.6569400              0.02958319
      1.9597800              0.00260282
      1.0175800              0.0001529062
      0.5129130             -3.148845E-05
      0.1947980              3.298129E-06
      0.1109690              1.448278E-05
      0.0521230              2.195862E-05
Cr    S
      1.35540E+08           -4.423503E-06
      2.42404E+07           -1.069522E-05
      5.41227E+06           -3.047394E-05
      1.44792E+06           -7.21459E-05
 448199.0000000             -0.0001622872
 155899.0000000             -0.0003463873
  59479.6000000             -0.0007287714
  24408.1000000             -0.001534531
  10607.0000000             -0.003285742
   4823.0800000             -0.007158385
   2274.0800000             -0.01567068
   1104.5400000             -0.03354476
    550.0990000             -0.0677352
    280.0100000             -0.1233915
    145.3300000             -0.1891323
     76.7551000             -0.2118809
     41.1594000             -0.1088253
     22.3445000              0.1418616
     12.2293000              0.4340020
      6.7077700              0.4205940
      3.6569400              0.1383169
      1.9597800              0.01178943
      1.0175800             -0.0005634646
      0.5129130             -0.0006341974
      0.1947980             -6.242247E-05
      0.1109690              0.0001024304
      0.0521230              8.812774E-05
Cr    S
      1.35540E+08            9.507938E-07
      2.42404E+07            2.29903E-06
      5.41227E+06            6.55129E-06
      1.44792E+06            1.551391E-05
 448199.0000000              3.490796E-05
 155899.0000000              7.456195E-05
  59479.6000000              0.0001569865
  24408.1000000              0.0003311904
  10607.0000000              0.0007105562
   4823.0800000              0.001556112
   2274.0800000              0.003430565
   1104.5400000              0.007463144
    550.0990000              0.01547014
    280.0100000              0.02968119
    145.3300000              0.04946573
     76.7551000              0.06298093
     41.1594000              0.03446065
     22.3445000             -0.06854433
     12.2293000             -0.2618341
      6.7077700             -0.3734862
      3.6569400             -0.09374652
      1.9597800              0.4031850
      1.0175800              0.5928442
      0.5129130              0.2710006
      0.1947980              0.02094043
      0.1109690             -0.003769577
      0.0521230              0.003102853
Cr    S
      1.35540E+08           -2.169298E-07
      2.42404E+07           -5.245406E-07
      5.41227E+06           -1.494719E-06
      1.44792E+06           -3.539655E-06
 448199.0000000             -7.964466E-06
 155899.0000000             -1.701262E-05
  59479.6000000             -3.581758E-05
  24408.1000000             -7.557175E-05
  10607.0000000             -0.0001621265
   4823.0800000             -0.0003551212
   2274.0800000             -0.0007829176
   1104.5400000             -0.001703819
    550.0990000             -0.003533391
    280.0100000             -0.006786357
    145.3300000             -0.01133321
     76.7551000             -0.01448465
     41.1594000             -0.007973652
     22.3445000              0.0160128
     12.2293000              0.06326731
      6.7077700              0.09472229
      3.6569400              0.02146664
      1.9597800             -0.1199792
      1.0175800             -0.2179553
      0.5129130             -0.2049556
      0.1947980              0.02536035
      0.1109690              0.4083642
      0.0521230              0.5538116
Cr    S
      1.35540E+08           -4.324902E-07
      2.42404E+07           -1.04551E-06
      5.41227E+06           -2.980671E-06
      1.44792E+06           -7.052143E-06
 448199.0000000             -1.58966E-05
 155899.0000000             -3.383913E-05
  59479.6000000             -7.168719E-05
  24408.1000000             -0.000149717
  10607.0000000             -0.0003261726
   4823.0800000             -0.0006995308
   2274.0800000             -0.00158454
   1104.5400000             -0.003337475
    550.0990000             -0.007202878
    280.0100000             -0.01318455
    145.3300000             -0.02352663
     76.7551000             -0.02711642
     41.1594000             -0.0202532
     22.3445000              0.04086224
     12.2293000              0.1151279
      6.7077700              0.2357592
      3.6569400             -0.01495497
      1.9597800             -0.2568686
      1.0175800             -0.7608963
      0.5129130              0.1231665
      0.1947980              1.3336790
      0.1109690              0.3116838
      0.0521230             -0.7120654
Cr    S
      1.35540E+08           -6.655637E-07
      2.42404E+07           -1.608754E-06
      5.41227E+06           -4.587504E-06
      1.44792E+06           -1.08491E-05
 448199.0000000             -2.447725E-05
 155899.0000000             -5.20181E-05
  59479.6000000             -0.0001105326
  24408.1000000             -0.0002297131
  10607.0000000             -0.000504199
   4823.0800000             -0.001070484
   2274.0800000             -0.00245684
   1104.5400000             -0.005096075
    550.0990000             -0.01121471
    280.0100000             -0.02008902
    145.3300000             -0.03704662
     76.7551000             -0.04084003
     41.1594000             -0.03465912
     22.3445000              0.07017551
     12.2293000              0.1839111
      6.7077700              0.4352639
      3.6569400             -0.1145446
      1.9597800             -0.7658490
      1.0175800             -1.3228080
      0.5129130              2.3125880
      0.1947980              1.1444920
      0.1109690             -2.7281420
      0.0521230              0.1723585
Cr    S
      1.35540E+08            8.351431E-07
      2.42404E+07            2.021012E-06
      5.41227E+06            5.750406E-06
      1.44792E+06            1.365756E-05
 448199.0000000              3.055438E-05
 155899.0000000              6.599075E-05
  59479.6000000              0.0001362312
  24408.1000000              0.0002968797
  10607.0000000              0.0006067803
   4823.0800000              0.001420496
   2274.0800000              0.002878306
   1104.5400000              0.006948735
    550.0990000              0.01275716
    280.0100000              0.02863296
    145.3300000              0.03931614
     76.7551000              0.06960472
     41.1594000              0.007792521
     22.3445000             -0.01205026
     12.2293000             -0.4427734
      6.7077700             -0.3877571
      3.6569400              0.1015322
      1.9597800              2.4134830
      1.0175800             -1.3135760
      0.5129130             -2.6704710
      0.1947980              5.1440310
      0.1109690             -2.5322670
      0.0521230             -2.0012780
Cr    S
      1.35540E+08           -1.037822E-06
      2.42404E+07           -2.51344E-06
      5.41227E+06           -7.141104E-06
      1.44792E+06           -1.700894E-05
 448199.0000000             -3.783814E-05
 155899.0000000             -8.261133E-05
  59479.6000000             -0.0001672367
  24408.1000000             -0.0003762776
  10607.0000000             -0.0007322734
   4823.0800000             -0.001831629
   2274.0800000             -0.003406227
   1104.5400000             -0.009120497
    550.0990000             -0.01478319
    280.0100000             -0.03866482
    145.3300000             -0.04311799
     76.7551000             -0.1032378
     41.1594000              0.02075082
     22.3445000             -0.03914516
     12.2293000              0.7650270
      6.7077700              0.4583898
      3.6569400             -0.8162241
      1.9597800             -4.2566620
      1.0175800              8.7954540
      0.5129130             -6.3674240
      0.1947980             -0.07718246
      0.1109690              4.9948380
      0.0521230             -5.5369870
Cr    S
      5.2776000              1.0000000
Cr    S
      1.7542000              1.0000000
Cr    S
      0.0244890              1.0000000
Cr    S
      0.0115100              1.0000000
Cr    P
  72029.6000000              0.0000180
  17890.9000000              0.0000580
   5678.2800000              0.0002350
   2138.7500000              0.0008390
    905.8550000              0.0028990
    415.6450000              0.0091160
    201.6950000              0.0259650
    102.0400000              0.0652290
     53.3955000              0.1381920
     28.7570000              0.2329390
     15.8536000              0.3018830
      8.8638500              0.2665600
      4.9433400              0.1274760
      2.6973200              0.0235560
      1.4364300             -0.0004170
      0.7485180             -0.0014190
      0.3733100             -0.0006110
      0.1577460             -0.0000370
      0.0674450             -0.0000060
Cr    P
  72029.6000000             -0.0000060
  17890.9000000             -0.0000200
   5678.2800000             -0.0000810
   2138.7500000             -0.0002910
    905.8550000             -0.0010080
    415.6450000             -0.0031870
    201.6950000             -0.0091780
    102.0400000             -0.0235020
     53.3955000             -0.0513060
     28.7570000             -0.0894510
     15.8536000             -0.1220480
      8.8638500             -0.1053490
      4.9433400              0.0349420
      2.6973200              0.2633420
      1.4364300              0.4014720
      0.7485180              0.3252750
      0.3733100              0.1179790
      0.1577460              0.0104140
      0.0674450              0.0003090
Cr    P
  72029.6000000              0.0000020
  17890.9000000              0.0000050
   5678.2800000              0.0000190
   2138.7500000              0.0000680
    905.8550000              0.0002390
    415.6450000              0.0007500
    201.6950000              0.0021780
    102.0400000              0.0055440
     53.3955000              0.0122430
     28.7570000              0.0211740
     15.8536000              0.0296210
      8.8638500              0.0246650
      4.9433400             -0.0108710
      2.6973200             -0.0772030
      1.4364300             -0.1173230
      0.7485180             -0.1154640
      0.3733100              0.0466460
      0.1577460              0.3726460
      0.0674450              0.5199920
Cr    P
  72029.6000000              0.0000020
  17890.9000000              0.0000060
   5678.2800000              0.0000250
   2138.7500000              0.0000880
    905.8550000              0.0003080
    415.6450000              0.0009680
    201.6950000              0.0028070
    102.0400000              0.0071480
     53.3955000              0.0157580
     28.7570000              0.0273110
     15.8536000              0.0381310
      8.8638500              0.0321240
      4.9433400             -0.0130760
      2.6973200             -0.0972130
      1.4364300             -0.1500190
      0.7485180             -0.1633260
      0.3733100              0.0542490
      0.1577460              0.6112600
      0.0674450              0.4390970
Cr    P
  72029.6000000              0.0000040
  17890.9000000              0.0000120
   5678.2800000              0.0000530
   2138.7500000              0.0001780
    905.8550000              0.0006580
    415.6450000              0.0019430
    201.6950000              0.0060100
    102.0400000              0.0142900
     53.3955000              0.0340490
     28.7570000              0.0535590
     15.8536000              0.0880820
      8.8638500              0.0596580
      4.9433400             -0.0075160
      2.6973200             -0.3010680
      1.4364300             -0.4037260
      0.7485180             -0.1805400
      0.3733100              1.2490040
      0.1577460              0.1136350
      0.0674450             -0.8277730
Cr    P
  72029.6000000              0.0000050
  17890.9000000              0.0000170
   5678.2800000              0.0000630
   2138.7500000              0.0002590
    905.8550000              0.0007560
    415.6450000              0.0028670
    201.6950000              0.0068170
    102.0400000              0.0213860
     53.3955000              0.0371400
     28.7570000              0.0867790
     15.8536000              0.0821420
      8.8638500              0.1832060
      4.9433400             -0.1563700
      2.6973200             -0.5064860
      1.4364300             -0.8977050
      0.7485180              1.9776090
      0.3733100             -0.0784390
      0.1577460             -1.6907600
      0.0674450              1.1510650
Cr    P
  72029.6000000             -0.0000070
  17890.9000000             -0.0000210
   5678.2800000             -0.0000960
   2138.7500000             -0.0002840
    905.8550000             -0.0012270
    415.6450000             -0.0030680
    201.6950000             -0.0113470
    102.0400000             -0.0225260
     53.3955000             -0.0663840
     28.7570000             -0.0792560
     15.8536000             -0.1962790
      8.8638500             -0.1328260
      4.9433400              0.2007610
      2.6973200              1.6694880
      1.4364300             -1.5147710
      0.7485180             -1.7673040
      0.3733100              3.6122160
      0.1577460             -2.7767190
      0.0674450              1.0038450
Cr    P
      7.7063000              1.0000000
Cr    P
      2.2690000              1.0000000
Cr    P
      0.0285490              1.0000000
Cr    P
      0.0120800              1.0000000
Cr    D
    408.6230000              0.0001600
    120.7610000              0.0014480
     46.4460000              0.0078230
     20.2390000              0.0281850
      9.3638100              0.0772900
      4.5309400              0.1641140
      2.2314000              0.2548640
      1.0877600              0.3022260
      0.5173840              0.2792280
      0.2371640              0.1870480
      0.1033080              0.0708990
Cr    D
    408.6230000             -0.0001810
    120.7610000             -0.0016430
     46.4460000             -0.0089270
     20.2390000             -0.0323460
      9.3638100             -0.0912500
      4.5309400             -0.1928490
      2.2314000             -0.2645410
      1.0877600             -0.1867400
      0.5173840              0.1269280
      0.2371640              0.4503720
      0.1033080              0.3818950
Cr    D
    408.6230000             -0.0002610
    120.7610000             -0.0023550
     46.4460000             -0.0129600
     20.2390000             -0.0472650
      9.3638100             -0.1386330
      4.5309400             -0.2864130
      2.2314000             -0.2875130
      1.0877600              0.1816790
      0.5173840              0.6898620
      0.2371640              0.0343680
      0.1033080             -0.6335340
Cr    D
    408.6230000             -0.0003830
    120.7610000             -0.0032790
     46.4460000             -0.0190900
     20.2390000             -0.0677960
      9.3638100             -0.2245640
      4.5309400             -0.4060110
      2.2314000             -0.0277500
      1.0877600              0.9973750
      0.5173840             -0.1697640
      0.2371640             -1.0397890
      0.1033080              0.6710790
Cr    D
    408.6230000              0.0004370
    120.7610000              0.0045890
     46.4460000              0.0227170
     20.2390000              0.0996160
      9.3638100              0.3058450
      4.5309400              0.4774610
      2.2314000             -0.9325180
      1.0877600             -0.4753000
      0.5173840              1.8742470
      0.2371640             -1.5688730
      0.1033080              0.2238730
Cr    D
      5.1967000              1.0000000
Cr    D
      3.1194000              1.0000000
Cr    D
      0.0414480              1.0000000
Cr    D
      0.0166300              1.0000000
Cr    F
      8.1276000              1.0000000
Cr    F
      3.5260000              1.0000000
Cr    F
      1.5297000              1.0000000
Cr    F
      0.6636000              1.0000000
Cr    F
      0.2158000              1.0000000
Cr    F
      0.0701800              1.0000000
Cr    G
      5.5422000              1.0000000
Cr    G
      2.6311000              1.0000000
Cr    G
      1.2491000              1.0000000
Cr    G
      0.4265000              1.0000000
Cr    G
      0.1456300              1.0000000
Cr    H
      5.1778000              1.0000000
Cr    H
      2.3419000              1.0000000
Cr    H
      0.8661000              1.0000000
Cr    H
      0.3203100              1.0000000
Cr    I
      5.1719000              1.0000000
Cr    I
      2.0805000              1.0000000
Cr    I
      0.8369200              1.0000000
end
basis "Mn_aug-cc-pwcv5z-dk" 
#basis SET: (220s,137p,59d,6f,5g,4h,3i) -> [12s,11p,9d,6f,5g,4h,3i]
Mn    S
      1.37766E+08            9.175881E-06
      2.45640E+07            2.220837E-05
      5.47999E+06            6.312902E-05
      1.46664E+06            0.000149043
 454421.0000000              0.000334252
 158216.0000000              0.0007110598
  60404.3000000              0.001490706
  24793.6000000              0.003125433
  10772.3000000              0.00665555
   4895.5400000              0.01438106
   2306.5600000              0.03106181
   1119.5600000              0.06485971
    557.3810000              0.1250063
    283.7780000              0.2083100
    147.4360000              0.2695263
     78.0227000              0.2254809
     41.9679000              0.09819842
     22.8778000              0.04363582
     12.5845000              0.0696258
      6.9417000              0.05919984
      3.8062900              0.01745965
      2.0503100              0.001273075
      1.0683800             -8.199702E-05
      0.5366060             -8.846319E-05
      0.1832600             -6.838112E-07
      0.1052970              9.2988E-06
      0.0514640              1.077915E-05
Mn    S
      1.37766E+08           -4.381338E-06
      2.45640E+07           -1.060525E-05
      5.47999E+06           -3.015144E-05
      1.46664E+06           -7.120841E-05
 454421.0000000             -0.0001597824
 158216.0000000             -0.000340203
  60404.3000000             -0.0007142262
  24793.6000000             -0.001500807
  10772.3000000             -0.003208026
   4895.5400000             -0.006976942
   2306.5600000             -0.01525116
   1119.5600000             -0.0325723
    557.3810000             -0.06555716
    283.7780000             -0.1186999
    147.4360000             -0.1799524
     78.0227000             -0.1951121
     41.9679000             -0.08217273
     22.8778000              0.1808616
     12.5845000              0.4586460
      6.9417000              0.3972272
      3.8062900              0.1168848
      2.0503100              0.007958495
      1.0683800             -0.002092204
      0.5366060             -0.001135142
      0.1832600             -7.879372E-05
      0.1052970              0.0001025231
      0.0514640              5.410158E-05
Mn    S
      1.37766E+08            1.068287E-06
      2.45640E+07            2.586031E-06
      5.47999E+06            7.352933E-06
      1.46664E+06            1.736941E-05
 454421.0000000              3.898542E-05
 158216.0000000              8.306111E-05
  60404.3000000              0.0001744949
  24793.6000000              0.0003673057
  10772.3000000              0.0007865417
   4895.5400000              0.001718715
   2306.5600000              0.00378089
   1119.5600000              0.008193983
    557.3810000              0.01688439
    283.7780000              0.03203007
    147.4360000              0.05227776
     78.0227000              0.06329496
     41.9679000              0.02730142
     22.8778000             -0.08717741
     12.5845000             -0.2875772
      6.9417000             -0.3628884
      3.8062900             -0.04215027
      2.0503100              0.4388709
      1.0683800              0.5771293
      0.5366060              0.2387704
      0.1832600              0.01570217
      0.1052970             -0.004203808
      0.0514640              0.003045068
Mn    S
      1.37766E+08           -2.38094E-07
      2.45640E+07           -5.763617E-07
      5.47999E+06           -1.638783E-06
      1.46664E+06           -3.871248E-06
 454421.0000000             -8.688905E-06
 158216.0000000             -1.851283E-05
  60404.3000000             -3.889181E-05
  24793.6000000             -8.18682E-05
  10772.3000000             -0.0001753253
   4895.5400000             -0.000383106
   2306.5600000             -0.0008430459
   1119.5600000             -0.001827049
    557.3810000             -0.003768381
    283.7780000             -0.0071523
    147.4360000             -0.01170913
     78.0227000             -0.01421051
     41.9679000             -0.006206358
     22.8778000              0.02000513
     12.5845000              0.06799373
      6.9417000              0.09008027
      3.8062900              0.006726841
      2.0503100             -0.1266192
      1.0683800             -0.2141210
      0.5366060             -0.1856184
      0.1832600              0.0909400
      0.1052970              0.4118037
      0.0514640              0.5094118
Mn    S
      1.37766E+08           -4.84787E-07
      2.45640E+07           -1.173096E-06
      5.47999E+06           -3.337866E-06
      1.46664E+06           -7.874209E-06
 454421.0000000             -1.77214E-05
 158216.0000000             -3.756312E-05
  60404.3000000             -7.964774E-05
  24793.6000000             -0.000165119
  10772.3000000             -0.0003618268
   4895.5400000             -0.0007660144
   2306.5600000             -0.00175539
   1119.5600000             -0.003620866
    557.3810000             -0.007932822
    283.7780000             -0.01397326
    147.4360000             -0.02536594
     78.0227000             -0.02583964
     41.9679000             -0.01989071
     22.8778000              0.05587662
     12.5845000              0.1164236
      6.9417000              0.2517457
      3.8062900             -0.08002852
      2.0503100             -0.2433200
      1.0683800             -0.8158726
      0.5366060              0.3234709
      0.1832600              1.5214530
      0.1052970             -0.1148130
      0.0514640             -0.6387061
Mn    S
      1.37766E+08           -7.512011E-07
      2.45640E+07           -1.817618E-06
      5.47999E+06           -5.172616E-06
      1.46664E+06           -1.21987E-05
 454421.0000000             -2.747141E-05
 158216.0000000             -5.816137E-05
  60404.3000000             -0.0001235878
  24793.6000000             -0.0002553343
  10772.3000000             -0.0005624479
   4895.5400000             -0.001182468
   2306.5600000             -0.002734688
   1119.5600000             -0.005582357
    557.3810000             -0.01239937
    283.7780000             -0.0215283
    147.4360000             -0.04003117
     78.0227000             -0.03951846
     41.9679000             -0.03357302
     22.8778000              0.09316877
     12.5845000              0.1936863
      6.9417000              0.4576255
      3.8062900             -0.2269693
      2.0503100             -0.8205798
      1.0683800             -1.1703670
      0.5366060              2.4796750
      0.1832600              0.5071965
      0.1052970             -2.4559780
      0.0514640              0.4637332
Mn    S
      1.37766E+08            9.501859E-07
      2.45640E+07            2.302638E-06
      5.47999E+06            6.534031E-06
      1.46664E+06            1.549527E-05
 454421.0000000              3.451419E-05
 158216.0000000              7.462236E-05
  60404.3000000              0.0001527131
  24793.6000000              0.0003356054
  10772.3000000              0.0006735275
   4895.5400000              0.001608663
   2306.5600000              0.003158595
   1119.5600000              0.007873457
    557.3810000              0.01373173
    283.7780000              0.03227593
    147.4360000              0.03976109
     78.0227000              0.07706429
     41.9679000             -0.01214183
     22.8778000             -0.005722879
     12.5845000             -0.5354706
      6.9417000             -0.2928017
      3.8062900              0.09232953
      2.0503100              2.8929030
      1.0683800             -2.5729720
      0.5366060             -1.3308900
      0.1832600              5.1351630
      0.1052970             -3.8523080
      0.0514640             -0.9550986
Mn    S
      1.37766E+08           -1.128118E-06
      2.45640E+07           -2.733535E-06
      5.47999E+06           -7.758502E-06
      1.46664E+06           -1.839184E-05
 454421.0000000             -4.099951E-05
 158216.0000000             -8.851677E-05
  60404.3000000             -0.0001816369
  24793.6000000             -0.0003975353
  10772.3000000             -0.0008030675
   4895.5400000             -0.001902448
   2306.5600000             -0.003779167
   1119.5600000             -0.009307704
    557.3810000             -0.0165406
    283.7780000             -0.03821704
    147.4360000             -0.04887395
     78.0227000             -0.09128293
     41.9679000              0.008491437
     22.8778000              0.02611301
     12.5845000              0.7079390
      6.9417000              0.6498609
      3.8062900             -1.5963690
      2.0503100             -3.2731990
      1.0683800              8.6437670
      0.5366060             -7.1910560
      0.1832600              2.6285060
      0.1052970              1.9458760
      0.0514640             -4.4344500
Mn    S
      5.8340000              1.0000000
Mn    S
      1.9879000              1.0000000
Mn    S
      0.0246780              1.0000000
Mn    S
      0.0118300              1.0000000
Mn    P
  79296.8000000              0.0000200
  19317.1000000              0.0000630
   6114.1000000              0.0002480
   2316.2600000              0.0008630
    989.6900000              0.0029100
    457.9420000              0.0090030
    223.6420000              0.0254540
    113.5940000              0.0639330
     59.5621000              0.1361980
     32.1072000              0.2315300
     17.7103000              0.3023300
      9.9062100              0.2689820
      5.5224300              0.1295470
      3.0083200              0.0233200
      1.5987300             -0.0015660
      0.8308680             -0.0023560
      0.4135380             -0.0009350
      0.1712140             -0.0000620
      0.0721220             -0.0000060
Mn    P
  79296.8000000             -0.0000070
  19317.1000000             -0.0000220
   6114.1000000             -0.0000860
   2316.2600000             -0.0003000
    989.6900000             -0.0010160
    457.9420000             -0.0031590
    223.6420000             -0.0090310
    113.5940000             -0.0231260
     59.5621000             -0.0507790
     32.1072000             -0.0893990
     17.7103000             -0.1228770
      9.9062100             -0.1065140
      5.5224300              0.0357560
      3.0083200              0.2669420
      1.5987300              0.4036250
      0.8308680              0.3225890
      0.4135380              0.1156130
      0.1712140              0.0099950
      0.0721220              0.0001640
Mn    P
  79296.8000000             -0.0000020
  19317.1000000             -0.0000050
   6114.1000000             -0.0000200
   2316.2600000             -0.0000690
    989.6900000             -0.0002350
    457.9420000             -0.0007240
    223.6420000             -0.0020910
    113.5940000             -0.0053130
     59.5621000             -0.0118180
     32.1072000             -0.0205920
     17.7103000             -0.0290740
      9.9062100             -0.0242130
      5.5224300              0.0103870
      3.0083200              0.0758020
      1.5987300              0.1132510
      0.8308680              0.1107600
      0.4135380             -0.0458160
      0.1712140             -0.3666060
      0.0721220             -0.5209940
Mn    P
  79296.8000000              0.0000020
  19317.1000000              0.0000070
   6114.1000000              0.0000270
   2316.2600000              0.0000940
    989.6900000              0.0003190
    457.9420000              0.0009840
    223.6420000              0.0028430
    113.5940000              0.0072090
     59.5621000              0.0160560
     32.1072000              0.0279420
     17.7103000              0.0396110
      9.9062100              0.0329680
      5.5224300             -0.0131210
      3.0083200             -0.1026490
      1.5987300             -0.1544890
      0.8308680             -0.1600600
      0.4135380              0.0784490
      0.1712140              0.6163740
      0.0721220              0.4207930
Mn    P
  79296.8000000              0.0000050
  19317.1000000              0.0000140
   6114.1000000              0.0000580
   2316.2600000              0.0001920
    989.6900000              0.0006960
    457.9420000              0.0020080
    223.6420000              0.0062130
    113.5940000              0.0146760
     59.5621000              0.0353990
     32.1072000              0.0558380
     17.7103000              0.0928570
      9.9062100              0.0627380
      5.5224300             -0.0076120
      3.0083200             -0.3326500
      1.5987300             -0.4106540
      0.8308680             -0.1060750
      0.4135380              1.2223080
      0.1712140              0.0490250
      0.0721220             -0.7934070
Mn    P
  79296.8000000              0.0000060
  19317.1000000              0.0000200
   6114.1000000              0.0000710
   2316.2600000              0.0002850
    989.6900000              0.0008150
    457.9420000              0.0030400
    223.6420000              0.0071830
    113.5940000              0.0225240
     59.5621000              0.0396270
     32.1072000              0.0922750
     17.7103000              0.0881760
      9.9062100              0.1941840
      5.5224300             -0.1735320
      3.0083200             -0.6083310
      1.5987300             -0.7382110
      0.8308680              2.0243030
      0.4135380             -0.3298290
      0.1712140             -1.4935320
      0.0721220              1.1177440
Mn    P
  79296.8000000              0.0000080
  19317.1000000              0.0000250
   6114.1000000              0.0001060
   2316.2600000              0.0003420
    989.6900000              0.0012720
    457.9420000              0.0035810
    223.6420000              0.0114470
    113.5940000              0.0264520
     59.5621000              0.0662750
     32.1072000              0.1011730
     17.7103000              0.1824440
      9.9062100              0.2264760
      5.5224300             -0.4191550
      3.0083200             -1.7434020
      1.5987300              2.2743340
      0.8308680              0.6841410
      0.4135380             -2.8576890
      0.1712140              2.5150700
      0.0721220             -1.0349870
Mn    P
      8.8318000              1.0000000
Mn    P
      2.6917000              1.0000000
Mn    P
      0.0301100              1.0000000
Mn    P
      0.0125700              1.0000000
Mn    D
    449.7850000              0.0001690
    132.7510000              0.0015380
     50.9528000              0.0083670
     22.1594000              0.0303140
     10.2612000              0.0828020
      4.9780300              0.1723770
      2.4573000              0.2608660
      1.2010100              0.3011350
      0.5725160              0.2713710
      0.2625960              0.1780740
      0.1141400              0.0677740
Mn    D
    449.7850000             -0.0001730
    132.7510000             -0.0015710
     50.9528000             -0.0085770
     22.1594000             -0.0312520
     10.2612000             -0.0873880
      4.9780300             -0.1828420
      2.4573000             -0.2505620
      1.2010100             -0.1725500
      0.5725160              0.1183370
      0.2625960              0.4199520
      0.1141400              0.4092760
Mn    D
    449.7850000             -0.0002730
    132.7510000             -0.0024890
     50.9528000             -0.0137240
     22.1594000             -0.0506030
     10.2612000             -0.1473270
      4.9780300             -0.2974210
      2.4573000             -0.2738540
      1.2010100              0.1901550
      0.5725160              0.6286420
      0.2625960              0.1058660
      0.1141400             -0.5751650
Mn    D
    449.7850000             -0.0003450
    132.7510000             -0.0031230
     50.9528000             -0.0174550
     22.1594000             -0.0644950
     10.2612000             -0.2022090
      4.9780300             -0.4044630
      2.4573000             -0.0249760
      1.2010100              0.9272090
      0.5725160             -0.0725570
      0.2625960             -0.9877520
      0.1141400              0.4393010
Mn    D
    449.7850000              0.0004430
    132.7510000              0.0041250
     50.9528000              0.0227360
     22.1594000              0.0894400
     10.2612000              0.3004590
      4.9780300              0.4539710
      2.4573000             -0.8298630
      1.2010100             -0.5280360
      0.5725160              1.6092210
      0.2625960             -0.9535770
      0.1141400             -0.3842430
Mn    D
      5.9718000              1.0000000
Mn    D
      3.5428000              1.0000000
Mn    D
      0.0456420              1.0000000
Mn    D
      0.0182500              1.0000000
Mn    F
      9.4747000              1.0000000
Mn    F
      4.1404000              1.0000000
Mn    F
      1.8093000              1.0000000
Mn    F
      0.7906000              1.0000000
Mn    F
      0.2614000              1.0000000
Mn    F
      0.0864300              1.0000000
Mn    G
      6.4908000              1.0000000
Mn    G
      3.1225000              1.0000000
Mn    G
      1.5022000              1.0000000
Mn    G
      0.5327000              1.0000000
Mn    G
      0.1889000              1.0000000
Mn    H
      6.0071000              1.0000000
Mn    H
      2.7692000              1.0000000
Mn    H
      1.0636000              1.0000000
Mn    H
      0.4085100              1.0000000
Mn    I
      6.0846000              1.0000000
Mn    I
      2.5736000              1.0000000
Mn    I
      1.0885500              1.0000000
end
basis "Fe_aug-cc-pwcv5z-dk" 
#basis SET: (220s,137p,59d,6f,5g,4h,2i) -> [12s,11p,9d,6f,5g,4h,2i]
Fe    S
      1.497690E+08           9.531119E-06
      2.672250E+07           2.300510E-05
      5.959000E+06           6.533733E-05
      1.593610E+06           1.539246E-04
      4.934640E+05           3.441447E-04
      1.717900E+05           7.285032E-04
      6.562090E+04           1.517001E-03
      2.696560E+04           3.152876E-03
      1.173530E+04           6.646998E-03
      5.343430E+03           1.421791E-02
      2.522500E+03           3.045407E-02
      1.226430E+03           6.326536E-02
      6.112690E+02           1.217368E-01
      3.113080E+02           2.031899E-01
      1.616240E+02           2.639911E-01
      8.537670E+01           2.217772E-01
      4.579110E+01           9.737963E-02
      2.486770E+01           4.984019E-02
      1.362020E+01           8.424513E-02
      7.481060E+00           6.965248E-02
      4.088170E+00           1.953405E-02
      2.199050E+00           1.411159E-03
      1.148150E+00          -3.351105E-05
      5.772650E-01          -6.461351E-05
      1.976350E-01          -5.426027E-07
      1.089860E-01           9.196538E-06
      5.321600E-02           8.539820E-06
Fe    S
      1.497690E+08          -4.913763E-06
      2.672250E+07          -1.186149E-05
      5.959000E+06          -3.369390E-05
      1.593610E+06          -7.940325E-05
      4.934640E+05          -1.776260E-04
      1.717900E+05          -3.763323E-04
      6.562090E+04          -7.847577E-04
      2.696560E+04          -1.634599E-03
      1.173530E+04          -3.458929E-03
      5.343430E+03          -7.445276E-03
      2.522500E+03          -1.613255E-02
      1.226430E+03          -3.424328E-02
      6.112690E+02          -6.867767E-02
      3.113080E+02          -1.241129E-01
      1.616240E+02          -1.879234E-01
      8.537670E+01          -2.035676E-01
      4.579110E+01          -8.676264E-02
      2.486770E+01           1.846239E-01
      1.362020E+01           4.648402E-01
      7.481060E+00           3.903679E-01
      4.088170E+00           1.090655E-01
      2.199050E+00           7.382610E-03
      1.148150E+00          -1.537976E-03
      5.772650E-01          -7.905751E-04
      1.976350E-01          -6.577098E-05
      1.089860E-01           8.549943E-05
      5.321600E-02           3.097134E-05
Fe    S
      1.497690E+08           1.145921E-06
      2.672250E+07           2.766402E-06
      5.959000E+06           7.859110E-06
      1.593610E+06           1.852562E-05
      4.934640E+05           4.145544E-05
      1.717900E+05           8.789446E-05
      6.562090E+04           1.834278E-04
      2.696560E+04           3.827944E-04
      1.173530E+04           8.117003E-04
      5.343430E+03           1.756160E-03
      2.522500E+03           3.832022E-03
      1.226430E+03           8.263218E-03
      6.112690E+02           1.700162E-02
      3.113080E+02           3.230925E-02
      1.616240E+02           5.300739E-02
      8.537670E+01           6.470433E-02
      4.579110E+01           2.828077E-02
      2.486770E+01          -9.137907E-02
      1.362020E+01          -2.999505E-01
      7.481060E+00          -3.644776E-01
      4.088170E+00          -1.915949E-02
      2.199050E+00           4.570656E-01
      1.148150E+00           5.657498E-01
      5.772650E-01           2.232925E-01
      1.976350E-01           1.356199E-02
      1.089860E-01          -2.894495E-03
      5.321600E-02           2.889479E-03
Fe    S
      1.497690E+08          -2.499184E-07
      2.672250E+07          -6.033367E-07
      5.959000E+06          -1.714026E-06
      1.593610E+06          -4.040379E-06
      4.934640E+05          -9.041239E-06
      1.717900E+05          -1.916995E-05
      6.562090E+04          -4.000594E-05
      2.696560E+04          -8.349108E-05
      1.173530E+04          -1.770532E-04
      5.343430E+03          -3.830627E-04
      2.522500E+03          -8.361335E-04
      1.226430E+03          -1.803028E-03
      6.112690E+02          -3.713337E-03
      3.113080E+02          -7.060540E-03
      1.616240E+02          -1.161964E-02
      8.537670E+01          -1.421996E-02
      4.579110E+01          -6.293242E-03
      2.486770E+01           2.055029E-02
      1.362020E+01           6.959376E-02
      7.481060E+00           8.869390E-02
      4.088170E+00           4.909512E-04
      2.199050E+00          -1.299238E-01
      1.148150E+00          -2.097213E-01
      5.772650E-01          -1.737261E-01
      1.976350E-01           1.060750E-01
      1.089860E-01           4.180125E-01
      5.321600E-02           4.927516E-01
Fe    S
      1.497690E+08          -5.057064E-07
      2.672250E+07          -1.220404E-06
      5.959000E+06          -3.469376E-06
      1.593610E+06          -8.167834E-06
      4.934640E+05          -1.832321E-05
      1.717900E+05          -3.866489E-05
      6.562090E+04          -8.138991E-05
      2.696560E+04          -1.674412E-04
      1.173530E+04          -3.628889E-04
      5.343430E+03          -7.617575E-04
      2.522500E+03          -1.728858E-03
      1.226430E+03          -3.554612E-03
      6.112690E+02          -7.758713E-03
      3.113080E+02          -1.373763E-02
      1.616240E+02          -2.493160E-02
      8.537670E+01          -2.593594E-02
      4.579110E+01          -1.941813E-02
      2.486770E+01           5.554122E-02
      1.362020E+01           1.214082E-01
      7.481060E+00           2.442000E-01
      4.088170E+00          -9.045983E-02
      2.199050E+00          -2.628125E-01
      1.148150E+00          -7.631501E-01
      5.772650E-01           3.326928E-01
      1.976350E-01           1.404621E+00
      1.089860E-01          -4.692165E-02
      5.321600E-02          -5.871979E-01
Fe    S
      1.497690E+08          -8.093468E-07
      2.672250E+07          -1.952950E-06
      5.959000E+06          -5.553066E-06
      1.593610E+06          -1.306815E-05
      4.934640E+05          -2.934013E-05
      1.717900E+05          -6.181847E-05
      6.562090E+04          -1.304882E-04
      2.696560E+04          -2.672449E-04
      1.173530E+04          -5.831799E-04
      5.343430E+03          -1.212784E-03
      2.522500E+03          -2.786404E-03
      1.226430E+03          -5.647232E-03
      6.112690E+02          -1.255431E-02
      3.113080E+02          -2.178032E-02
      1.616240E+02          -4.077901E-02
      8.537670E+01          -4.054708E-02
      4.579110E+01          -3.465794E-02
      2.486770E+01           9.685341E-02
      1.362020E+01           2.002373E-01
      7.481060E+00           4.769334E-01
      4.088170E+00          -2.581863E-01
      2.199050E+00          -9.230158E-01
      1.148150E+00          -9.809175E-01
      5.772650E-01           2.397220E+00
      1.976350E-01           3.264145E-01
      1.089860E-01          -2.193316E+00
      5.321600E-02           3.872588E-01
Fe    S
      1.497690E+08           1.009555E-06
      2.672250E+07           2.438973E-06
      5.959000E+06           6.919803E-06
      1.593610E+06           1.635306E-05
      4.934640E+05           3.641348E-05
      1.717900E+05           7.794704E-05
      6.562090E+04           1.599140E-04
      2.696560E+04           3.433745E-04
      1.173530E+04           6.974589E-04
      5.343430E+03           1.602278E-03
      2.522500E+03           3.239062E-03
      1.226430E+03           7.683257E-03
      6.112690E+02           1.414236E-02
      3.113080E+02           3.109497E-02
      1.616240E+02           4.257946E-02
      8.537670E+01           7.133516E-02
      4.579110E+01           2.183397E-03
      2.486770E+01          -3.611419E-02
      1.362020E+01          -4.667594E-01
      7.481060E+00          -4.745196E-01
      4.088170E+00           3.405478E-01
      2.199050E+00           2.965055E+00
      1.148150E+00          -3.124263E+00
      5.772650E-01          -7.678803E-01
      1.976350E-01           4.549504E+00
      1.089860E-01          -3.555516E+00
      5.321600E-02          -7.601738E-01
Fe    S
      1.497690E+08          -1.171395E-06
      2.672250E+07          -2.828050E-06
      5.959000E+06          -8.033704E-06
      1.593610E+06          -1.894135E-05
      4.934640E+05          -4.237323E-05
      1.717900E+05          -8.991028E-05
      6.562090E+04          -1.874489E-04
      2.696560E+04          -3.920043E-04
      1.173530E+04          -8.294306E-04
      5.343430E+03          -1.802024E-03
      2.522500E+03          -3.921863E-03
      1.226430E+03          -8.517307E-03
      6.112690E+02          -1.752690E-02
      3.113080E+02          -3.380397E-02
      1.616240E+02          -5.606095E-02
      8.537670E+01          -7.105126E-02
      4.579110E+01          -3.324306E-02
      2.486770E+01           1.098520E-01
      1.362020E+01           4.989928E-01
      7.481060E+00           1.180867E+00
      4.088170E+00          -2.682314E+00
      2.199050E+00          -1.995422E+00
      1.148150E+00           8.024293E+00
      5.772650E-01          -7.388690E+00
      1.976350E-01           3.656810E+00
      1.089860E-01           5.149325E-01
      5.321600E-02          -3.554667E+00
Fe    S
      6.622400E+00           1.000000E+00
Fe    S
      2.214000E+00           1.000000E+00
Fe    S
      2.557100E-02           1.000000E+00
Fe    S
      0.0122900              1.0000000
Fe    P
      8.694730E+04           2.100000E-05
      2.125400E+04           6.500000E-05
      6.741140E+03           2.530000E-04
      2.557160E+03           8.630000E-04
      1.093510E+03           2.880000E-03
      5.061610E+02           8.871000E-03
      2.471390E+02           2.510200E-02
      1.254150E+02           6.332100E-02
      6.565120E+01           1.358630E-01
      3.530790E+01           2.327030E-01
      1.942600E+01           3.046360E-01
      1.084380E+01           2.687880E-01
      6.043590E+00           1.273450E-01
      3.302450E+00           2.283300E-02
      1.763890E+00          -1.141000E-03
      9.213860E-01          -2.029000E-03
      4.603730E-01          -8.150000E-04
      1.837720E-01          -5.400000E-05
      7.583300E-02          -2.000000E-06
Fe    P
      8.694730E+04          -7.000000E-06
      2.125400E+04          -2.300000E-05
      6.741140E+03          -8.900000E-05
      2.557160E+03          -3.050000E-04
      1.093510E+03          -1.021000E-03
      5.061610E+02          -3.160000E-03
      2.471390E+02          -9.040000E-03
      1.254150E+02          -2.325300E-02
      6.565120E+01          -5.143700E-02
      3.530790E+01          -9.133900E-02
      1.942600E+01          -1.258840E-01
      1.084380E+01          -1.069500E-01
      6.043590E+00           4.101900E-02
      3.302450E+00           2.708820E-01
      1.763890E+00           4.012450E-01
      9.213860E-01           3.176300E-01
      4.603730E-01           1.157220E-01
      1.837720E-01           1.016500E-02
      7.583300E-02          -1.700000E-04
Fe    P
      8.694730E+04           1.000000E-06
      2.125400E+04           5.000000E-06
      6.741140E+03           1.800000E-05
      2.557160E+03           6.200000E-05
      1.093510E+03           2.060000E-04
      5.061610E+02           6.410000E-04
      2.471390E+02           1.823000E-03
      1.254150E+02           4.724000E-03
      6.565120E+01           1.040000E-02
      3.530790E+01           1.867000E-02
      1.942600E+01           2.558200E-02
      1.084380E+01           2.223100E-02
      6.043590E+00          -1.184000E-02
      3.302450E+00          -6.396100E-02
      1.763890E+00          -1.027460E-01
      9.213860E-01          -8.752100E-02
      4.603730E-01           1.970400E-02
      1.837720E-01           3.183820E-01
      7.583300E-02           5.417010E-01
Fe    P
      8.694730E+04           2.000000E-06
      2.125400E+04           8.000000E-06
      6.741140E+03           3.000000E-05
      2.557160E+03           1.010000E-04
      1.093510E+03           3.450000E-04
      5.061610E+02           1.044000E-03
      2.471390E+02           3.062000E-03
      1.254150E+02           7.685000E-03
      6.565120E+01           1.753200E-02
      3.530790E+01           3.016100E-02
      1.942600E+01           4.422700E-02
      1.084380E+01           3.394600E-02
      6.043590E+00          -1.352500E-02
      3.302450E+00          -1.194880E-01
      1.763890E+00          -1.621650E-01
      9.213860E-01          -1.665290E-01
      4.603730E-01           1.323570E-01
      1.837720E-01           6.424150E-01
      7.583300E-02           3.670330E-01
Fe    P
      8.694730E+04           5.000000E-06
      2.125400E+04           1.600000E-05
      6.741140E+03           6.400000E-05
      2.557160E+03           2.050000E-04
      1.093510E+03           7.420000E-04
      5.061610E+02           2.112000E-03
      2.471390E+02           6.608000E-03
      1.254150E+02           1.552500E-02
      6.565120E+01           3.812900E-02
      3.530790E+01           5.988300E-02
      1.942600E+01           1.016430E-01
      1.084380E+01           6.563800E-02
      6.043590E+00          -8.619000E-03
      3.302450E+00          -3.943080E-01
      1.763890E+00          -4.130690E-01
      9.213860E-01           8.383000E-03
      4.603730E-01           1.195480E+00
      1.837720E-01          -8.571000E-02
      7.583300E-02          -7.319400E-01
Fe    P
      8.694730E+04           7.000000E-06
      2.125400E+04           2.200000E-05
      6.741140E+03           7.500000E-05
      2.557160E+03           2.990000E-04
      1.093510E+03           8.360000E-04
      5.061610E+02           3.150000E-03
      2.471390E+02           7.347000E-03
      1.254150E+02           2.347700E-02
      6.565120E+01           4.108700E-02
      3.530790E+01           9.755200E-02
      1.942600E+01           9.084200E-02
      1.084380E+01           2.145040E-01
      6.043590E+00          -2.163130E-01
      3.302450E+00          -6.998590E-01
      1.763890E+00          -5.724700E-01
      9.213860E-01           2.128303E+00
      4.603730E-01          -6.883840E-01
      1.837720E-01          -1.235466E+00
      7.583300E-02           1.097960E+00
Fe    P
      8.694730E+04           9.000000E-06
      2.125400E+04           2.900000E-05
      6.741140E+03           1.090000E-04
      2.557160E+03           3.970000E-04
      1.093510E+03           1.230000E-03
      5.061610E+02           4.171000E-03
      2.471390E+02           1.095300E-02
      1.254150E+02           3.129800E-02
      6.565120E+01           6.292500E-02
      3.530790E+01           1.287670E-01
      1.942600E+01           1.531790E-01
      1.084380E+01           3.717700E-01
      6.043590E+00          -8.112890E-01
      3.302450E+00          -1.554388E+00
      1.763890E+00           2.844491E+00
      9.213860E-01          -3.331810E-01
      4.603730E-01          -2.070494E+00
      1.837720E-01           2.197026E+00
      7.583300E-02          -1.047747E+00
Fe    P
      1.001280E+01           1.000000E+00
Fe    P
      3.186900E+00           1.000000E+00
Fe    P
      3.109900E-02           1.000000E+00
Fe    P
      0.0127500              1.0000000
Fe    D
      5.184160E+02           1.600000E-04
      1.528190E+02           1.455000E-03
      5.858690E+01           8.031000E-03
      2.545640E+01           2.971400E-02
      1.178680E+01           8.223200E-02
      5.718610E+00           1.721170E-01
      2.824170E+00           2.605020E-01
      1.379850E+00           2.998410E-01
      6.561600E-01           2.711060E-01
      2.996090E-01           1.810280E-01
      1.293610E-01           7.104300E-02
Fe    D
      5.184160E+02          -1.770000E-04
      1.528190E+02          -1.610000E-03
      5.858690E+01          -8.916000E-03
      2.545640E+01          -3.317100E-02
      1.178680E+01          -9.400200E-02
      5.718610E+00          -1.993290E-01
      2.824170E+00          -2.718150E-01
      1.379850E+00          -1.664290E-01
      6.561600E-01           1.583620E-01
      2.996090E-01           4.350360E-01
      1.293610E-01           3.719440E-01
Fe    D
      5.184160E+02          -2.540000E-04
      1.528190E+02          -2.339000E-03
      5.858690E+01          -1.299300E-02
      2.545640E+01          -4.910900E-02
      1.178680E+01          -1.441260E-01
      5.718610E+00          -3.047430E-01
      2.824170E+00          -2.717250E-01
      1.379850E+00           2.521590E-01
      6.561600E-01           6.338040E-01
      2.996090E-01           1.322800E-02
      1.293610E-01          -6.003050E-01
Fe    D
      5.184160E+02          -3.410000E-04
      1.528190E+02          -3.247000E-03
      5.858690E+01          -1.768300E-02
      2.545640E+01          -6.901000E-02
      1.178680E+01          -2.130540E-01
      5.718610E+00          -4.729490E-01
      2.824170E+00           8.417800E-02
      1.379850E+00           1.019310E+00
      6.561600E-01          -3.538990E-01
      2.996090E-01          -8.589280E-01
      1.293610E-01           5.806560E-01
Fe    D
      5.184160E+02          -4.710000E-04
      1.528190E+02          -4.007000E-03
      5.858690E+01          -2.411700E-02
      2.545640E+01          -8.928600E-02
      1.178680E+01          -3.436340E-01
      5.718610E+00          -5.125270E-01
      2.824170E+00           1.246333E+00
      1.379850E+00          -2.830500E-02
      6.561600E-01          -1.483245E+00
      2.996090E-01           1.390922E+00
      1.293610E-01          -1.698910E-01
Fe    D
      7.098200E+00           1.000000E+00
Fe    D
      4.277200E+00           1.000000E+00
Fe    D
      5.115500E-02           1.000000E+00
Fe    D
      0.0202300              1.0000000
Fe    F
      1.104710E+01           1.000000E+00
Fe    F
      4.854100E+00           1.000000E+00
Fe    F
      2.132900E+00           1.000000E+00
Fe    F
      9.372000E-01           1.000000E+00
Fe    F
      3.141000E-01           1.000000E+00
Fe    F
      0.1052700              1.0000000
Fe    G
      7.547500E+00           1.000000E+00
Fe    G
      3.673700E+00           1.000000E+00
Fe    G
      1.788100E+00           1.000000E+00
Fe    G
      6.564000E-01           1.000000E+00
Fe    G
      0.2409600              1.0000000
Fe    H
      6.926300E+00           1.000000E+00
Fe    H
      3.252700E+00           1.000000E+00
Fe    H
      1.296400E+00           1.000000E+00
Fe    H
      0.5166900              1.0000000
Fe    I
      7.056900E+00           1.000000E+00
Fe    I
      1.3776500              1.0000000
end
basis "Co_aug-cc-pwcv5z-dk" 
#basis SET: (220s,137p,59d,6f,5g,4h,3i) -> [12s,11p,9d,6f,5g,4h,3i]
Co    S
      1.61030E+08            1.005831E-05
      2.87558E+07            2.418419E-05
      6.42324E+06            6.846343E-05
      1.72120E+06            0.000160551
 533994.0000000              0.0003573516
 186194.0000000              0.0007524535
  71201.7000000              0.001557729
  29276.2000000              0.003215932
  12742.3000000              0.006731782
   5800.5100000              0.01430107
   2736.9600000              0.03046694
   1329.9900000              0.06307436
    662.6110000              0.1211301
    337.4150000              0.2019129
    175.2340000              0.2621166
     92.6434000              0.2203891
     49.7576000              0.09741493
     27.0728000              0.05139403
     14.8610000              0.08720267
      8.1812100              0.07201628
      4.4794100              0.02033519
      2.4119100              0.001482286
      1.2584400             -3.935072E-05
      0.6312340             -7.063343E-05
      0.2152970             -3.872963E-07
      0.1185100              5.656943E-06
      0.0572090              5.765335E-06
Co    S
      1.61030E+08           -5.289415E-06
      2.87558E+07           -1.271923E-05
      6.42324E+06           -3.601347E-05
      1.72120E+06           -8.448201E-05
 533994.0000000             -0.0001881435
 186194.0000000             -0.0003965136
  71201.7000000             -0.0008220461
  29276.2000000             -0.00170092
  12742.3000000             -0.003573935
   5800.5100000             -0.007640675
   2736.9600000             -0.01646716
   1329.9900000             -0.03483002
    662.6110000             -0.06970371
    337.4150000             -0.1257417
    175.2340000             -0.1900435
     92.6434000             -0.2055906
     49.7576000             -0.08810301
     27.0728000              0.1847425
     14.8610000              0.4644587
      8.1812100              0.3893510
      4.4794100              0.1095439
      2.4119100              0.00749383
      1.2584400             -0.001499069
      0.6312340             -0.0007921508
      0.2152970             -6.025659E-05
      0.1185100              6.137086E-05
      0.0572090              1.596147E-05
Co    S
      1.61030E+08            1.229605E-06
      2.87558E+07            2.957032E-06
      6.42324E+06            8.373552E-06
      1.72120E+06            1.964835E-05
 533994.0000000              4.377266E-05
 186194.0000000              9.232007E-05
  71201.7000000              0.000191559
  29276.2000000              0.0003971299
  12742.3000000              0.0008362892
   5800.5100000              0.001797242
   2736.9600000              0.003901641
   1329.9900000              0.008385303
    662.6110000              0.01722495
    337.4150000              0.03269722
    175.2340000              0.05361657
     92.6434000              0.06544278
     49.7576000              0.02877317
     27.0728000             -0.09285749
     14.8610000             -0.3037701
      8.1812100             -0.3649679
      4.4794100             -0.01614853
      2.4119100              0.4594886
      1.2584400              0.5645161
      0.6312340              0.2219477
      0.2152970              0.01341422
      0.1185100             -0.002819425
      0.0572090              0.002850658
Co    S
      1.61030E+08           -2.623766E-07
      2.87558E+07           -6.309811E-07
      6.42324E+06           -1.786773E-06
      1.72120E+06           -4.192681E-06
 533994.0000000             -9.340377E-06
 186194.0000000             -1.970036E-05
  71201.7000000             -4.087664E-05
  29276.2000000             -8.474813E-05
  12742.3000000             -0.000178474
   5800.5100000             -0.0003835678
   2736.9600000             -0.0008329223
   1329.9900000             -0.001790232
    662.6110000             -0.003680833
    337.4150000             -0.006991583
    175.2340000             -0.0114996
     92.6434000             -0.01407429
     49.7576000             -0.006263082
     27.0728000              0.02044358
     14.8610000              0.06899805
      8.1812100              0.08679416
      4.4794100             -0.0002481641
      2.4119100             -0.1278762
      1.2584400             -0.2042779
      0.6312340             -0.1679982
      0.2152970              0.09731253
      0.1185100              0.4059191
      0.0572090              0.4984338
Co    S
      1.61030E+08           -5.219106E-07
      2.87558E+07           -1.254702E-06
      6.42324E+06           -3.555186E-06
      1.72120E+06           -8.332619E-06
 533994.0000000             -1.860578E-05
 186194.0000000             -3.90719E-05
  71201.7000000             -8.171241E-05
  29276.2000000             -0.0001672056
  12742.3000000             -0.0003592347
   5800.5100000             -0.0007508135
   2736.9600000             -0.001690506
   1329.9900000             -0.003475677
    662.6110000             -0.007545748
    337.4150000             -0.01340552
    175.2340000             -0.02418218
     92.6434000             -0.0253850
     49.7576000             -0.01864738
     27.0728000              0.0535809
     14.8610000              0.1194320
      8.1812100              0.2332153
      4.4794100             -0.08449372
      2.4119100             -0.2635046
      1.2584400             -0.7020055
      0.6312340              0.2829039
      0.2152970              1.2814760
      0.1185100              0.08269332
      0.0572090             -0.5151596
Co    S
      1.61030E+08           -8.836608E-07
      2.87558E+07           -2.124067E-06
      6.42324E+06           -6.020144E-06
      1.72120E+06           -1.410295E-05
 533994.0000000             -3.152172E-05
 186194.0000000             -6.60715E-05
  71201.7000000             -0.0001386482
  29276.2000000             -0.0002821319
  12742.3000000             -0.0006113458
   5800.5100000             -0.001262795
   2736.9600000             -0.002887387
   1329.9900000             -0.005828135
    662.6110000             -0.01295023
    337.4150000             -0.02239885
    175.2340000             -0.04203284
     92.6434000             -0.04150388
     49.7576000             -0.03625394
     27.0728000              0.1006906
     14.8610000              0.2013184
      8.1812100              0.4996169
      4.4794100             -0.2741211
      2.4119100             -0.9585018
      1.2584400             -0.9159533
      0.6312340              2.3009600
      0.2152970              0.4067037
      0.1185100             -2.0722390
      0.0572090              0.2039038
Co    S
      1.61030E+08            1.083962E-06
      2.87558E+07            2.608069E-06
      6.42324E+06            7.378921E-06
      1.72120E+06            1.734385E-05
 533994.0000000              3.851368E-05
 186194.0000000              8.174321E-05
  71201.7000000              0.0001677276
  29276.2000000              0.0003543362
  12742.3000000              0.0007253799
   5800.5100000              0.001622418
   2736.9600000              0.003348887
   1329.9900000              0.007673761
    662.6110000              0.01464827
    337.4150000              0.03072353
    175.2340000              0.0447970
     92.6434000              0.06813346
     49.7576000              0.01080639
     27.0728000             -0.05323183
     14.8610000             -0.4188921
      8.1812100             -0.6190722
      4.4794100              0.5395570
      2.4119100              2.8852480
      1.2584400             -3.2281870
      0.6312340             -0.5981499
      0.2152970              4.2621970
      0.1185100             -3.1973340
      0.0572090             -0.9026527
Co    S
      1.61030E+08            1.244828E-06
      2.87558E+07            2.992113E-06
      6.42324E+06            8.480955E-06
      1.72120E+06            1.986664E-05
 533994.0000000              4.44134E-05
 186194.0000000              9.306556E-05
  71201.7000000              0.0001954644
  29276.2000000              0.0003972354
  12742.3000000              0.0008630873
   5800.5100000              0.001777112
   2736.9600000              0.004087733
   1329.9900000              0.008208135
    662.6110000              0.01845557
    337.4150000              0.0317399
    175.2340000              0.06108727
     92.6434000              0.05970255
     49.7576000              0.05810058
     27.0728000             -0.1582299
     14.8610000             -0.3738525
      8.1812100             -1.5325190
      4.4794100              3.3585990
      2.4119100              1.1755130
      1.2584400             -7.4023150
      0.6312340              7.1300430
      0.2152970             -3.6484700
      0.1185100             -0.3800983
      0.0572090              3.3503540
Co    S
      7.3346000              1.0000000
Co    S
      2.6036000              1.0000000
Co    S
      0.0271660              1.0000000
Co    S
      0.0129000              1.0000000
Co    P
  97512.6000000              0.0000220
  23815.1000000              0.0000660
   7540.4300000              0.0002520
   2854.0800000              0.0008480
   1217.6900000              0.0028130
    562.5150000              0.0086460
    274.2740000              0.0244890
    139.1140000              0.0618950
     72.8598000              0.1332890
     39.2448000              0.2296000
     21.6430000              0.3028860
     12.1149000              0.2711760
      6.7691200              0.1320160
      3.7052800              0.0248220
      1.9790100             -0.0009360
      1.0312700             -0.0020170
      0.5136090             -0.0008300
      0.2044820             -0.0000530
      0.0838700             -0.0000020
Co    P
  97512.6000000             -0.0000080
  23815.1000000             -0.0000230
   7540.4300000             -0.0000900
   2854.0800000             -0.0003030
   1217.6900000             -0.0010070
    562.5150000             -0.0031120
    274.2740000             -0.0089090
    139.1140000             -0.0229590
     72.8598000             -0.0509740
     39.2448000             -0.0910870
     21.6430000             -0.1264160
     12.1149000             -0.1093480
      6.7691200              0.0360560
      3.7052800              0.2668180
      1.9790100              0.4018200
      1.0312700              0.3216300
      0.5136090              0.1188690
      0.2044820              0.0106110
      0.0838700             -0.0002040
Co    P
  97512.6000000              0.0000020
  23815.1000000              0.0000050
   7540.4300000              0.0000200
   2854.0800000              0.0000660
   1217.6900000              0.0002230
    562.5150000              0.0006820
    274.2740000              0.0019780
    139.1140000              0.0050420
     72.8598000              0.0113810
     39.2448000              0.0200420
     21.6430000              0.0287430
     12.1149000              0.0236180
      6.7691200             -0.0094800
      3.7052800             -0.0734850
      1.9790100             -0.1067580
      1.0312700             -0.1068070
      0.5136090              0.0419610
      0.2044820              0.3566630
      0.0838700              0.5236540
Co    P
  97512.6000000              0.0000030
  23815.1000000              0.0000080
   7540.4300000              0.0000320
   2854.0800000              0.0001050
   1217.6900000              0.0003580
    562.5150000              0.0010780
    274.2740000              0.0031740
    139.1140000              0.0079580
     72.8598000              0.0182850
     39.2448000              0.0315250
     21.6430000              0.0468610
     12.1149000              0.0364210
      6.7691200             -0.0118170
      3.7052800             -0.1276830
      1.9790100             -0.1731630
      1.0312700             -0.1635510
      0.5136090              0.1536860
      0.2044820              0.6349130
      0.0838700              0.3577730
Co    P
  97512.6000000              0.0000060
  23815.1000000              0.0000170
   7540.4300000              0.0000670
   2854.0800000              0.0002110
   1217.6900000              0.0007580
    562.5150000              0.0021560
    274.2740000              0.0067440
    139.1140000              0.0158960
     72.8598000              0.0391480
     39.2448000              0.0618960
     21.6430000              0.1055240
     12.1149000              0.0714280
      6.7691200             -0.0044130
      3.7052800             -0.4223150
      1.9790100             -0.4262330
      1.0312700              0.0815560
      0.5136090              1.1466020
      0.2044820             -0.1112240
      0.0838700             -0.7105390
Co    P
  97512.6000000              0.0000070
  23815.1000000              0.0000220
   7540.4300000              0.0000780
   2854.0800000              0.0002990
   1217.6900000              0.0008450
    562.5150000              0.0031230
    274.2740000              0.0074230
    139.1140000              0.0233610
     72.8598000              0.0418220
     39.2448000              0.0975620
     21.6430000              0.0946120
     12.1149000              0.2204310
      6.7691200             -0.2118190
      3.7052800             -0.7588750
      1.9790100             -0.4724910
      1.0312700              2.0963660
      0.5136090             -0.7589120
      0.2044820             -1.1642940
      0.0838700              1.0676890
Co    P
  97512.6000000              0.0000100
  23815.1000000              0.0000310
   7540.4300000              0.0001100
   2854.0800000              0.0004180
   1217.6900000              0.0011970
    562.5150000              0.0043860
    274.2740000              0.0105980
    139.1140000              0.0331430
     72.8598000              0.0606140
     39.2448000              0.1404950
     21.6430000              0.1393730
     12.1149000              0.4499180
      6.7691200             -0.9931010
      3.7052800             -1.4130860
      1.9790100              2.9290650
      1.0312700             -0.6058880
      0.5136090             -1.8335560
      0.2044820              2.0771050
      0.0838700             -0.9947610
Co    P
     11.2264000              1.0000000
Co    P
      3.6309000              1.0000000
Co    P
      0.0341020              1.0000000
Co    P
      0.0138700              1.0000000
Co    D
    545.1100000              0.0001810
    160.5580000              0.0016350
     61.6223000              0.0089410
     26.8224000              0.0327080
     12.4583000              0.0893220
      6.0606600              0.1819660
      2.9951700              0.2666540
      1.4647770              0.2974140
      0.6982420              0.2620050
      0.3200570              0.1719960
      0.1388040              0.0667780
Co    D
    545.1100000             -0.0002090
    160.5580000             -0.0019030
     61.6223000             -0.0104410
     26.8224000             -0.0384790
     12.4583000             -0.1079020
      6.0606600             -0.2222780
      2.9951700             -0.2817040
      1.4647770             -0.1294980
      0.6982420              0.2102160
      0.3200570              0.4320100
      0.1388040              0.3313770
Co    D
    545.1100000              0.0002770
    160.5580000              0.0025550
     61.6223000              0.0139620
     26.8224000              0.0525040
     12.4583000              0.1517350
      6.0606600              0.3163190
      2.9951700              0.2342970
      1.4647770             -0.3302410
      0.6982420             -0.5981010
      0.3200570              0.0737630
      0.1388040              0.5953900
Co    D
    545.1100000             -0.0003850
    160.5580000             -0.0036800
     61.6223000             -0.0196840
     26.8224000             -0.0765810
     12.4583000             -0.2355780
      6.0606600             -0.5047020
      2.9951700              0.2497730
      1.4647770              0.9813720
      0.6982420             -0.5418260
      0.3200570             -0.7166120
      0.1388040              0.6007770
Co    D
    545.1100000             -0.0005830
    160.5580000             -0.0042550
     61.6223000             -0.0289000
     26.8224000             -0.0939660
     12.4583000             -0.4172350
      6.0606600             -0.4197820
      2.9951700              1.4598530
      1.4647770             -0.5170060
      0.6982420             -1.1613150
      0.3200570              1.4364000
      0.1388040             -0.3666040
Co    D
      8.0293000              1.0000000
Co    D
      4.9005000              1.0000000
Co    D
      0.0550170              1.0000000
Co    D
      0.0218100              1.0000000
Co    F
     12.5542000              1.0000000
Co    F
      5.5551000              1.0000000
Co    F
      2.4581000              1.0000000
Co    F
      1.0877000              1.0000000
Co    F
      0.3686000              1.0000000
Co    F
      0.1249100              1.0000000
Co    G
      8.7355000              1.0000000
Co    G
      4.2811000              1.0000000
Co    G
      2.0981000              1.0000000
Co    G
      0.7828000              1.0000000
Co    G
      0.2920600              1.0000000
Co    H
      7.8788000              1.0000000
Co    H
      3.7437000              1.0000000
Co    H
      1.5288000              1.0000000
Co    H
      0.6243100              1.0000000
Co    I
      8.0114000              1.0000000
Co    I
      3.6607000              1.0000000
Co    I
      1.6727100              1.0000000
end
basis "Ni_aug-cc-pwcv5z-dk" 
#basis SET: (220s,137p,59d,6f,5g,4h,3i) -> [12s,11p,9d,6f,5g,4h,3i]
Ni    S
      1.68793E+08            1.11455E-05
      3.01369E+07            2.674566E-05
      6.73075E+06            7.560786E-05
      1.80337E+06            0.0001769323
 559438.0000000              0.0003929173
 195064.0000000              0.0008248052
  74600.7000000              0.001701009
  30681.7000000              0.003494599
  13360.3000000              0.007272797
   6086.1600000              0.01535118
   2874.6200000              0.03249089
   1398.7200000              0.06684987
    697.9810000              0.1276102
    356.1100000              0.2114163
    185.3460000              0.2728573
     98.2221000              0.2286785
     52.8834000              0.09942012
     28.8424000              0.04031309
     15.8664000              0.05927035
      8.7493300              0.04712619
      4.7948200              0.01288533
      2.5812400              0.0008317535
      1.3445000             -7.554855E-05
      0.6723740             -6.85942E-05
      0.2246400              1.366875E-07
      0.1201920             -7.552748E-08
      0.0581540              9.323819E-07
Ni    S
      1.68793E+08           -5.043764E-06
      3.01369E+07           -1.210492E-05
      6.73075E+06           -3.422672E-05
      1.80337E+06           -8.012597E-05
 559438.0000000             -0.000178053
 195064.0000000             -0.0003741491
  74600.7000000             -0.0007729059
  30681.7000000             -0.001591974
  13360.3000000             -0.003327596
   6086.1600000             -0.007074535
   2874.6200000             -0.01517166
   1398.7200000             -0.03197645
    697.9810000             -0.06391677
    356.1100000             -0.1155230
    185.3460000             -0.1756848
     98.2221000             -0.1910176
     52.8834000             -0.07648369
     28.8424000              0.1982116
     15.8664000              0.4740300
      8.7493300              0.3847731
      4.7948200              0.1045997
      2.5812400              0.006103306
      1.3445000             -0.002299311
      0.6723740             -0.001081425
      0.2246400             -7.510386E-05
      0.1201920              4.010015E-05
      0.0581540             -1.281769E-05
Ni    S
      1.68793E+08            1.330912E-06
      3.01369E+07            3.194398E-06
      6.73075E+06            9.033045E-06
      1.80337E+06            2.115166E-05
 559438.0000000              4.70163E-05
 195064.0000000              9.886182E-05
  74600.7000000              0.0002043699
  30681.7000000              0.0004216639
  13360.3000000              0.0008829815
   6086.1600000              0.001885769
   2874.6200000              0.004068372
   1398.7200000              0.00869209
    697.9810000              0.01775274
    356.1100000              0.0334876
    185.3460000              0.05445887
     98.2221000              0.06548033
     52.8834000              0.02662443
     28.8424000             -0.09916549
     15.8664000             -0.3121481
      8.7493300             -0.3590690
      4.7948200              0.002604259
      2.5812400              0.4711867
      1.3445000              0.5527499
      0.6723740              0.2135531
      0.2246400              0.01362464
      0.1201920             -0.003080643
      0.0581540              0.002927857
Ni    S
      1.68793E+08           -2.819239E-07
      3.01369E+07           -6.766625E-07
      6.73075E+06           -1.913452E-06
      1.80337E+06           -4.480559E-06
 559438.0000000             -9.959456E-06
 195064.0000000             -2.094236E-05
  74600.7000000             -4.329337E-05
  30681.7000000             -8.932529E-05
  13360.3000000             -0.0001870752
   6086.1600000             -0.0003995025
   2874.6200000             -0.000862274
   1398.7200000             -0.001842008
    697.9810000             -0.003766607
    356.1100000             -0.0071071
    185.3460000             -0.01159882
     98.2221000             -0.01397056
     52.8834000             -0.005773919
     28.8424000              0.02171281
     15.8664000              0.07030194
      8.7493300              0.08462533
      4.7948200             -0.005047669
      2.5812400             -0.1296901
      1.3445000             -0.2012956
      0.6723740             -0.1582789
      0.2246400              0.1163200
      0.1201920              0.4124561
      0.0581540              0.4807054
Ni    S
      1.68793E+08           -5.758226E-07
      3.01369E+07           -1.38159E-06
      6.73075E+06           -3.909269E-06
      1.80337E+06           -9.14339E-06
 559438.0000000             -2.037045E-05
 195064.0000000             -4.264871E-05
  74600.7000000             -8.886206E-05
  30681.7000000             -0.0001809535
  13360.3000000             -0.0003866838
   6086.1600000             -0.0008027343
   2874.6200000             -0.00179786
   1398.7200000             -0.003669051
    697.9810000             -0.007937377
    356.1100000             -0.01396658
    185.3460000             -0.02511315
     98.2221000             -0.02566644
     52.8834000             -0.01852144
     28.8424000              0.05817027
     15.8664000              0.1236915
      8.7493300              0.2398630
      4.7948200             -0.09725587
      2.5812400             -0.2959249
      1.3445000             -0.6959261
      0.6723740              0.3665478
      0.2246400              1.2213420
      0.1201920              0.04730264
      0.0581540             -0.4820361
Ni    S
      1.68793E+08           -9.674943E-07
      3.01369E+07           -2.321048E-06
      6.73075E+06           -6.56906E-06
      1.80337E+06           -1.535772E-05
 559438.0000000             -3.424501E-05
 195064.0000000             -7.158093E-05
  74600.7000000             -0.0001495874
  30681.7000000             -0.0003031282
  13360.3000000             -0.0006526477
   6086.1600000             -0.00134082
   2874.6200000             -0.003044579
   1398.7200000             -0.006111454
    697.9810000             -0.01350153
    356.1100000             -0.02318684
    185.3460000             -0.04322462
     98.2221000             -0.04171037
     52.8834000             -0.03556996
     28.8424000              0.1066222
     15.8664000              0.2047607
      8.7493300              0.5238749
      4.7948200             -0.3124284
      2.5812400             -1.0563740
      1.3445000             -0.7333535
      0.6723740              2.2736060
      0.2246400              0.1293375
      0.1201920             -1.8379900
      0.0581540              0.2467702
Ni    S
      1.68793E+08            1.219283E-06
      3.01369E+07            2.927075E-06
      6.73075E+06            8.274214E-06
      1.80337E+06            1.938851E-05
 559438.0000000              4.304164E-05
 195064.0000000              9.073844E-05
  74600.7000000              0.0001867539
  30681.7000000              0.000388259
  13360.3000000              0.0008041199
   6086.1600000              0.001745217
   2874.6200000              0.003693127
   1398.7200000              0.008099889
    697.9810000              0.01610158
    356.1100000              0.03171001
    185.3460000              0.04955722
     98.2221000              0.06568098
     52.8834000              0.02018518
     28.8424000             -0.08281828
     15.8664000             -0.3786365
      8.7493300             -0.8691045
      4.7948200              1.0440740
      2.5812400              2.7351460
      1.3445000             -3.8497350
      0.6723740              0.2236010
      0.2246400              3.6624860
      0.1201920             -3.1322300
      0.0581540             -0.5312799
Ni    S
      1.68793E+08            1.322514E-06
      3.01369E+07            3.170046E-06
      6.73075E+06            8.985543E-06
      1.80337E+06            2.094946E-05
 559438.0000000              4.697022E-05
 195064.0000000              9.71579E-05
  74600.7000000              0.0002069702
  30681.7000000              0.0004060092
  13360.3000000              0.0009187785
   6086.1600000              0.001758203
   2874.6200000              0.00438095
   1398.7200000              0.00782895
    697.9810000              0.0199857
    356.1100000              0.02869828
    185.3460000              0.0684648
     98.2221000              0.04130795
     52.8834000              0.09157975
     28.8424000             -0.2333703
     15.8664000             -0.2092151
      8.7493300             -2.0472240
      4.7948200              4.7032490
      2.5812400             -0.8023461
      1.3445000             -5.9141560
      0.6723740              6.7956740
      0.2246400             -4.5843590
      0.1201920              1.1645270
      0.0581540              2.3855290
Ni    S
      8.2138000              1.0000000
Ni    S
      2.9486000              1.0000000
Ni    S
      0.0277230              1.0000000
Ni    S
      0.0132200              1.0000000
Ni    P
 104158.0000000              0.0000240
  25289.1000000              0.0000710
   7974.0600000              0.0002700
   3013.0100000              0.0009000
   1286.4100000              0.0029550
    595.8550000              0.0089790
    291.6560000              0.0251730
    148.5440000              0.0630870
     78.0737000              0.1350930
     42.1478000              0.2320840
     23.2599000              0.3048650
     13.0121000              0.2689810
      7.2639900              0.1273410
      3.9735700              0.0226490
      2.1215600             -0.0014960
      1.1051500             -0.0023130
      0.5499500             -0.0009250
      0.2109760             -0.0000590
      0.0846800              0.0000020
Ni    P
 104158.0000000             -0.0000080
  25289.1000000             -0.0000250
   7974.0600000             -0.0000960
   3013.0100000             -0.0003220
   1286.4100000             -0.0010610
    595.8550000             -0.0032420
    291.6560000             -0.0091870
    148.5440000             -0.0234940
     78.0737000             -0.0518810
     42.1478000             -0.0925700
     23.2599000             -0.1279250
     13.0121000             -0.1071910
      7.2639900              0.0450880
      3.9735700              0.2753100
      2.1215600              0.4006790
      1.1051500              0.3121110
      0.5499500              0.1165030
      0.2109760              0.0109500
      0.0846800             -0.0004560
Ni    P
 104158.0000000              0.0000020
  25289.1000000              0.0000050
   7974.0600000              0.0000200
   3013.0100000              0.0000650
   1286.4100000              0.0002170
    595.8550000              0.0006530
    291.6560000              0.0018820
    148.5440000              0.0047430
     78.0737000              0.0106900
     42.1478000              0.0187080
     23.2599000              0.0268930
     13.0121000              0.0209700
      7.2639900             -0.0104270
      3.9735700             -0.0696820
      2.1215600             -0.0955950
      1.1051500             -0.0977650
      0.5499500              0.0389470
      0.2109760              0.3452550
      0.0846800              0.5265360
Ni    P
 104158.0000000              0.0000040
  25289.1000000              0.0000110
   7974.0600000              0.0000410
   3013.0100000              0.0001340
   1286.4100000              0.0004580
    595.8550000              0.0013370
    291.6560000              0.0039890
    148.5440000              0.0096870
     78.0737000              0.0227420
     42.1478000              0.0378790
     23.2599000              0.0588910
     13.0121000              0.0404660
      7.2639900             -0.0143880
      3.9735700             -0.1788770
      2.1215600             -0.2026780
      1.1051500             -0.1551100
      0.5499500              0.2878760
      0.2109760              0.6314600
      0.0846800              0.2620860
Ni    P
 104158.0000000              0.0000060
  25289.1000000              0.0000190
   7974.0600000              0.0000740
   3013.0100000              0.0002340
   1286.4100000              0.0008290
    595.8550000              0.0023390
    291.6560000              0.0072320
    148.5440000              0.0169390
     78.0737000              0.0414520
     42.1478000              0.0655390
     23.2599000              0.1111980
     13.0121000              0.0751090
      7.2639900             -0.0190020
      3.9735700             -0.4847590
      2.1215600             -0.4090310
      1.1051500              0.2615810
      0.5499500              1.0593320
      0.2109760             -0.3141640
      0.0846800             -0.6289690
Ni    P
 104158.0000000              0.0000080
  25289.1000000              0.0000250
   7974.0600000              0.0000880
   3013.0100000              0.0003320
   1286.4100000              0.0009370
    595.8550000              0.0034100
    291.6560000              0.0080480
    148.5440000              0.0251120
     78.0737000              0.0448180
     42.1478000              0.1038800
     23.2599000              0.1028040
     13.0121000              0.2396150
      7.2639900             -0.2936930
      3.9735700             -0.8582750
      2.1215600             -0.1754300
      1.1051500              2.1212470
      0.5499500             -1.1875640
      0.2109760             -0.8018700
      0.0846800              1.0006810
Ni    P
 104158.0000000              0.0000110
  25289.1000000              0.0000360
   7974.0600000              0.0001210
   3013.0100000              0.0004810
   1286.4100000              0.0012740
    595.8550000              0.0049790
    291.6560000              0.0109720
    148.5440000              0.0371840
     78.0737000              0.0613990
     42.1478000              0.1591110
     23.2599000              0.1374730
     13.0121000              0.5368010
      7.2639900             -1.4484750
      3.9735700             -0.9215800
      2.1215600              3.2225130
      1.1051500             -1.6253210
      0.5499500             -0.9546340
      0.2109760              1.7502800
      0.0846800             -1.0325020
Ni    P
     12.4876000              1.0000000
Ni    P
      4.0560000              1.0000000
Ni    P
      0.0338250              1.0000000
Ni    P
      0.0135100              1.0000000
Ni    D
    606.3219000              0.0001750
    178.0133000              0.0015890
     68.1978800              0.0087470
     29.6844500              0.0322300
     13.8110200              0.0881300
      6.7329400              0.1786790
      3.3339400              0.2602620
      1.6332300              0.2887410
      0.7793770              0.2577120
      0.3572790              0.1830620
      0.1546890              0.0924910
Ni    D
    606.3219000             -0.0001800
    178.0133000             -0.0016390
     68.1978800             -0.0090510
     29.6844500             -0.0335490
     13.8110200             -0.0938500
      6.7329400             -0.1922910
      3.3339400             -0.2488300
      1.6332300             -0.1470970
      0.7793770              0.1116550
      0.3572790              0.3505420
      0.1546890              0.4117870
Ni    D
    606.3219000              0.0002520
    178.0133000              0.0023260
     68.1978800              0.0128210
     29.6844500              0.0482080
     13.8110200              0.1383100
      6.7329400              0.2885600
      3.3339400              0.2632470
      1.6332300             -0.1857870
      0.7793770             -0.5540290
      0.3572790             -0.1971970
      0.1546890              0.4546310
Ni    D
    606.3219000             -0.0003460
    178.0133000             -0.0033530
     68.1978800             -0.0179140
     29.6844500             -0.0703320
     13.8110200             -0.2107640
      6.7329400             -0.4608870
      3.3339400              0.0843710
      1.6332300              0.8568230
      0.7793770             -0.0668550
      0.3572790             -0.7883020
      0.1546890              0.0988680
Ni    D
    606.3219000              0.0004490
    178.0133000              0.0038930
     68.1978800              0.0229740
     29.6844500              0.0841790
     13.8110200              0.3161640
      6.7329400              0.4971100
      3.3339400             -1.0251380
      1.6332300             -0.2645880
      0.7793770              1.3547650
      0.3572790             -0.6768780
      0.1546890             -0.5849220
Ni    D
      8.7417000              1.0000000
Ni    D
      5.1900000              1.0000000
Ni    D
      0.0610440              1.0000000
Ni    D
      0.0240900              1.0000000
Ni    F
     14.0323000              1.0000000
Ni    F
      6.2546000              1.0000000
Ni    F
      2.7879000              1.0000000
Ni    F
      1.2426000              1.0000000
Ni    F
      0.4261000              1.0000000
Ni    F
      0.1461100              1.0000000
Ni    G
     10.1227000              1.0000000
Ni    G
      4.9792000              1.0000000
Ni    G
      2.4492000              1.0000000
Ni    G
      0.9247000              1.0000000
Ni    G
      0.3491200              1.0000000
Ni    H
      8.8642000              1.0000000
Ni    H
      4.2443000              1.0000000
Ni    H
      1.7637000              1.0000000
Ni    H
      0.7329000              1.0000000
Ni    I
      8.9517000              1.0000000
Ni    I
      4.2210000              1.0000000
Ni    I
      1.9903300              1.0000000
end
basis "Cu_aug-cc-pwcv5z-dk" 
#basis SET: (220s,137p,59d,6f,5g,4h,3i) -> [12s,11p,9d,6f,5g,4h,3i]
Cu    S
      1.93188E+08            1.077111E-05
      3.39452E+07            2.625955E-05
      7.51046E+06            7.413449E-05
      2.00199E+06            0.0001734629
 619378.0000000              0.0003840298
 215606.0000000              0.0008032141
  82327.1000000              0.001649225
  33788.4000000              0.003372931
  14670.0000000              0.006989594
   6657.4400000              0.01470704
   3130.2600000              0.03109209
   1515.6100000              0.06402318
    752.5880000              0.1223119
    382.2490000              0.2021016
    198.2370000              0.2578689
    104.8100000              0.2105213
     56.3885000              0.09118179
     30.7830000              0.05811314
     16.9770000              0.09982583
      9.3972500              0.07825785
      5.1723800              0.02124379
      2.7953500              0.001490741
      1.4589000             -8.034167E-05
      0.7287110             -8.694162E-05
      0.2376420             -4.981296E-07
      0.1278210             -2.831761E-07
      0.0618150             -3.684816E-07
Cu    S
      1.93188E+08           -6.055029E-06
      3.39452E+07           -1.476355E-05
      7.51046E+06           -4.168743E-05
      2.00199E+06           -9.757587E-05
 619378.0000000             -0.0002161504
 215606.0000000             -0.0004525034
  82327.1000000             -0.0009305228
  33788.4000000             -0.00190745
  14670.0000000             -0.003968234
   6657.4400000             -0.008403249
   3130.2600000             -0.0179753
   1515.6100000             -0.03781603
    752.5880000             -0.07530726
    382.2490000             -0.1347303
    198.2370000             -0.2004800
    104.8100000             -0.2103662
     56.3885000             -0.08099849
     30.7830000              0.2019008
     16.9770000              0.4684795
      9.3972500              0.3716495
      5.1723800              0.1005149
      2.7953500              0.006557564
      1.4589000             -0.001464478
      0.7287110             -0.0007554723
      0.2376420             -4.298019E-05
      0.1278210              2.008032E-05
      0.0618150             -1.28462E-05
Cu    S
      1.93188E+08            1.365622E-06
      3.39452E+07            3.330013E-06
      7.51046E+06            9.404136E-06
      2.00199E+06            2.201838E-05
 619378.0000000              4.879563E-05
 215606.0000000              0.0001022349
  82327.1000000              0.0002104518
  33788.4000000              0.0004322946
  14670.0000000              0.0009017209
   6657.4400000              0.001920162
   3130.2600000              0.004141411
   1515.6100000              0.008862935
    752.5880000              0.01816551
    382.2490000              0.03433784
    198.2370000              0.05584286
    104.8100000              0.06656064
     56.3885000              0.02553591
     30.7830000             -0.1053112
     16.9770000             -0.3198780
      9.3972500             -0.3556905
      5.1723800              0.01130417
      2.7953500              0.4740647
      1.4589000              0.5533553
      0.7287110              0.2082356
      0.2376420              0.0116683
      0.1278210             -0.002622343
      0.0618150              0.002690526
Cu    S
      1.93188E+08           -2.789768E-07
      3.39452E+07           -6.802742E-07
      7.51046E+06           -1.921131E-06
      2.00199E+06           -4.498099E-06
 619378.0000000             -9.968316E-06
 215606.0000000             -2.088599E-05
  82327.1000000             -4.299405E-05
  33788.4000000             -8.831869E-05
  14670.0000000             -0.0001842403
   6657.4400000             -0.0003923213
   3130.2600000             -0.0008464902
   1515.6100000             -0.001811466
    752.5880000             -0.003717044
    382.2490000             -0.007029216
    198.2370000             -0.01147243
    104.8100000             -0.01370233
     56.3885000             -0.005346494
     30.7830000              0.02228982
     16.9770000              0.06967914
      9.3972500              0.0810406
      5.1723800             -0.007157706
      2.7953500             -0.1263160
      1.4589000             -0.1946258
      0.7287110             -0.1527500
      0.2376420              0.1154243
      0.1278210              0.3991441
      0.0618150              0.4799799
Cu    S
      1.93188E+08            5.256631E-07
      3.39452E+07            1.281398E-06
      7.51046E+06            3.620811E-06
      2.00199E+06            8.468753E-06
 619378.0000000              1.880668E-05
 215606.0000000              3.924933E-05
  82327.1000000              8.137567E-05
  33788.4000000              0.000165174
  14670.0000000              0.000350962
   6657.4400000              0.0007282674
   3130.2600000              0.001625411
   1515.6100000              0.003335832
    752.5880000              0.007208186
    382.2490000              0.01278165
    198.2370000              0.02283162
    104.8100000              0.02334065
     56.3885000              0.01595276
     30.7830000             -0.05434073
     16.9770000             -0.1136366
      9.3972500             -0.2099786
      5.1723800              0.09414343
      2.7953500              0.2422684
      1.4589000              0.6087557
      0.7287110             -0.2343794
      0.2376420             -1.1416750
      0.1278210             -0.1782541
      0.0618150              0.4035479
Cu    S
      1.93188E+08           -1.018537E-06
      3.39452E+07           -2.482537E-06
      7.51046E+06           -7.016568E-06
      2.00199E+06           -1.640376E-05
 619378.0000000             -3.646087E-05
 215606.0000000             -7.596561E-05
  82327.1000000             -0.0001579847
  33788.4000000             -0.0003190542
  14670.0000000             -0.0006832399
   6657.4400000             -0.001402533
   3130.2600000             -0.003175317
   1515.6100000             -0.006406116
    752.5880000             -0.01414823
    382.2490000             -0.02446125
    198.2370000             -0.04539208
    104.8100000             -0.04364678
     56.3885000             -0.03593717
     30.7830000              0.1158014
     16.9770000              0.2189176
      9.3972500              0.5339716
      5.1723800             -0.3667391
      2.7953500             -0.9950360
      1.4589000             -0.7916657
      0.7287110              2.2174050
      0.2376420              0.2946674
      0.1278210             -1.7996860
      0.0618150              0.1028281
Cu    S
      1.93188E+08            1.20746E-06
      3.39452E+07            2.94561E-06
      7.51046E+06            8.312365E-06
      2.00199E+06            1.949021E-05
 619378.0000000              4.307576E-05
 215606.0000000              9.073116E-05
  82327.1000000              0.0001850359
  33788.4000000              0.0003861571
  14670.0000000              0.0007865736
   6657.4400000              0.001732797
   3130.2600000              0.00358064
   1515.6100000              0.008097814
    752.5880000              0.01558648
    382.2490000              0.03216552
    198.2370000              0.04720413
    104.8100000              0.06880884
     56.3885000              0.008728479
     30.7830000             -0.06368039
     16.9770000             -0.4284988
      9.3972500             -0.7491074
      5.1723800              0.9663569
      2.7953500              2.5473610
      1.4589000             -3.3894080
      0.7287110             -0.1558572
      0.2376420              3.8360120
      0.1278210             -3.0972150
      0.0618150             -0.6882707
Cu    S
      1.93188E+08            1.406211E-06
      3.39452E+07            3.425372E-06
      7.51046E+06            9.691645E-06
      2.00199E+06            2.261509E-05
 619378.0000000              5.045662E-05
 215606.0000000              0.0001043775
  82327.1000000              0.0002199608
  33788.4000000              0.0004344424
  14670.0000000              0.0009629595
   6657.4400000              0.001882724
   3130.2600000              0.004546442
   1515.6100000              0.008470707
    752.5880000              0.02070016
    382.2490000              0.03167919
    198.2370000              0.07012152
    104.8100000              0.04923578
     56.3885000              0.08273867
     30.7830000             -0.2216691
     16.9770000             -0.3170282
      9.3972500             -1.9510380
      5.1723800              4.7655350
      2.7953500             -0.8952648
      1.4589000             -5.7607260
      0.7287110              6.4636960
      0.2376420             -4.0960100
      0.1278210              0.7479657
      0.0618150              2.4905270
Cu    S
      9.2493000              1.0000000
Cu    S
      3.2876000              1.0000000
Cu    S
      0.0293030              1.0000000
Cu    S
      0.0138900              1.0000000
Cu    P
 110294.0000000              0.0000260
  26939.1000000              0.0000750
   8550.7100000              0.0002810
   3246.1900000              0.0009180
   1388.4600000              0.0029920
    642.4740000              0.0090870
    313.5700000              0.0255820
    159.1610000              0.0643480
     83.4414000              0.1376450
     45.0196000              0.2349520
     24.8894000              0.3047840
     13.9731000              0.2648080
      7.8257100              0.1241960
      4.2863200              0.0222350
      2.2903400             -0.0009000
      1.1934200             -0.0017820
      0.5937650             -0.0006950
      0.2244380             -0.0000370
      0.0890540             -0.0000010
Cu    P
 110294.0000000             -0.0000090
  26939.1000000             -0.0000270
   8550.7100000             -0.0001020
   3246.1900000             -0.0003340
   1388.4600000             -0.0010910
    642.4740000             -0.0033330
    313.5700000             -0.0094840
    159.1610000             -0.0243520
     83.4414000             -0.0537450
     45.0196000             -0.0953630
     24.8894000             -0.1301120
     13.9731000             -0.1056390
      7.8257100              0.0508120
      4.2863200              0.2812260
      2.2903400              0.4021990
      1.1934200              0.3078070
      0.5937650              0.1096300
      0.2244380              0.0091710
      0.0890540             -0.0004380
Cu    P
 110294.0000000              0.0000020
  26939.1000000              0.0000050
   8550.7100000              0.0000200
   3246.1900000              0.0000650
   1388.4600000              0.0002140
    642.4740000              0.0006440
    313.5700000              0.0018640
    159.1610000              0.0047140
     83.4414000              0.0106300
     45.0196000              0.0184760
     24.8894000              0.0262980
     13.9731000              0.0196530
      7.8257100             -0.0111480
      4.2863200             -0.0686400
      2.2903400             -0.0915680
      1.1934200             -0.0936840
      0.5937650              0.0390660
      0.2244380              0.3402200
      0.0890540              0.5267450
Cu    P
 110294.0000000              0.0000040
  26939.1000000              0.0000100
   8550.7100000              0.0000400
   3246.1900000              0.0001260
   1388.4600000              0.0004320
    642.4740000              0.0012550
    313.5700000              0.0037740
    159.1610000              0.0091680
     83.4414000              0.0216050
     45.0196000              0.0355600
     24.8894000              0.0552330
     13.9731000              0.0354750
      7.8257100             -0.0139680
      4.2863200             -0.1677020
      2.2903400             -0.1792800
      1.1934200             -0.1598730
      0.5937650              0.2578420
      0.2244380              0.6467550
      0.0890540              0.2746030
Cu    P
 110294.0000000              0.0000070
  26939.1000000              0.0000200
   8550.7100000              0.0000790
   3246.1900000              0.0002440
   1388.4600000              0.0008600
    642.4740000              0.0024180
    313.5700000              0.0075320
    159.1610000              0.0176530
     83.4414000              0.0433520
     45.0196000              0.0676910
     24.8894000              0.1152020
     13.9731000              0.0737700
      7.8257100             -0.0230050
      4.2863200             -0.5121360
      2.2903400             -0.3816750
      1.1934200              0.2588690
      0.5937650              1.0576180
      0.2244380             -0.3088970
      0.0890540             -0.6050570
Cu    P
 110294.0000000              0.0000090
  26939.1000000              0.0000260
   8550.7100000              0.0000900
   3246.1900000              0.0003330
   1388.4600000              0.0009350
    642.4740000              0.0033830
    313.5700000              0.0080790
    159.1610000              0.0250980
     83.4414000              0.0451110
     45.0196000              0.1032270
     24.8894000              0.1026140
     13.9731000              0.2345540
      7.8257100             -0.3024320
      4.2863200             -0.8409990
      2.2903400             -0.1611940
      1.1934200              2.0920550
      0.5937650             -1.1789640
      0.2244380             -0.7973400
      0.0890540              1.0105300
Cu    P
 110294.0000000              0.0000120
  26939.1000000              0.0000370
   8550.7100000              0.0001290
   3246.1900000              0.0004600
   1388.4600000              0.0013520
    642.4740000              0.0046720
    313.5700000              0.0117990
    159.1610000              0.0349680
     83.4414000              0.0673370
     45.0196000              0.1440250
     24.8894000              0.1712510
     13.9731000              0.4656640
      7.8257100             -1.3932960
      4.2863200             -0.8568460
      2.2903400              3.0067100
      1.1934200             -1.3521260
      0.5937650             -1.1255820
      0.2244380              1.8070530
      0.0890540             -1.0605300
Cu    P
     14.0287000              1.0000000
Cu    P
      4.5543000              1.0000000
Cu    P
      0.0351590              1.0000000
Cu    P
      0.0138800              1.0000000
Cu    D
    772.5680000              0.0001330
    226.9250000              0.0012050
     87.1443000              0.0067640
     38.2132000              0.0258160
     17.9612000              0.0729480
      8.8561500              0.1564260
      4.4634420              0.2437200
      2.2373760              0.2867800
      1.0986540              0.2689430
      0.5225900              0.1994720
      0.2368530              0.1028820
Cu    D
    772.5680000             -0.0001650
    226.9250000             -0.0014980
     87.1443000             -0.0084440
     38.2132000             -0.0324170
     17.9612000             -0.0938520
      8.8561500             -0.2065660
      4.4634420             -0.2911760
      2.2373760             -0.1807960
      1.0986540              0.1358870
      0.5225900              0.3842560
      0.2368530              0.3645460
Cu    D
    772.5680000              0.0001970
    226.9250000              0.0018220
     87.1443000              0.0102100
     38.2132000              0.0398450
     17.9612000              0.1178100
      8.8561500              0.2756010
      4.4634420              0.2897810
      2.2373760             -0.1939950
      1.0986540             -0.5830370
      0.5225900             -0.1696990
      0.2368530              0.5171400
Cu    D
    772.5680000             -0.0002760
    226.9250000             -0.0027780
     87.1443000             -0.0146190
     38.2132000             -0.0611040
     17.9612000             -0.1818600
      8.8561500             -0.4875970
      4.4634420             -0.0267970
      2.2373760              0.9955180
      1.0986540             -0.0675450
      0.5225900             -0.9273900
      0.2368530              0.2357130
Cu    D
    772.5680000              0.0003980
    226.9250000              0.0033780
     87.1443000              0.0206020
     38.2132000              0.0767260
     17.9612000              0.3059720
      8.8561500              0.6264760
      4.4634420             -1.1729970
      2.2373760             -0.3053710
      1.0986540              1.6280130
      0.5225900             -0.9952610
      0.2368530             -0.4062770
Cu    D
     10.8911000              1.0000000
Cu    D
      6.4090000              1.0000000
Cu    D
      0.0988750              1.0000000
Cu    D
      0.0412800              1.0000000
Cu    F
     16.3865000              1.0000000
Cu    F
      7.2710000              1.0000000
Cu    F
      3.2263000              1.0000000
Cu    F
      1.4316000              1.0000000
Cu    F
      0.4948000              1.0000000
Cu    F
      0.1710200              1.0000000
Cu    G
     11.5271000              1.0000000
Cu    G
      5.7073000              1.0000000
Cu    G
      2.8258000              1.0000000
Cu    G
      1.0876000              1.0000000
Cu    G
      0.4186000              1.0000000
Cu    H
     10.0259000              1.0000000
Cu    H
      4.8506000              1.0000000
Cu    H
      2.0678000              1.0000000
Cu    H
      0.8815000              1.0000000
Cu    I
     10.0254000              1.0000000
Cu    I
      4.8998000              1.0000000
Cu    I
      2.3947200              1.0000000
end
basis "Zn_aug-cc-pwcv5z-dk" 
#basis SET: (220s,137p,59d,6f,5g,4h,3i) -> [12s,11p,9d,6f,5g,4h,3i]
Zn    S
      1.87413E+08            1.32955E-05
      3.35127E+07            3.167949E-05
      7.50475E+06            8.906429E-05
      2.01787E+06            0.0002066572
 628578.0000000              0.0004548837
 220163.0000000              0.0009443108
  84595.2000000              0.00192281
  34955.5000000              0.003891104
  15290.3000000              0.007964529
   6994.9300000              0.01652745
   3316.5900000              0.03446738
   1619.2400000              0.07020339
    810.3430000              0.1334825
    414.3930000              0.2218817
    216.0580000              0.2905487
    114.6350000              0.2514154
     61.7623000              0.1104322
     33.6924000              0.01654259
     18.5315000              0.001175604
     10.2144000              4.394482E-06
      5.5942800              5.086233E-05
      3.0096800             -8.735267E-05
      1.5668400              1.185909E-05
      0.7814370             -1.239493E-05
      0.2581180              4.864255E-06
      0.1385560             -3.929613E-06
      0.0661710              1.707123E-06
Zn    S
      1.87413E+08           -4.189355E-06
      3.35127E+07           -9.983841E-06
      7.50475E+06           -2.807705E-05
      2.01787E+06           -6.51837E-05
 628578.0000000             -0.0001436122
 220163.0000000             -0.0002985641
  84595.2000000             -0.0006093739
  34955.5000000             -0.001237597
  15290.3000000             -0.002548436
   6994.9300000             -0.00534001
   3316.5900000             -0.01133271
   1619.2400000             -0.02381435
    810.3430000             -0.04800837
    414.3930000             -0.0888337
    216.0580000             -0.1410912
    114.6350000             -0.1625539
     61.7623000             -0.06570208
     33.6924000              0.2026356
     18.5315000              0.4792005
     10.2144000              0.3835192
      5.5942800              0.1036154
      3.0096800              0.00913744
      1.5668400              0.001425789
      0.7814370              0.0003278608
      0.2581180              7.459593E-06
      0.1385560              8.4389E-06
      0.0661710             -4.561934E-06
Zn    S
      1.87413E+08            1.587541E-06
      3.35127E+07            3.783451E-06
      7.50475E+06            1.064027E-05
      2.01787E+06            2.470467E-05
 628578.0000000              5.443301E-05
 220163.0000000              0.0001131937
  84595.2000000              0.0002310621
  34955.5000000              0.0004696011
  15290.3000000              0.0009673158
   6994.9300000              0.002030553
   3316.5900000              0.004315288
   1619.2400000              0.009112518
    810.3430000              0.01848399
    414.3930000              0.03473297
    216.0580000              0.05649734
    114.6350000              0.06818806
     61.7623000              0.02848286
     33.6924000             -0.1040963
     18.5315000             -0.3255060
     10.2144000             -0.3639222
      5.5942800              0.0148837
      3.0096800              0.4842177
      1.5668400              0.5547911
      0.7814370              0.1974334
      0.2581180              0.008659206
      0.1385560             -0.002571016
      0.0661710              0.0007635916
Zn    S
      1.87413E+08           -3.216638E-07
      3.35127E+07           -7.665877E-07
      7.50475E+06           -2.155931E-06
      2.01787E+06           -5.00558E-06
 628578.0000000             -1.102973E-05
 220163.0000000             -2.293461E-05
  84595.2000000             -4.682742E-05
  34955.5000000             -9.514057E-05
  15290.3000000             -0.0001961162
   6994.9300000             -0.0004113547
   3316.5900000             -0.000875603
   1619.2400000             -0.001846674
    810.3430000             -0.003757805
    414.3930000             -0.007052919
    216.0580000             -0.01155813
    114.6350000             -0.01392747
     61.7623000             -0.006029029
     33.6924000              0.02223314
     18.5315000              0.0707465
     10.2144000              0.08410092
      5.5942800             -0.009538366
      3.0096800             -0.1293246
      1.5668400             -0.2048438
      0.7814370             -0.1509100
      0.2581180              0.1434650
      0.1385560              0.4156941
      0.0661710              0.4761157
Zn    S
      1.87413E+08            8.970167E-07
      3.35127E+07            2.136911E-06
      7.50475E+06            6.014076E-06
      2.01787E+06            1.394519E-05
 628578.0000000              3.080642E-05
 220163.0000000              6.374807E-05
  84595.2000000              0.0001313128
  34955.5000000              0.0002628654
  15290.3000000              0.0005544613
   6994.9300000              0.001125645
   3316.5900000              0.002501648
   1619.2400000              0.005000885
    810.3430000              0.01087524
    414.3930000              0.01880912
    216.0580000              0.03452653
    114.6350000              0.03443579
     61.7623000              0.02738852
     33.6924000             -0.08427969
     18.5315000             -0.1705452
     10.2144000             -0.3495087
      5.5942800              0.2018431
      3.0096800              0.4776662
      1.5668400              0.8519198
      0.7814370             -0.8356815
      0.2581180             -1.4250480
      0.1385560              0.5713802
      0.0661710              0.5322771
Zn    S
      1.87413E+08           -1.240683E-06
      3.35127E+07           -2.956355E-06
      7.50475E+06           -8.316677E-06
      2.01787E+06           -1.930012E-05
 628578.0000000             -4.256985E-05
 220163.0000000             -8.835662E-05
  84595.2000000             -0.000181025
  34955.5000000             -0.0003657439
  15290.3000000             -0.0007606877
   6994.9300000             -0.001576167
   3316.5900000             -0.003412004
   1619.2400000             -0.00705628
    810.3430000             -0.01474439
    414.3930000             -0.02690687
    216.0580000             -0.04624064
    114.6350000             -0.05234725
     61.7623000             -0.02986905
     33.6924000              0.09875184
     18.5315000              0.2937935
     10.2144000              0.5744894
      5.5942800             -0.4751036
      3.0096800             -1.5175250
      1.5668400              0.09945024
      0.7814370              2.4779920
      0.2581180             -1.6658000
      0.1385560             -0.7478743
      0.0661710              0.9641101
Zn    S
      1.87413E+08            1.626315E-06
      3.35127E+07            3.878098E-06
      7.50475E+06            1.089554E-05
      2.01787E+06            2.534641E-05
 628578.0000000              5.564508E-05
 220163.0000000              0.0001165369
  84595.2000000              0.0002349487
  34955.5000000              0.0004877277
  15290.3000000              0.0009730738
   6994.9300000              0.002138865
   3316.5900000              0.004287427
   1619.2400000              0.009764826
    810.3430000              0.01818025
    414.3930000              0.03845584
    216.0580000              0.05456963
    114.6350000              0.08531694
     61.7623000              0.00837324
     33.6924000             -0.06089183
     18.5315000             -0.5785153
     10.2144000             -1.1032020
      5.5942800              2.2840940
      3.0096800              2.2290710
      1.5668400             -6.1223910
      0.7814370              3.5202910
      0.2581180              1.7479200
      0.1385560             -3.8325180
      0.0661710              1.7443180
Zn    S
      1.87413E+08            1.677404E-06
      3.35127E+07            3.984774E-06
      7.50475E+06            1.126999E-05
      2.01787E+06            2.590042E-05
 628578.0000000              5.822197E-05
 220163.0000000              0.0001165111
  84595.2000000              0.0002549601
  34955.5000000              0.0004596676
  15290.3000000              0.001135424
   6994.9300000              0.001824378
   3316.5900000              0.005462728
   1619.2400000              0.007396035
    810.3430000              0.02556833
    414.3930000              0.0238386
    216.0580000              0.09502993
    114.6350000              0.006923243
     61.7623000              0.1880996
     33.6924000             -0.4031428
     18.5315000             -0.2440123
     10.2144000             -2.6311870
      5.5942800              8.5665470
      3.0096800             -8.5502990
      1.5668400              1.5561710
      0.7814370              3.8758550
      0.2581180             -7.7835480
      0.1385560              7.9747250
      0.0661710             -2.8277670
Zn    S
     10.4638000              1.0000000
Zn    S
      3.9705000              1.0000000
Zn    S
      0.0309860              1.0000000
Zn    S
      0.0145100              1.0000000
Zn    P
 110349.0000000              0.0000290
  26971.3000000              0.0000860
   8560.0700000              0.0003190
   3248.8000000              0.0010420
   1389.4100000              0.0033820
    643.0430000              0.0102180
    314.0050000              0.0285420
    159.4890000              0.0709800
     83.6662000              0.1489460
     45.1574000              0.2476940
     24.9630000              0.3081340
     14.0043000              0.2485630
      7.8326700              0.1053980
      4.2841000              0.0180980
      2.2890100              0.0018050
      1.1943600              0.0005080
      0.5942580              0.0001340
      0.2272730              0.0000180
      0.0901660             -0.0000020
Zn    P
 110349.0000000             -0.0000110
  26971.3000000             -0.0000320
   8560.0700000             -0.0001200
   3248.8000000             -0.0003920
   1389.4100000             -0.0012760
    643.0430000             -0.0038800
    314.0050000             -0.0109680
    159.4890000             -0.0278670
     83.6662000             -0.0604080
     45.1574000             -0.1045170
     24.9630000             -0.1367160
     14.0043000             -0.0949910
      7.8326700              0.0828040
      4.2841000              0.3099380
      2.2890100              0.4014410
      1.1943600              0.2798230
      0.5942580              0.0844380
      0.2272730              0.0057710
      0.0901660             -0.0000180
Zn    P
 110349.0000000              0.0000020
  26971.3000000              0.0000060
   8560.0700000              0.0000220
   3248.8000000              0.0000720
   1389.4100000              0.0002370
    643.0430000              0.0007110
    314.0050000              0.0020410
    159.4890000              0.0051170
     83.6662000              0.0113250
     45.1574000              0.0192410
     24.9630000              0.0262580
     14.0043000              0.0163940
      7.8326700             -0.0177270
      4.2841000             -0.0728180
      2.2890100             -0.0887520
      1.1943600             -0.0839300
      0.5942580              0.0543040
      0.2272730              0.3485410
      0.0901660              0.5191090
Zn    P
 110349.0000000              0.0000040
  26971.3000000              0.0000100
   8560.0700000              0.0000400
   3248.8000000              0.0001270
   1389.4100000              0.0004290
    643.0430000              0.0012540
    314.0050000              0.0037040
    159.4890000              0.0090070
     83.6662000              0.0206180
     45.1574000              0.0335950
     24.9630000              0.0492430
     14.0043000              0.0268980
      7.8326700             -0.0259740
      4.2841000             -0.1537760
      2.2890100             -0.1514190
      1.1943600             -0.1407890
      0.5942580              0.2265360
      0.2272730              0.6573710
      0.0901660              0.2855030
Zn    P
 110349.0000000             -0.0000080
  26971.3000000             -0.0000230
   8560.0700000             -0.0000890
   3248.8000000             -0.0002780
   1389.4100000             -0.0009650
    643.0430000             -0.0027350
    314.0050000             -0.0083440
    159.4890000             -0.0196410
     83.6662000             -0.0466850
     45.1574000             -0.0724680
     24.9630000             -0.1171690
     14.0043000             -0.0661700
      7.8326700              0.0672210
      4.2841000              0.5455140
      2.2890100              0.2986520
      1.1943600             -0.3006940
      0.5942580             -1.0330560
      0.2272730              0.3363690
      0.0901660              0.5663970
Zn    P
 110349.0000000              0.0000100
  26971.3000000              0.0000290
   8560.0700000              0.0001020
   3248.8000000              0.0003700
   1389.4100000              0.0010620
    643.0430000              0.0037250
    314.0050000              0.0090710
    159.4890000              0.0271760
     83.6662000              0.0492880
     45.1574000              0.1068350
     24.9630000              0.1107210
     14.0043000              0.2171670
      7.8326700             -0.3921410
      4.2841000             -0.8336390
      2.2890100              0.0643050
      1.1943600              1.9844580
      0.5942580             -1.3037680
      0.2272730             -0.6698580
      0.0901660              0.9791770
Zn    P
 110349.0000000              0.0000140
  26971.3000000              0.0000380
   8560.0700000              0.0001520
   3248.8000000              0.0004590
   1389.4100000              0.0016600
    643.0430000              0.0045180
    314.0050000              0.0145030
    159.4890000              0.0328420
     83.6662000              0.0828600
     45.1574000              0.1181970
     24.9630000              0.2543090
     14.0043000              0.2760680
      7.8326700             -1.4206840
      4.2841000             -0.5341910
      2.2890100              2.8985470
      1.1943600             -1.5851120
      0.5942580             -0.9388230
      0.2272730              1.8070550
      0.0901660             -1.1246340
Zn    P
     15.0735000              1.0000000
Zn    P
      4.7557000              1.0000000
Zn    P
      0.0356510              1.0000000
Zn    P
      0.0141000              1.0000000
Zn    D
    926.9627000              0.0001140
    270.1065000              0.0010450
    102.9159000              0.0060400
     44.8868000              0.0238440
     21.0709200              0.0688060
     10.4233800              0.1498840
      5.3068920              0.2374320
      2.7032700              0.2844710
      1.3536570              0.2718060
      0.6588680              0.2029220
      0.3075040              0.1027770
Zn    D
    926.9627000              0.0001590
    270.1065000              0.0014620
    102.9159000              0.0084850
     44.8868000              0.0337380
     21.0709200              0.0998900
     10.4233800              0.2254390
      5.3068920              0.3226860
      2.7032700              0.1867430
      1.3536570             -0.1836600
      0.6588680             -0.4166810
      0.3075040             -0.3112890
Zn    D
    926.9627000              0.0001770
    270.1065000              0.0016750
    102.9159000              0.0096030
     44.8868000              0.0389100
     21.0709200              0.1173870
     10.4233800              0.2969250
      5.3068920              0.2963580
      2.7032700             -0.3097160
      1.3536570             -0.5814690
      0.6588680             -0.0557460
      0.3075040              0.5580510
Zn    D
    926.9627000             -0.0002180
    270.1065000             -0.0022710
    102.9159000             -0.0120740
     44.8868000             -0.0531800
     21.0709200             -0.1581770
     10.4233800             -0.4540890
      5.3068920             -0.0494540
      2.7032700              0.9554020
      1.3536570             -0.0124550
      0.6588680             -1.0231310
      0.3075040              0.2646770
Zn    D
    926.9627000              0.0003280
    270.1065000              0.0028660
    102.9159000              0.0177090
     44.8868000              0.0688210
     21.0709200              0.2715290
     10.4233800              0.6502930
      5.3068920             -1.0108450
      2.7032700             -0.5947150
      1.3536570              1.7472200
      0.6588680             -0.8204530
      0.3075040             -0.6823180
Zn    D
     11.6620000              1.0000000
Zn    D
      7.2916000              1.0000000
Zn    D
      0.1332210              1.0000000
Zn    D
      0.0577200              1.0000000
Zn    F
     17.7978000              1.0000000
Zn    F
      7.9981000              1.0000000
Zn    F
      3.5942000              1.0000000
Zn    F
      1.6152000              1.0000000
Zn    F
      0.5673000              1.0000000
Zn    F
      0.1992500              1.0000000
Zn    G
     12.8657000              1.0000000
Zn    G
      6.4248000              1.0000000
Zn    G
      3.2084000              1.0000000
Zn    G
      1.2524000              1.0000000
Zn    G
      0.4888700              1.0000000
Zn    H
     11.1996000              1.0000000
Zn    H
      5.4804000              1.0000000
Zn    H
      2.3903000              1.0000000
Zn    H
      1.0425400              1.0000000
Zn    I
     11.0549000              1.0000000
Zn    I
      5.6334000              1.0000000
Zn    I
      2.8706900              1.0000000
end
