# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# cc-pVDZ-DK version number 0
# Description: VDZP Douglas-Kroll Valence Double Zeta + Polarization
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  H,B-Ne
#      TODO
#          dunning1989a jong2001a
# 
#  He
#      TODO
#          woon1994a jong2001a
# 
#  Li,Be,Na,Mg
#      TODO
#          prascher2011a jong2001a
# 
#  Al-Ar
#      TODO
#          woon1993a jong2001a
# 
#  Sc-Zn
#      TODO
#          balabanov2005a balabanov2006a
# 
#  Ga-Kr
#      TODO
#          wilson1999a jong2001a
# 
# 
# 
# balabanov2005a
#     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
# 
# balabanov2006a
#     Balabanov, Nikolai B., Peterson, Kirk A.
#     Basis set limit electronic excitation energies, ionization potentials,
#             and electron affinities for the 3d transition metal atoms:
#             Coupled cluster and multireference methods
#     J. Chem. Phys. 125, 074110 (2006)
#     10.1063/1.2335444
# 
# dunning1989a
#     Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. I.
#             The atoms boron through neon and hydrogen
#     J. Chem. Phys. 90, 1007-1023 (1989)
#     10.1063/1.456153
# 
# jong2001a
#     de Jong, W. A, Harrison, R. J., Dixon, D. A.
#     Parallel Douglas-Kroll energy and gradients in NWChem: Estimating
#             scalar relativistic effects using Douglas-Kroll contracted
#             basis sets
#     J. Chem. Phys. 114, 48 (2001)
#     10.1063/1.1329891
# 
# prascher2011a
#     Prascher, Brian P., Woon, David E., Peterson, Kirk A., Dunning, Thom
#             H., Wilson, Angela K.
#     Gaussian basis sets for use in correlated molecular calculations. VII.
#             Valence, core-valence, and scalar relativistic basis sets for
#             Li, Be, Na, and Mg
#     Theor. Chem. Acc. 128, 69-82 (2011)
#     10.1007/s00214-010-0764-0
# 
# wilson1999a
#     Wilson, Angela K., Woon, David E., Peterson, Kirk A., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IX.
#             The atoms gallium through krypton
#     J. Chem. Phys. 110, 7667-7676 (1999)
#     10.1063/1.478678
# 
# woon1993a
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. III.
#             The atoms aluminum through argon
#     J. Chem. Phys. 98, 1358-1371 (1993)
#     10.1063/1.464303
# 
# woon1994a
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. IV.
#             Calculation of static electrical response properties
#     J. Chem. Phys. 100, 2975-2988 (1994)
#     10.1063/1.466439
# 
# # 
basis "H_cc-pVDZ-DK" SPHERICAL 
#basis SET: (4s,1p) -> [2s,1p]
H    S
     13.0100000              0.0196977
      1.9620000              0.1379911
      0.4446000              0.4781418
H    S
      0.1220000              1.0000000
H    P
      0.7270000              1.0000000
end
basis "He_cc-pVDZ-DK" SPHERICAL 
#basis SET: (4s,1p) -> [2s,1p]
He    S
     38.3600000              0.0238545
      5.7700000              0.1549249
      1.2400000              0.4699567
He    S
      0.2976000              1.0000000
He    P
      1.2750000              1.0000000
end
basis "Li_cc-pVDZ-DK" SPHERICAL 
#basis SET: (17s,4p,1d) -> [3s,2p,1d]
Li    S
   1469.0000000              0.0008088
    220.5000000              0.0059351
     50.2600000              0.0297426
     14.2400000              0.1092518
      4.5810000              0.2828208
      1.5800000              0.4530721
      0.5640000              0.2747044
      0.0734500              0.0097522
Li    S
   1469.0000000             -0.0001265
    220.5000000             -0.0009296
     50.2600000             -0.0047009
     14.2400000             -0.0176977
      4.5810000             -0.0489110
      1.5800000             -0.0960241
      0.5640000             -0.1363226
      0.0734500              0.5752286
Li    S
      0.0280500              1.0000000
Li    P
      1.5340000              0.0227857
      0.2749000              0.1391025
      0.0736200              0.5003752
Li    P
      0.0240300              1.0000000
Li    D
      0.1239000              1.0000000
end
basis "Be_cc-pVDZ-DK" SPHERICAL 
#basis SET: (17s,4p,1d) -> [3s,2p,1d]
Be    S
   2940.0000000              0.0007540
    441.2000000              0.0053133
    100.5000000              0.0267325
     28.4300000              0.1001318
      9.1690000              0.2697812
      3.1960000              0.4513833
      1.1590000              0.2949205
      0.1811000              0.0125867
Be    S
   2940.0000000             -0.0001366
    441.2000000             -0.0009801
    100.5000000             -0.0048561
     28.4300000             -0.0193487
      9.1690000             -0.0533058
      3.1960000             -0.1207608
      1.1590000             -0.1332909
      0.1811000              0.5309727
Be    S
      0.0589000              1.0000000
Be    P
      3.6190000              0.0291050
      0.7110000              0.1694665
      0.1951000              0.5129691
Be    P
      0.0601800              1.0000000
Be    D
      0.2380000              1.0000000
end
basis "B_cc-pVDZ-DK" SPHERICAL 
#basis SET: (17s,4p,1d) -> [3s,2p,1d]
B    S
   4570.0000000              0.0008100
    685.9000000              0.0054774
    156.5000000              0.0273355
     44.4700000              0.1016067
     14.4800000              0.2721905
      5.1310000              0.4482545
      1.8980000              0.2898816
      0.3329000              0.0143047
B    S
   4570.0000000             -0.0001625
    685.9000000             -0.0011233
    156.5000000             -0.0054882
     44.4700000             -0.0219811
     14.4800000             -0.0598059
      5.1310000             -0.1388011
      1.8980000             -0.1312193
      0.3329000              0.5399343
B    S
      0.1043000              1.0000000
B    P
      6.0010000              0.0355071
      1.2410000              0.1980586
      0.3364000              0.5051304
B    P
      0.0953800              1.0000000
B    D
      0.3430000              1.0000000
end
basis "C_cc-pVDZ-DK" SPHERICAL 
#basis SET: (17s,4p,1d) -> [3s,2p,1d]
C    S
   6665.0000000              0.0008517
   1000.0000000              0.0055121
    228.0000000              0.0273690
     64.7100000              0.1020568
     21.0600000              0.2749479
      7.4950000              0.4483409
      2.7970000              0.2847131
      0.5215000              0.0151750
C    S
   6665.0000000             -0.0001803
   1000.0000000             -0.0011949
    228.0000000             -0.0057943
     64.7100000             -0.0234166
     21.0600000             -0.0640500
      7.4950000             -0.1500919
      2.7970000             -0.1268376
      0.5215000              0.5451602
C    S
      0.1596000              1.0000000
C    P
      9.4390000              0.0381635
      2.0020000              0.2094925
      0.5456000              0.5084477
C    P
      0.1517000              1.0000000
C    D
      0.5500000              1.0000000
end
basis "N_cc-pVDZ-DK" SPHERICAL 
#basis SET: (17s,4p,1d) -> [3s,2p,1d]
N    S
   9046.0000000              0.0009106
   1357.0000000              0.0056444
    309.3000000              0.0278072
     87.7300000              0.1036805
     28.5600000              0.2790142
     10.2100000              0.4482216
      3.8380000              0.2777373
      0.7466000              0.0153993
N    S
   9046.0000000             -0.0001995
   1357.0000000             -0.0012669
    309.3000000             -0.0060906
     87.7300000             -0.0246970
     28.5600000             -0.0676028
     10.2100000             -0.1582335
      3.8380000             -0.1212060
      0.7466000              0.5498871
N    S
      0.2248000              1.0000000
N    P
     13.5500000              0.0400103
      2.9170000              0.2172132
      0.7973000              0.5101907
N    P
      0.2185000              1.0000000
N    D
      0.8170000              1.0000000
end
basis "O_cc-pVDZ-DK" SPHERICAL 
#basis SET: (17s,4p,1d) -> [3s,2p,1d]
O    S
  11720.0000000              0.0009775
   1759.0000000              0.0058106
    400.8000000              0.0283649
    113.7000000              0.1054311
     37.0300000              0.2834470
     13.2700000              0.4482844
      5.0250000              0.2702944
      1.0130000              0.0154031
O    S
  11720.0000000             -0.0002206
   1759.0000000             -0.0013435
    400.8000000             -0.0064010
    113.7000000             -0.0259275
     37.0300000             -0.0711286
     13.2700000             -0.1656153
      5.0250000             -0.1160807
      1.0130000              0.5585241
O    S
      0.3023000              1.0000000
O    P
     17.7000000              0.0431553
      3.8540000              0.2289863
      1.0460000              0.5086083
O    P
      0.2753000              1.0000000
O    D
      1.1850000              1.0000000
end
basis "F_cc-pVDZ-DK" SPHERICAL 
#basis SET: (17s,4p,1d) -> [3s,2p,1d]
F    S
  14710.0000000              0.0010485
   2207.0000000              0.0059913
    502.8000000              0.0289399
    142.6000000              0.1072562
     46.4700000              0.2873039
     16.7000000              0.4480684
      6.3560000              0.2639263
      1.3160000              0.0152658
F    S
  14710.0000000             -0.0002416
   2207.0000000             -0.0014140
    502.8000000             -0.0066702
    142.6000000             -0.0269705
     46.4700000             -0.0739670
     16.7000000             -0.1710341
      6.3560000             -0.1111695
      1.3160000              0.5643084
F    S
      0.3897000              1.0000000
F    P
     22.6700000              0.0450688
      4.9770000              0.2358286
      1.3470000              0.5083765
F    P
      0.3471000              1.0000000
F    D
      1.6400000              1.0000000
end
basis "Ne_cc-pVDZ-DK" SPHERICAL 
#basis SET: (17s,4p,1d) -> [3s,2p,1d]
Ne    S
  17880.0000000              0.0011307
   2683.0000000              0.0062267
    611.5000000              0.0297204
    173.5000000              0.1095553
     56.6400000              0.2915077
     20.4200000              0.4475884
      7.8100000              0.2570002
      1.6530000              0.0149818
Ne    S
  17880.0000000             -0.0002646
   2683.0000000             -0.0014920
    611.5000000             -0.0069592
    173.5000000             -0.0280213
     56.6400000             -0.0765658
     20.4200000             -0.1755371
      7.8100000             -0.1055539
      1.6530000              0.5688922
Ne    S
      0.4869000              1.0000000
Ne    P
     28.3900000              0.0463396
      6.2700000              0.2403369
      1.6950000              0.5085722
Ne    P
      0.4317000              1.0000000
Ne    D
      2.2020000              1.0000000
end
basis "Na_cc-pVDZ-DK" SPHERICAL 
#basis SET: (34s,15p,1d) -> [4s,3p,1d]
Na    S
  31700.0000000              0.0008311
   4755.0000000              0.0041340
   1082.0000000              0.0191397
    306.4000000              0.0728293
     99.5300000              0.2133784
     35.4200000              0.4159265
     13.3000000              0.3715352
      4.3920000              0.0621051
      1.6760000             -0.0061919
      0.5889000              0.0024142
      0.0564000             -0.0004383
Na    S
  31700.0000000             -0.0002038
   4755.0000000             -0.0010156
   1082.0000000             -0.0047499
    306.4000000             -0.0185222
     99.5300000             -0.0585794
     35.4200000             -0.1380784
     13.3000000             -0.1930778
      4.3920000              0.0879880
      1.6760000              0.6050688
      0.5889000              0.4394039
      0.0564000              0.0128079
Na    S
  31700.0000000              0.0000309
   4755.0000000              0.0001529
   1082.0000000              0.0007238
    306.4000000              0.0027815
     99.5300000              0.0090308
     35.4200000              0.0208612
     13.3000000              0.0317768
      4.3920000             -0.0194200
      1.6760000             -0.1031810
      0.5889000             -0.1979506
      0.0564000              0.6591622
Na    S
      0.0230700              1.0000000
Na    P
    138.1000000              0.0059396
     32.2400000              0.0418154
      9.9850000              0.1631422
      3.4840000              0.3593556
      1.2310000              0.4497397
      0.4177000              0.2275315
      0.0651300              0.0081254
Na    P
    138.1000000             -0.0005957
     32.2400000             -0.0040976
      9.9850000             -0.0168211
      3.4840000             -0.0353193
      1.2310000             -0.0521735
      0.4177000             -0.0168239
      0.0651300              0.4346322
Na    P
      0.0205300              1.0000000
Na    D
      0.0973000              1.0000000
end
basis "Mg_cc-pVDZ-DK" SPHERICAL 
#basis SET: (34s,15p,1d) -> [4s,3p,1d]
Mg    S
  47390.0000000              0.0007178
   7108.0000000              0.0033145
   1618.0000000              0.0147967
    458.4000000              0.0564860
    149.3000000              0.1710009
     53.5900000              0.3648575
     20.7000000              0.4052922
      8.3840000              0.1341815
      2.5420000              0.0048781
      0.8787000              0.0002821
      0.1077000              0.0000277
Mg    S
  47390.0000000             -0.0001825
   7108.0000000             -0.0008391
   1618.0000000             -0.0038204
    458.4000000             -0.0146306
    149.3000000             -0.0482828
     53.5900000             -0.1154055
     20.7000000             -0.2004640
      8.3840000             -0.0317073
      2.5420000              0.5725837
      0.8787000              0.5391743
      0.1077000              0.0214564
Mg    S
  47390.0000000              0.0000352
   7108.0000000              0.0001616
   1618.0000000              0.0007401
    458.4000000              0.0028164
    149.3000000              0.0094299
     53.5900000              0.0224423
     20.7000000              0.0410435
      8.3840000              0.0050180
      2.5420000             -0.1350467
      0.8787000             -0.2547294
      0.1077000              0.6092437
Mg    S
      0.0399900              1.0000000
Mg    P
    179.9000000              0.0055546
     42.1400000              0.0395455
     13.1300000              0.1578179
      4.6280000              0.3585344
      1.6700000              0.4569075
      0.5857000              0.2158495
      0.1311000              0.0067001
Mg    P
    179.9000000             -0.0008908
     42.1400000             -0.0061865
     13.1300000             -0.0261337
      4.6280000             -0.0568221
      1.6700000             -0.0871624
      0.5857000             -0.0121730
      0.1311000              0.4982604
Mg    P
      0.0411200              1.0000000
Mg    D
      0.1870000              1.0000000
end
basis "Al_cc-pVDZ-DK" SPHERICAL 
#basis SET: (34s,15p,1d) -> [4s,3p,1d]
Al    S
  64150.0000000              0.0006736
   9617.0000000              0.0029457
   2189.0000000              0.0127173
    620.5000000              0.0482122
    202.7000000              0.1479148
     73.1500000              0.3307763
     28.5500000              0.4142651
     11.7700000              0.1878554
      3.3000000              0.0114868
      1.1730000             -0.0012718
      0.1752000              0.0004225
Al    S
  64150.0000000             -0.0001763
   9617.0000000             -0.0007667
   2189.0000000             -0.0033824
    620.5000000             -0.0127779
    202.7000000             -0.0426908
     73.1500000             -0.1039923
     28.5500000             -0.1964148
     11.7700000             -0.0801420
      3.3000000              0.5440095
      1.1730000              0.5750364
      0.1752000              0.0282815
Al    S
  64150.0000000              0.0000407
   9617.0000000              0.0001769
   2189.0000000              0.0007821
    620.5000000              0.0029518
    202.7000000              0.0099318
     73.1500000              0.0243442
     28.5500000              0.0474816
     11.7700000              0.0197081
      3.3000000             -0.1602974
      1.1730000             -0.3096187
      0.1752000              0.6239180
Al    S
      0.0647300              1.0000000
Al    P
    258.8000000              0.0042537
     60.8900000              0.0310267
     19.1400000              0.1296450
      6.8810000              0.3209730
      2.5740000              0.4534894
      0.9572000              0.2747866
      0.2099000              0.0191205
Al    P
    258.8000000             -0.0007811
     60.8900000             -0.0055179
     19.1400000             -0.0246142
      6.8810000             -0.0581875
      2.5740000             -0.0982407
      0.9572000             -0.0258070
      0.2099000              0.4633873
Al    P
      0.0598600              1.0000000
Al    D
      0.1890000              1.0000000
end
basis "Si_cc-pVDZ-DK" SPHERICAL 
#basis SET: (34s,15p,1d) -> [4s,3p,1d]
Si    S
  78860.0000000              0.0006815
  11820.0000000              0.0028736
   2692.0000000              0.0120698
    763.4000000              0.0453586
    249.6000000              0.1395458
     90.2800000              0.3173537
     35.2900000              0.4168447
     14.5100000              0.2084412
      4.0530000              0.0143428
      1.4820000             -0.0020126
      0.2517000              0.0006174
Si    S
  78860.0000000             -0.0001827
  11820.0000000             -0.0007666
   2692.0000000             -0.0032882
    763.4000000             -0.0123094
    249.6000000             -0.0411277
     90.2800000             -0.1013628
     35.2900000             -0.1967629
     14.5100000             -0.0990262
      4.0530000              0.5309218
      1.4820000              0.5887603
      0.2517000              0.0325794
Si    S
  78860.0000000              0.0000468
  11820.0000000              0.0001964
   2692.0000000              0.0008420
    763.4000000              0.0031628
    249.6000000              0.0105819
     90.2800000              0.0264728
     35.2900000              0.0524161
     14.5100000              0.0282323
      4.0530000             -0.1800982
      1.4820000             -0.3441170
      0.2517000              0.6275986
Si    S
      0.0924300              1.0000000
Si    P
    315.9000000              0.0041444
     74.4200000              0.0302971
     23.4800000              0.1278303
      8.4880000              0.3211623
      3.2170000              0.4550327
      1.2290000              0.2681699
      0.2964000              0.0188480
Si    P
    315.9000000             -0.0009048
     74.4200000             -0.0063916
     23.4800000             -0.0289531
      8.4880000             -0.0694552
      3.2170000             -0.1193365
      1.2290000             -0.0196342
      0.2964000              0.5098641
Si    P
      0.0876800              1.0000000
Si    D
      0.2750000              1.0000000
end
basis "P_cc-pVDZ-DK" SPHERICAL 
#basis SET: (34s,15p,1d) -> [4s,3p,1d]
P    S
  94840.0000000              0.0006956
  14220.0000000              0.0028421
   3236.0000000              0.0116561
    917.1000000              0.0433935
    299.5000000              0.1341765
    108.1000000              0.3095842
     42.1800000              0.4187323
     17.2800000              0.2207409
      4.8580000              0.0162017
      1.8180000             -0.0025086
      0.3372000              0.0007383
P    S
  94840.0000000             -0.0001903
  14220.0000000             -0.0007743
   3236.0000000             -0.0032408
    917.1000000             -0.0120211
    299.5000000             -0.0402672
    108.1000000             -0.1005414
     42.1800000             -0.1983197
     17.2800000             -0.1109545
      4.8580000              0.5231147
      1.8180000              0.5965584
      0.3372000              0.0360259
P    S
  94840.0000000              0.0000523
  14220.0000000              0.0002129
   3236.0000000              0.0008890
    917.1000000              0.0033187
    299.5000000              0.0110884
    108.1000000              0.0282751
     42.1800000              0.0564463
     17.2800000              0.0347289
      4.8580000             -0.1961133
      1.8180000             -0.3685818
      0.3372000              0.6296116
P    S
      0.1232000              1.0000000
P    P
    370.5000000              0.0042075
     87.3300000              0.0307497
     27.5900000              0.1303114
     10.0000000              0.3278826
      3.8250000              0.4565077
      1.4940000              0.2525705
      0.3921000              0.0168823
P    P
    370.5000000             -0.0010213
     87.3300000             -0.0072319
     27.5900000             -0.0328950
     10.0000000             -0.0796019
      3.8250000             -0.1348259
      1.4940000             -0.0086235
      0.3921000              0.5375353
P    P
      0.1186000              1.0000000
P    D
      0.3730000              1.0000000
end
basis "S_cc-pVDZ-DK" SPHERICAL 
#basis SET: (34s,15p,1d) -> [4s,3p,1d]
S    S
 110800.0000000              0.0007215
  16610.0000000              0.0028720
   3781.0000000              0.0115194
   1071.0000000              0.0424617
    349.8000000              0.1311104
    126.3000000              0.3046040
     49.2600000              0.4193121
     20.1600000              0.2282718
      5.7200000              0.0176436
      2.1820000             -0.0029299
      0.4327000              0.0008367
S    S
 110800.0000000             -0.0002010
  16610.0000000             -0.0007969
   3781.0000000             -0.0032599
   1071.0000000             -0.0119806
    349.8000000             -0.0400080
    126.3000000             -0.1005679
     49.2600000             -0.2001709
     20.1600000             -0.1188477
      5.7200000              0.5185418
      2.1820000              0.6009686
      0.4327000              0.0386850
S    S
 110800.0000000              0.0000583
  16610.0000000              0.0002317
   3781.0000000              0.0009442
   1071.0000000              0.0035003
    349.8000000              0.0116247
    126.3000000              0.0299867
     49.2600000              0.0600636
     20.1600000              0.0399813
      5.7200000             -0.2109019
      2.1820000             -0.3885008
      0.4327000              0.6389962
S    S
      0.1570000              1.0000000
S    P
    399.7000000              0.0047937
     94.1900000              0.0347928
     29.7500000              0.1451669
     10.7700000              0.3542203
      4.1190000              0.4584235
      1.6250000              0.2058117
      0.4726000              0.0102234
S    P
    399.7000000             -0.0012442
     94.1900000             -0.0088187
     29.7500000             -0.0393306
     10.7700000             -0.0934934
      4.1190000             -0.1477061
      1.6250000              0.0308319
      0.4726000              0.5613096
S    P
      0.1407000              1.0000000
S    D
      0.4790000              1.0000000
end
basis "Cl_cc-pVDZ-DK" SPHERICAL 
#basis SET: (34s,15p,1d) -> [4s,3p,1d]
Cl    S
 127900.0000000              0.0007497
  19170.0000000              0.0029170
   4363.0000000              0.0114534
   1236.0000000              0.0417491
    403.6000000              0.1287741
    145.7000000              0.3006785
     56.8100000              0.4195476
     23.2300000              0.2342971
      6.6440000              0.0188435
      2.5750000             -0.0032902
      0.5371000              0.0009137
Cl    S
 127900.0000000             -0.0002120
  19170.0000000             -0.0008223
   4363.0000000             -0.0032917
   1236.0000000             -0.0119686
    403.6000000             -0.0398788
    145.7000000             -0.1007232
     56.8100000             -0.2019238
     23.2300000             -0.1251436
      6.6440000              0.5156793
      2.5750000              0.6036405
      0.5371000              0.0409998
Cl    S
 127900.0000000              0.0000641
  19170.0000000              0.0002493
   4363.0000000              0.0009932
   1236.0000000              0.0036490
    403.6000000              0.0120657
    145.7000000              0.0313839
     56.8100000              0.0630662
     23.2300000              0.0444061
      6.6440000             -0.2234945
      2.5750000             -0.4034348
      0.5371000              0.6454547
Cl    S
      0.1938000              1.0000000
Cl    P
    417.6000000              0.0056562
     98.3300000              0.0406072
     31.0400000              0.1657433
     11.1900000              0.3875622
      4.2490000              0.4561525
      1.6240000              0.1510753
      0.5322000              0.0018524
Cl    P
    417.6000000             -0.0015435
     98.3300000             -0.0109957
     31.0400000             -0.0473146
     11.1900000             -0.1110564
      4.2490000             -0.1527934
      1.6240000              0.0902488
      0.5322000              0.5790746
Cl    P
      0.1620000              1.0000000
Cl    D
      0.6000000              1.0000000
end
basis "Ar_cc-pVDZ-DK" SPHERICAL 
#basis SET: (34s,15p,1d) -> [4s,3p,1d]
Ar    S
 145700.0000000              0.0007819
  21840.0000000              0.0029793
   4972.0000000              0.0114728
   1408.0000000              0.0413528
    459.7000000              0.1272786
    165.9000000              0.2980274
     64.6900000              0.4194869
     26.4400000              0.2383968
      7.6280000              0.0196834
      2.9960000             -0.0035396
      0.6504000              0.0009560
Ar    S
 145700.0000000             -0.0002242
  21840.0000000             -0.0008517
   4972.0000000             -0.0033425
   1408.0000000             -0.0120238
    459.7000000             -0.0399435
    165.9000000             -0.1011846
     64.6900000             -0.2037182
     26.4400000             -0.1297272
      7.6280000              0.5143673
      2.9960000              0.6048173
      0.6504000              0.0429665
Ar    S
 145700.0000000              0.0000700
  21840.0000000              0.0002668
   4972.0000000              0.0010416
   1408.0000000              0.0037904
    459.7000000              0.0124761
    165.9000000              0.0326374
     64.6900000              0.0656755
     26.4400000              0.0480165
      7.6280000             -0.2347575
      2.9960000             -0.4146406
      0.6504000              0.6501973
Ar    S
      0.2337000              1.0000000
Ar    P
    453.7000000              0.0061759
    106.8000000              0.0439690
     33.7300000              0.1778638
     12.1300000              0.4070852
      4.5940000              0.4513756
      1.6780000              0.1222191
      0.5909000             -0.0043985
Ar    P
    453.7000000             -0.0017393
    106.8000000             -0.0124412
     33.7300000             -0.0524542
     12.1300000             -0.1237693
      4.5940000             -0.1509115
      1.6780000              0.1433727
      0.5909000              0.5839918
Ar    P
      0.1852000              1.0000000
Ar    D
      0.7380000              1.0000000
end
basis "Sc_cc-pVDZ-DK" SPHERICAL 
#basis SET: (96s,61p,15d,2f) -> [6s,5p,3d,1f]
Sc    S
      2.715278E+06           1.060000E-04
      4.065984E+05           3.170000E-04
      9.253004E+04           9.050000E-04
      2.620792E+04           2.464000E-03
      8.549429E+03           6.780000E-03
      3.085975E+03           1.867900E-02
      1.203172E+03           4.941800E-02
      4.984869E+02           1.172100E-01
      2.167360E+02           2.280410E-01
      9.787476E+01           3.098720E-01
      4.520433E+01           2.175500E-01
      2.021187E+01           7.248600E-02
      9.574751E+00           1.159500E-01
      4.540346E+00           1.166380E-01
      1.995687E+00           1.982300E-02
      9.422150E-01          -4.880000E-04
      4.178450E-01           1.830000E-04
      9.576100E-02          -7.000000E-05
      5.135100E-02           6.300000E-05
Sc    S
      2.715278E+06          -6.100000E-05
      4.065984E+05          -1.820000E-04
      9.253004E+04          -5.200000E-04
      2.620792E+04          -1.417000E-03
      8.549429E+03          -3.912000E-03
      3.085975E+03          -1.085300E-02
      1.203172E+03          -2.915500E-02
      4.984869E+02          -7.160000E-02
      2.167360E+02          -1.504450E-01
      9.787476E+01          -2.435420E-01
      4.520433E+01          -2.334530E-01
      2.021187E+01           4.499700E-02
      9.574751E+00           4.960340E-01
      4.540346E+00           4.848560E-01
      1.995687E+00           8.756700E-02
      9.422150E-01          -5.283000E-03
      4.178450E-01           6.420000E-04
      9.576100E-02          -6.970000E-04
      5.135100E-02           5.790000E-04
Sc    S
      2.715278E+06           1.200000E-05
      4.065984E+05           3.600000E-05
      9.253004E+04           1.020000E-04
      2.620792E+04           2.800000E-04
      8.549429E+03           7.740000E-04
      3.085975E+03           2.163000E-03
      1.203172E+03           5.883000E-03
      4.984869E+02           1.488700E-02
      2.167360E+02           3.313200E-02
      9.787476E+01           6.028500E-02
      4.520433E+01           6.745900E-02
      2.021187E+01          -2.501500E-02
      9.574751E+00          -2.708040E-01
      4.540346E+00          -4.320030E-01
      1.995687E+00           7.649300E-02
      9.422150E-01           7.030970E-01
      4.178450E-01           4.425890E-01
      9.576100E-02           2.813800E-02
      5.135100E-02          -1.221900E-02
Sc    S
      2.715278E+06          -5.000000E-06
      4.065984E+05          -1.500000E-05
      9.253004E+04          -4.300000E-05
      2.620792E+04          -1.190000E-04
      8.549429E+03          -3.170000E-04
      3.085975E+03          -9.330000E-04
      1.203172E+03          -2.369000E-03
      4.984869E+02          -6.551000E-03
      2.167360E+02          -1.299800E-02
      9.787476E+01          -2.788900E-02
      4.520433E+01          -2.265200E-02
      2.021187E+01          -4.673000E-03
      9.574751E+00           1.586420E-01
      4.540346E+00           1.412640E-01
      1.995687E+00           9.343500E-02
      9.422150E-01          -8.973280E-01
      4.178450E-01           5.970600E-02
      9.576100E-02           2.309726E+00
      5.135100E-02          -1.286221E+00
Sc    S
      2.715278E+06          -3.000000E-06
      4.065984E+05          -9.000000E-06
      9.253004E+04          -2.500000E-05
      2.620792E+04          -6.800000E-05
      8.549429E+03          -1.870000E-04
      3.085975E+03          -5.230000E-04
      1.203172E+03          -1.424000E-03
      4.984869E+02          -3.597000E-03
      2.167360E+02          -8.033000E-03
      9.787476E+01          -1.459800E-02
      4.520433E+01          -1.651400E-02
      2.021187E+01           6.289000E-03
      9.574751E+00           6.826300E-02
      4.540346E+00           1.165590E-01
      1.995687E+00          -2.994900E-02
      9.422150E-01          -2.308390E-01
      4.178450E-01          -3.023230E-01
      9.576100E-02           2.699030E-01
      5.135100E-02           5.919260E-01
Sc    S
      2.387800E-02           1.000000E+00
Sc    P
      1.059219E+04           1.010000E-04
      2.507533E+03           5.310000E-04
      8.144571E+02           2.612000E-03
      3.115195E+02           1.062400E-02
      1.319617E+02           3.597500E-02
      5.998718E+01           9.924200E-02
      2.866250E+01           2.117340E-01
      1.410851E+01           3.300720E-01
      7.103706E+00           3.297560E-01
      3.609200E+00           1.568380E-01
      1.776070E+00           2.180500E-02
      8.547600E-01          -1.797000E-03
      4.022390E-01          -1.435000E-03
      1.546800E-01          -3.000000E-04
      6.488800E-02           3.700000E-05
Sc    P
      1.059219E+04          -3.300000E-05
      2.507533E+03          -1.740000E-04
      8.144571E+02          -8.600000E-04
      3.115195E+02          -3.515000E-03
      1.319617E+02          -1.205400E-02
      5.998718E+01          -3.406900E-02
      2.866250E+01          -7.521300E-02
      1.410851E+01          -1.224250E-01
      7.103706E+00          -1.293380E-01
      3.609200E+00           1.627400E-02
      1.776070E+00           3.101820E-01
      8.547600E-01           4.626890E-01
      4.022390E-01           3.035190E-01
      1.546800E-01           5.051500E-02
      6.488800E-02          -4.393000E-03
Sc    P
      1.059219E+04           1.000000E-05
      2.507533E+03           5.200000E-05
      8.144571E+02           2.530000E-04
      3.115195E+02           1.051000E-03
      1.319617E+02           3.555000E-03
      5.998718E+01           1.021800E-02
      2.866250E+01           2.220400E-02
      1.410851E+01           3.728600E-02
      7.103706E+00           3.782400E-02
      3.609200E+00          -4.972000E-03
      1.776070E+00          -1.112850E-01
      8.547600E-01          -1.627100E-01
      4.022390E-01          -1.826910E-01
      1.546800E-01           3.998710E-01
      6.488800E-02           6.854100E-01
Sc    P
      1.059219E+04          -8.000000E-06
      2.507533E+03          -4.200000E-05
      8.144571E+02          -2.100000E-04
      3.115195E+02          -8.550000E-04
      1.319617E+02          -2.952000E-03
      5.998718E+01          -8.312000E-03
      2.866250E+01          -1.853100E-02
      1.410851E+01          -3.003300E-02
      7.103706E+00          -3.264100E-02
      3.609200E+00           8.348000E-03
      1.776070E+00           8.799200E-02
      8.547600E-01           1.519130E-01
      4.022390E-01           9.640600E-02
      1.546800E-01          -2.563870E-01
      6.488800E-02          -5.874490E-01
Sc    P
      2.630100E-02           1.000000E+00
Sc    D
      5.065420E+01           4.252000E-03
      1.473250E+01           2.746500E-02
      5.180460E+00           9.922700E-02
      2.019590E+00           2.299670E-01
      7.992190E-01           3.442870E-01
      3.053160E-01           3.736260E-01
      1.104440E-01           2.680210E-01
Sc    D
      5.065420E+01          -4.396000E-03
      1.473250E+01          -2.826300E-02
      5.180460E+00          -1.047920E-01
      2.019590E+00          -2.343530E-01
      7.992190E-01          -3.255090E-01
      3.053160E-01          -6.999500E-02
      1.104440E-01           5.949220E-01
Sc    D
      3.706500E-02           1.000000E+00
Sc    F
      7.126000E-01           3.617450E-01
      1.636000E-01           8.218680E-01
end
basis "Ti_cc-pVDZ-DK" SPHERICAL 
#basis SET: (96s,61p,15d,2f) -> [6s,5p,3d,1f]
Ti    S
      3.014643E+06           1.120000E-04
      4.514329E+05           3.320000E-04
      1.027338E+05           9.400000E-04
      2.909817E+04           2.532000E-03
      9.492330E+03           6.879000E-03
      3.426346E+03           1.874900E-02
      1.335896E+03           4.929400E-02
      5.535026E+02           1.166940E-01
      2.406925E+02           2.273250E-01
      1.087293E+02           3.105540E-01
      5.026457E+01           2.205840E-01
      2.258004E+01           7.324700E-02
      1.071432E+01           1.131540E-01
      5.093546E+00           1.136590E-01
      2.244183E+00           1.931600E-02
      1.059570E+00          -4.650000E-04
      4.688490E-01           1.590000E-04
      1.061430E-01          -5.900000E-05
      5.526200E-02           6.200000E-05
Ti    S
      3.014643E+06          -6.300000E-05
      4.514329E+05          -1.890000E-04
      1.027338E+05          -5.350000E-04
      2.909817E+04          -1.443000E-03
      9.492330E+03          -3.933000E-03
      3.426346E+03          -1.079600E-02
      1.335896E+03          -2.882900E-02
      5.535026E+02          -7.067400E-02
      2.406925E+02          -1.487780E-01
      1.087293E+02          -2.420600E-01
      5.026457E+01          -2.347210E-01
      2.258004E+01           4.220600E-02
      1.071432E+01           4.983350E-01
      5.093546E+00           4.868870E-01
      2.244183E+00           8.790400E-02
      1.059570E+00          -5.264000E-03
      4.688490E-01           5.520000E-04
      1.061430E-01          -6.280000E-04
      5.526200E-02           5.530000E-04
Ti    S
      3.014643E+06           1.300000E-05
      4.514329E+05           3.800000E-05
      1.027338E+05           1.090000E-04
      2.909817E+04           2.940000E-04
      9.492330E+03           8.030000E-04
      3.426346E+03           2.220000E-03
      1.335896E+03           5.999000E-03
      5.535026E+02           1.514900E-02
      2.406925E+02           3.373300E-02
      1.087293E+02           6.156300E-02
      5.026457E+01           6.946200E-02
      2.258004E+01          -2.415500E-02
      1.071432E+01          -2.789840E-01
      5.093546E+00          -4.386710E-01
      2.244183E+00           9.090600E-02
      1.059570E+00           7.091310E-01
      4.688490E-01           4.311640E-01
      1.061430E-01           2.589800E-02
      5.526200E-02          -1.100700E-02
Ti    S
      3.014643E+06          -6.000000E-06
      4.514329E+05          -1.700000E-05
      1.027338E+05          -4.800000E-05
      2.909817E+04          -1.310000E-04
      9.492330E+03          -3.460000E-04
      3.426346E+03          -1.009000E-03
      1.335896E+03          -2.532000E-03
      5.535026E+02          -7.042000E-03
      2.406925E+02          -1.382900E-02
      1.087293E+02          -3.022100E-02
      5.026457E+01          -2.398100E-02
      2.258004E+01          -7.185000E-03
      1.071432E+01           1.758840E-01
      5.093546E+00           1.462460E-01
      2.244183E+00           9.718400E-02
      1.059570E+00          -1.001736E+00
      4.688490E-01           1.999570E-01
      1.061430E-01           2.218104E+00
      5.526200E-02          -1.342323E+00
Ti    S
      3.014643E+06          -3.000000E-06
      4.514329E+05          -9.000000E-06
      1.027338E+05          -2.600000E-05
      2.909817E+04          -7.000000E-05
      9.492330E+03          -1.910000E-04
      3.426346E+03          -5.260000E-04
      1.335896E+03          -1.424000E-03
      5.535026E+02          -3.593000E-03
      2.406925E+02          -8.022000E-03
      1.087293E+02          -1.464600E-02
      5.026457E+01          -1.666100E-02
      2.258004E+01           5.889000E-03
      1.071432E+01           6.934700E-02
      5.093546E+00           1.159210E-01
      2.244183E+00          -3.271700E-02
      1.059570E+00          -2.334140E-01
      4.688490E-01          -2.869410E-01
      1.061430E-01           2.839540E-01
      5.526200E-02           5.841130E-01
Ti    S
      2.546500E-02           1.000000E+00
Ti    P
      1.191203E+04           1.040000E-04
      2.819947E+03           5.330000E-04
      9.159479E+02           2.588000E-03
      3.503842E+02           1.047000E-02
      1.484825E+02           3.547100E-02
      6.753944E+01           9.816400E-02
      3.230332E+01           2.106310E-01
      1.592786E+01           3.301970E-01
      8.038035E+00           3.305000E-01
      4.093916E+00           1.571860E-01
      2.022390E+00           2.196700E-02
      9.761020E-01          -1.761000E-03
      4.595950E-01          -1.430000E-03
      1.771950E-01          -2.900000E-04
      7.344200E-02           3.400000E-05
Ti    P
      1.191203E+04          -3.500000E-05
      2.819947E+03          -1.790000E-04
      9.159479E+02          -8.700000E-04
      3.503842E+02          -3.541000E-03
      1.484825E+02          -1.215000E-02
      6.753944E+01          -3.447100E-02
      3.230332E+01          -7.659400E-02
      1.592786E+01          -1.256220E-01
      8.038035E+00          -1.320480E-01
      4.093916E+00           1.939600E-02
      2.022390E+00           3.164550E-01
      9.761020E-01           4.614890E-01
      4.595950E-01           2.980100E-01
      1.771950E-01           4.951700E-02
      7.344200E-02          -4.108000E-03
Ti    P
      1.191203E+04           1.000000E-05
      2.819947E+03           5.400000E-05
      9.159479E+02           2.610000E-04
      3.503842E+02           1.071000E-03
      1.484825E+02           3.639000E-03
      6.753944E+01           1.046100E-02
      3.230332E+01           2.298500E-02
      1.592786E+01           3.867200E-02
      8.038035E+00           3.949900E-02
      4.093916E+00          -6.899000E-03
      2.022390E+00          -1.146250E-01
      9.761020E-01          -1.708870E-01
      4.595950E-01          -1.652610E-01
      1.771950E-01           4.058580E-01
      7.344200E-02           6.742340E-01
Ti    P
      1.191203E+04           8.000000E-06
      2.819947E+03           4.300000E-05
      9.159479E+02           2.090000E-04
      3.503842E+02           8.480000E-04
      1.484825E+02           2.925000E-03
      6.753944E+01           8.276000E-03
      3.230332E+01           1.855000E-02
      1.592786E+01           3.034000E-02
      8.038035E+00           3.271500E-02
      4.093916E+00          -8.720000E-03
      2.022390E+00          -8.863600E-02
      9.761020E-01          -1.491650E-01
      4.595950E-01          -9.323200E-02
      1.771950E-01           2.507080E-01
      7.344200E-02           5.861800E-01
Ti    P
      2.933400E-02           1.000000E+00
Ti    D
      6.434020E+01           3.883000E-03
      1.884180E+01           2.620400E-02
      6.719830E+00           9.688700E-02
      2.656130E+00           2.316310E-01
      1.073680E+00           3.519720E-01
      4.205570E-01           3.725630E-01
      1.548170E-01           2.505630E-01
Ti    D
      6.434020E+01          -3.979000E-03
      1.884180E+01          -2.676400E-02
      6.719830E+00          -1.018940E-01
      2.656130E+00          -2.371110E-01
      1.073680E+00          -3.132860E-01
      4.205570E-01          -4.656300E-02
      1.548170E-01           5.840720E-01
Ti    D
      5.149000E-02           1.000000E+00
Ti    F
      1.227400E+00           3.581580E-01
      2.788000E-01           8.257940E-01
end
basis "V_cc-pVDZ-DK" SPHERICAL 
#basis SET: (96s,61p,15d,2f) -> [6s,5p,3d,1f]
V    S
      3.321857E+06           1.180000E-04
      4.974356E+05           3.490000E-04
      1.132027E+05           9.820000E-04
      3.206333E+04           2.618000E-03
      1.045962E+04           7.032000E-03
      3.775506E+03           1.896600E-02
      1.472040E+03           4.954400E-02
      6.099331E+02           1.170070E-01
      2.652634E+02           2.280590E-01
      1.198607E+02           3.128050E-01
      5.544891E+01           2.243300E-01
      2.498372E+01           7.358900E-02
      1.188056E+01           1.075150E-01
      5.660311E+00           1.073700E-01
      2.495703E+00           1.804800E-02
      1.177866E+00          -4.330000E-04
      5.200440E-01           1.240000E-04
      1.159650E-01          -4.600000E-05
      5.893800E-02           5.900000E-05
V    S
      3.321857E+06          -6.600000E-05
      4.974356E+05          -1.940000E-04
      1.132027E+05          -5.450000E-04
      3.206333E+04          -1.457000E-03
      1.045962E+04          -3.927000E-03
      3.775506E+03          -1.066800E-02
      1.472040E+03          -2.831600E-02
      6.099331E+02          -6.928800E-02
      2.652634E+02          -1.461110E-01
      1.198607E+02          -2.389450E-01
      5.544891E+01          -2.339170E-01
      2.498372E+01           4.210700E-02
      1.188056E+01           5.024910E-01
      5.660311E+00           4.878150E-01
      2.495703E+00           8.731200E-02
      1.177866E+00          -5.353000E-03
      5.200440E-01           4.350000E-04
      1.159650E-01          -5.700000E-04
      5.893800E-02           5.410000E-04
V    S
      3.321857E+06           1.400000E-05
      4.974356E+05           4.100000E-05
      1.132027E+05           1.150000E-04
      3.206333E+04           3.080000E-04
      1.045962E+04           8.330000E-04
      3.775506E+03           2.278000E-03
      1.472040E+03           6.117000E-03
      6.099331E+02           1.540800E-02
      2.652634E+02           3.430100E-02
      1.198607E+02           6.272200E-02
      5.544891E+01           7.104700E-02
      2.498372E+01          -2.411900E-02
      1.188056E+01          -2.872100E-01
      5.660311E+00          -4.426090E-01
      2.495703E+00           1.068750E-01
      1.177866E+00           7.133290E-01
      5.200440E-01           4.194430E-01
      1.159650E-01           2.383100E-02
      5.893800E-02          -9.883000E-03
V    S
      3.321857E+06          -6.000000E-06
      4.974356E+05          -1.800000E-05
      1.132027E+05          -5.100000E-05
      3.206333E+04          -1.410000E-04
      1.045962E+04          -3.660000E-04
      3.775506E+03          -1.061000E-03
      1.472040E+03          -2.635000E-03
      6.099331E+02          -7.343000E-03
      2.652634E+02          -1.432700E-02
      1.198607E+02          -3.164100E-02
      5.544891E+01          -2.475000E-02
      2.498372E+01          -8.638000E-03
      1.188056E+01           1.872210E-01
      5.660311E+00           1.479670E-01
      2.495703E+00           9.330700E-02
      1.177866E+00          -1.056754E+00
      5.200440E-01           2.916520E-01
      1.159650E-01           2.133999E+00
      5.893800E-02          -1.354378E+00
V    S
      3.321857E+06          -3.000000E-06
      4.974356E+05          -1.000000E-05
      1.132027E+05          -2.700000E-05
      3.206333E+04          -7.200000E-05
      1.045962E+04          -1.940000E-04
      3.775506E+03          -5.300000E-04
      1.472040E+03          -1.425000E-03
      6.099331E+02          -3.589000E-03
      2.652634E+02          -8.003000E-03
      1.198607E+02          -1.466100E-02
      5.544891E+01          -1.670400E-02
      2.498372E+01           5.706000E-03
      1.188056E+01           7.035600E-02
      5.660311E+00           1.145620E-01
      2.495703E+00          -3.595000E-02
      1.177866E+00          -2.344200E-01
      5.200440E-01          -2.726820E-01
      1.159650E-01           2.965280E-01
      5.893800E-02           5.772100E-01
V    S
      2.694600E-02           1.000000E+00
V    P
      1.327320E+04           1.080000E-04
      3.142126E+03           5.390000E-04
      1.020588E+03           2.582000E-03
      3.904407E+02           1.039000E-02
      1.655043E+02           3.518900E-02
      7.532006E+01           9.758900E-02
      3.605503E+01           2.102360E-01
      1.780436E+01           3.306940E-01
      9.002929E+00           3.306980E-01
      4.594544E+00           1.567000E-01
      2.276760E+00           2.185700E-02
      1.101178E+00          -1.768000E-03
      5.186380E-01          -1.457000E-03
      2.005740E-01          -2.830000E-04
      8.121700E-02           3.100000E-05
V    P
      1.327320E+04          -3.700000E-05
      3.142126E+03          -1.840000E-04
      1.020588E+03          -8.830000E-04
      3.904407E+02          -3.576000E-03
      1.655043E+02          -1.226400E-02
      7.532006E+01          -3.489100E-02
      3.605503E+01          -7.788900E-02
      1.780436E+01          -1.284150E-01
      9.002929E+00          -1.338960E-01
      4.594544E+00           2.315900E-02
      2.276760E+00           3.220750E-01
      1.101178E+00           4.598860E-01
      5.186380E-01           2.931220E-01
      2.005740E-01           4.844500E-02
      8.121700E-02          -3.703000E-03
V    P
      1.327320E+04           1.100000E-05
      3.142126E+03           5.600000E-05
      1.020588E+03           2.660000E-04
      3.904407E+02           1.087000E-03
      1.655043E+02           3.688000E-03
      7.532006E+01           1.064000E-02
      3.605503E+01           2.346800E-02
      1.780436E+01           3.976300E-02
      9.002929E+00           4.018800E-02
      4.594544E+00          -8.099000E-03
      2.276760E+00          -1.183280E-01
      1.101178E+00          -1.730030E-01
      5.186380E-01          -1.539630E-01
      2.005740E-01           4.118200E-01
      8.121700E-02           6.696520E-01
V    P
      1.327320E+04           9.000000E-06
      3.142126E+03           4.400000E-05
      1.020588E+03           2.140000E-04
      3.904407E+02           8.620000E-04
      1.655043E+02           2.972000E-03
      7.532006E+01           8.441000E-03
      3.605503E+01           1.899500E-02
      1.780436E+01           3.128900E-02
      9.002929E+00           3.333800E-02
      4.594544E+00          -1.007500E-02
      2.276760E+00          -9.256200E-02
      1.101178E+00          -1.488610E-01
      5.186380E-01          -8.230200E-02
      2.005740E-01           2.504590E-01
      8.121700E-02           5.799250E-01
V    P
      3.173300E-02           1.000000E+00
V    D
      7.828410E+01           3.587000E-03
      2.301200E+01           2.497400E-02
      8.290160E+00           9.402900E-02
      3.307910E+00           2.290420E-01
      1.355550E+00           3.518030E-01
      5.392580E-01           3.708890E-01
      2.012550E-01           2.485580E-01
V    D
      7.828410E+01          -3.818000E-03
      2.301200E+01          -2.653100E-02
      8.290160E+00          -1.030470E-01
      3.307910E+00          -2.466900E-01
      1.355550E+00          -3.129250E-01
      5.392580E-01          -2.758100E-02
      2.012550E-01           5.660110E-01
V    D
      6.714600E-02           1.000000E+00
V    F
      1.748800E+00           3.900680E-01
      4.057000E-01           8.008410E-01
end
basis "Cr_cc-pVDZ-DK" SPHERICAL 
#basis SET: (96s,61p,15d,2f) -> [6s,5p,3d,1f]
Cr    S
      6.177194E+06           8.400000E-05
      9.249295E+05           2.410000E-04
      2.104865E+05           6.580000E-04
      5.962005E+04           1.673000E-03
      1.945076E+04           4.248000E-03
      7.022056E+03           1.088900E-02
      2.738763E+03           2.785900E-02
      1.135814E+03           6.788800E-02
      4.950923E+02           1.468020E-01
      2.247487E+02           2.556230E-01
      1.053836E+02           2.984080E-01
      5.019359E+01           1.745600E-01
      2.224957E+01           6.969000E-02
      1.098265E+01           1.141840E-01
      5.383665E+00           8.407000E-02
      2.343685E+00           9.926000E-03
      1.105202E+00          -3.160000E-04
      4.878480E-01           5.900000E-05
      8.959900E-02           1.600000E-05
Cr    S
      6.177194E+06          -4.600000E-05
      9.249295E+05          -1.340000E-04
      2.104865E+05          -3.640000E-04
      5.962005E+04          -9.270000E-04
      1.945076E+04          -2.361000E-03
      7.022056E+03          -6.076000E-03
      2.738763E+03          -1.572300E-02
      1.135814E+03          -3.907800E-02
      4.950923E+02          -8.871100E-02
      2.247487E+02          -1.701120E-01
      1.053836E+02          -2.472980E-01
      5.019359E+01          -1.863810E-01
      2.224957E+01           1.584390E-01
      1.098265E+01           5.481250E-01
      5.383665E+00           3.885790E-01
      2.343685E+00           4.928100E-02
      1.105202E+00          -4.305000E-03
      4.878480E-01           1.110000E-04
      8.959900E-02          -2.700000E-05
Cr    S
      6.177194E+06           1.000000E-05
      9.249295E+05           2.900000E-05
      2.104865E+05           7.800000E-05
      5.962005E+04           2.000000E-04
      1.945076E+04           5.110000E-04
      7.022056E+03           1.317000E-03
      2.738763E+03           3.447000E-03
      1.135814E+03           8.668000E-03
      4.950923E+02           2.049500E-02
      2.247487E+02           4.170100E-02
      1.053836E+02           6.930000E-02
      5.019359E+01           5.818900E-02
      2.224957E+01          -7.618100E-02
      1.098265E+01          -3.561380E-01
      5.383665E+00          -3.726510E-01
      2.343685E+00           2.838030E-01
      1.105202E+00           7.149340E-01
      4.878480E-01           2.908760E-01
      8.959900E-02           6.909000E-03
Cr    S
      6.177194E+06           4.000000E-06
      9.249295E+05           1.300000E-05
      2.104865E+05           3.600000E-05
      5.962005E+04           8.800000E-05
      1.945076E+04           2.390000E-04
      7.022056E+03           5.570000E-04
      2.738763E+03           1.682000E-03
      1.135814E+03           3.490000E-03
      4.950923E+02           1.051200E-02
      2.247487E+02           1.539200E-02
      1.053836E+02           4.027700E-02
      5.019359E+01           7.394000E-03
      2.224957E+01           1.405700E-02
      1.098265E+01          -2.936730E-01
      5.383665E+00           3.010000E-03
      2.343685E+00          -1.758500E-01
      1.105202E+00           1.500646E+00
      4.878480E-01          -1.126940E+00
      8.959900E-02          -1.227088E+00
Cr    S
      6.177194E+06          -2.000000E-06
      9.249295E+05          -7.000000E-06
      2.104865E+05          -1.800000E-05
      5.962005E+04          -4.500000E-05
      1.945076E+04          -1.170000E-04
      7.022056E+03          -2.980000E-04
      2.738763E+03          -7.900000E-04
      1.135814E+03          -1.957000E-03
      4.950923E+02          -4.725000E-03
      2.247487E+02          -9.368000E-03
      1.053836E+02          -1.625000E-02
      5.019359E+01          -1.254900E-02
      2.224957E+01           1.555000E-02
      1.098265E+01           9.169100E-02
      5.383665E+00           8.542600E-02
      2.343685E+00          -6.625000E-02
      1.105202E+00          -2.868520E-01
      4.878480E-01          -1.703030E-01
      8.959900E-02           6.967260E-01
Cr    S
      3.342300E-02           1.000000E+00
Cr    P
      1.445420E+04           1.150000E-04
      3.421676E+03           5.600000E-04
      1.111387E+03           2.653000E-03
      4.251918E+02           1.061200E-02
      1.802623E+02           3.586700E-02
      8.206117E+01           9.932400E-02
      3.929726E+01           2.135250E-01
      1.941959E+01           3.339970E-01
      9.828899E+00           3.282920E-01
      5.016810E+00           1.505820E-01
      2.487091E+00           2.000200E-02
      1.198780E+00          -1.563000E-03
      5.586950E-01          -1.291000E-03
      2.093660E-01          -2.120000E-04
      8.472200E-02           2.400000E-05
Cr    P
      1.445420E+04          -4.000000E-05
      3.421676E+03          -1.940000E-04
      1.111387E+03          -9.220000E-04
      4.251918E+02          -3.711000E-03
      1.802623E+02          -1.270600E-02
      8.206117E+01          -3.612100E-02
      3.929726E+01          -8.054000E-02
      1.941959E+01          -1.323120E-01
      9.828899E+00          -1.340350E-01
      5.016810E+00           3.470700E-02
      2.487091E+00           3.356300E-01
      1.198780E+00           4.612780E-01
      5.586950E-01           2.785730E-01
      2.093660E-01           4.122100E-02
      8.472200E-02          -3.800000E-03
Cr    P
      1.445420E+04           1.200000E-05
      3.421676E+03           5.900000E-05
      1.111387E+03           2.770000E-04
      4.251918E+02           1.121000E-03
      1.802623E+02           3.820000E-03
      8.206117E+01           1.094000E-02
      3.929726E+01           2.430100E-02
      1.941959E+01           4.059400E-02
      9.828899E+00           4.077300E-02
      5.016810E+00          -1.344000E-02
      2.487091E+00          -1.211060E-01
      1.198780E+00          -1.827370E-01
      5.586950E-01          -1.200720E-01
      2.093660E-01           4.449520E-01
      8.472200E-02           6.413430E-01
Cr    P
      1.445420E+04           9.000000E-06
      3.421676E+03           4.600000E-05
      1.111387E+03           2.190000E-04
      4.251918E+02           8.780000E-04
      1.802623E+02           3.030000E-03
      8.206117E+01           8.568000E-03
      3.929726E+01           1.934300E-02
      1.941959E+01           3.156000E-02
      9.828899E+00           3.305600E-02
      5.016810E+00          -1.359000E-02
      2.487091E+00          -9.400900E-02
      1.198780E+00          -1.498470E-01
      5.586950E-01          -6.571600E-02
      2.093660E-01           2.711740E-01
      8.472200E-02           5.750590E-01
Cr    P
      3.327800E-02           1.000000E+00
Cr    D
      8.947450E+01           3.617000E-03
      2.633680E+01           2.553900E-02
      9.534290E+00           9.683400E-02
      3.821180E+00           2.351220E-01
      1.571690E+00           3.574460E-01
      6.264220E-01           3.691600E-01
      2.330550E-01           2.380780E-01
Cr    D
      8.947450E+01          -4.124000E-03
      2.633680E+01          -2.909800E-02
      9.534290E+00          -1.143160E-01
      3.821180E+00          -2.719580E-01
      1.571690E+00          -3.162730E-01
      6.264220E-01           3.745700E-02
      2.330550E-01           5.894820E-01
Cr    D
      7.630300E-02           1.000000E+00
Cr    F
      2.221100E+00           4.235450E-01
      5.231000E-01           7.741140E-01
end
basis "Mn_cc-pVDZ-DK" SPHERICAL 
#basis SET: (96s,61p,15d,2f) -> [6s,5p,3d,1f]
Mn    S
      3.960805E+06           1.350000E-04
      5.931155E+05           3.950000E-04
      1.349768E+05           1.096000E-03
      3.823067E+04           2.871000E-03
      1.247154E+04           7.554000E-03
      4.501743E+03           1.997500E-02
      1.755212E+03           5.150800E-02
      7.273039E+02           1.210030E-01
      3.163678E+02           2.360360E-01
      1.430098E+02           3.264820E-01
      6.621805E+01           2.393020E-01
      2.991896E+01           7.182000E-02
      1.430318E+01           7.595000E-02
      6.839451E+00           7.503000E-02
      3.012374E+00           1.183600E-02
      1.418808E+00          -3.590000E-04
      6.236240E-01          -6.200000E-05
      1.340980E-01          -1.400000E-05
      6.554800E-02           2.600000E-05
Mn    S
      3.960805E+06          -6.500000E-05
      5.931155E+05          -1.890000E-04
      1.349768E+05          -5.250000E-04
      3.823067E+04          -1.379000E-03
      1.247154E+04          -3.642000E-03
      4.501743E+03          -9.711000E-03
      1.755212E+03          -2.548900E-02
      7.273039E+02          -6.225900E-02
      3.163678E+02          -1.322860E-01
      1.430098E+02          -2.204590E-01
      6.621805E+01          -2.215130E-01
      2.991896E+01           4.933600E-02
      1.430318E+01           5.165030E-01
      6.839451E+00           4.900740E-01
      3.012374E+00           8.458600E-02
      1.418808E+00          -6.857000E-03
      6.236240E-01          -4.660000E-04
      1.340980E-01          -5.260000E-04
      6.554800E-02           4.990000E-04
Mn    S
      3.960805E+06           1.600000E-05
      5.931155E+05           4.600000E-05
      1.349768E+05           1.280000E-04
      3.823067E+04           3.370000E-04
      1.247154E+04           8.910000E-04
      4.501743E+03           2.391000E-03
      1.755212E+03           6.334000E-03
      7.273039E+02           1.586600E-02
      3.163678E+02           3.523600E-02
      1.430098E+02           6.454500E-02
      6.621805E+01           7.305700E-02
      2.991896E+01          -2.573700E-02
      1.430318E+01          -3.026850E-01
      6.839451E+00          -4.440650E-01
      3.012374E+00           1.409020E-01
      1.418808E+00           7.189900E-01
      6.236240E-01           3.952070E-01
      1.340980E-01           1.985100E-02
      6.554800E-02          -7.783000E-03
Mn    S
      3.960805E+06          -7.000000E-06
      5.931155E+05          -2.100000E-05
      1.349768E+05          -5.700000E-05
      3.823067E+04          -1.530000E-04
      1.247154E+04          -3.900000E-04
      4.501743E+03          -1.107000E-03
      1.755212E+03          -2.716000E-03
      7.273039E+02          -7.526000E-03
      3.163678E+02          -1.464300E-02
      1.430098E+02          -3.243400E-02
      6.621805E+01          -2.523900E-02
      2.991896E+01          -8.668000E-03
      1.430318E+01           1.951750E-01
      6.839451E+00           1.474640E-01
      3.012374E+00           7.037500E-02
      1.418808E+00          -1.066777E+00
      6.236240E-01           3.723110E-01
      1.340980E-01           1.987207E+00
      6.554800E-02          -1.289393E+00
Mn    S
      3.960805E+06          -4.000000E-06
      5.931155E+05          -1.000000E-05
      1.349768E+05          -2.900000E-05
      3.823067E+04          -7.500000E-05
      1.247154E+04          -1.990000E-04
      4.501743E+03          -5.330000E-04
      1.755212E+03          -1.413000E-03
      7.273039E+02          -3.542000E-03
      3.163678E+02          -7.871000E-03
      1.430098E+02          -1.446600E-02
      6.621805E+01          -1.642500E-02
      2.991896E+01           5.762000E-03
      1.430318E+01           7.126600E-02
      6.839451E+00           1.094140E-01
      3.012374E+00          -4.281300E-02
      1.418808E+00          -2.293830E-01
      6.236240E-01          -2.461200E-01
      1.340980E-01           3.096530E-01
      6.554800E-02           5.658570E-01
Mn    S
      2.958400E-02           1.000000E+00
Mn    P
      1.620586E+04           1.180000E-04
      3.836274E+03           5.550000E-04
      1.246048E+03           2.591000E-03
      4.767535E+02           1.029700E-02
      2.021895E+02           3.481200E-02
      9.209487E+01           9.681400E-02
      4.414720E+01           2.099030E-01
      2.185468E+01           3.319070E-01
      1.108596E+01           3.311790E-01
      5.674108E+00           1.557000E-01
      2.823170E+00           2.090600E-02
      1.368621E+00          -2.814000E-03
      6.444310E-01          -2.148000E-03
      2.483460E-01          -3.790000E-04
      9.717500E-02           3.600000E-05
Mn    P
      1.620586E+04          -4.100000E-05
      3.836274E+03          -1.930000E-04
      1.246048E+03          -9.030000E-04
      4.767535E+02          -3.614000E-03
      2.021895E+02          -1.237300E-02
      9.209487E+01          -3.534100E-02
      4.414720E+01          -7.949900E-02
      2.185468E+01          -1.321930E-01
      1.108596E+01          -1.356890E-01
      5.674108E+00           3.013300E-02
      2.823170E+00           3.310290E-01
      1.368621E+00           4.567780E-01
      6.444310E-01           2.859100E-01
      2.483460E-01           4.658300E-02
      9.717500E-02          -3.384000E-03
Mn    P
      1.620586E+04           1.300000E-05
      3.836274E+03           6.000000E-05
      1.246048E+03           2.790000E-04
      4.767535E+02           1.127000E-03
      2.021895E+02           3.818000E-03
      9.209487E+01           1.106100E-02
      4.414720E+01           2.458500E-02
      2.185468E+01           4.203300E-02
      1.108596E+01           4.181100E-02
      5.674108E+00          -1.084700E-02
      2.823170E+00          -1.265590E-01
      1.368621E+00          -1.789830E-01
      6.444310E-01          -1.260670E-01
      2.483460E-01           4.203830E-01
      9.717500E-02           6.578380E-01
Mn    P
      1.620586E+04          -9.000000E-06
      3.836274E+03          -4.400000E-05
      1.246048E+03          -2.080000E-04
      4.767535E+02          -8.320000E-04
      2.021895E+02          -2.857000E-03
      9.209487E+01          -8.164000E-03
      4.414720E+01          -1.845500E-02
      2.185468E+01          -3.077300E-02
      1.108596E+01          -3.199900E-02
      5.674108E+00           1.075100E-02
      2.823170E+00           9.089400E-02
      1.368621E+00           1.379450E-01
      6.444310E-01           7.611200E-02
      2.483460E-01          -2.313460E-01
      9.717500E-02          -5.751700E-01
Mn    P
      3.656500E-02           1.000000E+00
Mn    D
      1.019040E+02           3.575000E-03
      3.003370E+01           2.557500E-02
      1.092380E+01           9.774700E-02
      4.397400E+00           2.370560E-01
      1.815950E+00           3.579230E-01
      7.257310E-01           3.658070E-01
      2.699610E-01           2.362960E-01
Mn    D
      1.019040E+02          -3.646000E-03
      3.003370E+01          -2.607900E-02
      1.092380E+01          -1.024550E-01
      4.397400E+00          -2.488950E-01
      1.815950E+00          -3.018870E-01
      7.257310E-01           8.369000E-03
      2.699610E-01           5.397650E-01
Mn    D
      8.776000E-02           1.000000E+00
Mn    F
      2.703200E+00           4.267760E-01
      6.438000E-01           7.697990E-01
end
basis "Fe_cc-pVDZ-DK" SPHERICAL 
#basis SET: (96s,61p,15d,2f) -> [6s,5p,3d,1f]
Fe    S
      4.316265E+06           1.400000E-04
      6.463424E+05           4.050000E-04
      1.470897E+05           1.119000E-03
      4.166152E+04           2.907000E-03
      1.359077E+04           7.571000E-03
      4.905750E+03           1.981800E-02
      1.912746E+03           5.073400E-02
      7.926043E+02           1.187290E-01
      3.448065E+02           2.311640E-01
      1.558999E+02           3.193220E-01
      7.223091E+01           2.336480E-01
      3.272506E+01           7.402200E-02
      1.566762E+01           9.095200E-02
      7.503483E+00           8.889800E-02
      3.312223E+00           1.430200E-02
      1.558471E+00          -3.870000E-04
      6.839140E-01           8.000000E-06
      1.467570E-01          -2.500000E-05
      7.058300E-02           3.200000E-05
Fe    S
      4.316265E+06          -7.200000E-05
      6.463424E+05          -2.090000E-04
      1.470897E+05          -5.790000E-04
      4.166152E+04          -1.506000E-03
      1.359077E+04          -3.939000E-03
      4.905750E+03          -1.039600E-02
      1.912746E+03          -2.707400E-02
      7.926043E+02          -6.577700E-02
      3.448065E+02          -1.390820E-01
      1.558999E+02          -2.301500E-01
      7.223091E+01          -2.296630E-01
      3.272506E+01           4.609100E-02
      1.566762E+01           5.150510E-01
      7.503483E+00           4.871750E-01
      3.312223E+00           8.438000E-02
      1.558471E+00          -5.911000E-03
      6.839140E-01          -4.400000E-05
      1.467570E-01          -4.870000E-04
      7.058300E-02           4.370000E-04
Fe    S
      4.316265E+06           1.700000E-05
      6.463424E+05           4.900000E-05
      1.470897E+05           1.350000E-04
      4.166152E+04           3.520000E-04
      1.359077E+04           9.230000E-04
      4.905750E+03           2.452000E-03
      1.912746E+03           6.451000E-03
      7.926043E+02           1.610600E-02
      3.448065E+02           3.574200E-02
      1.558999E+02           6.552800E-02
      7.223091E+01           7.443000E-02
      3.272506E+01          -2.571100E-02
      1.566762E+01          -3.086450E-01
      7.503483E+00          -4.465440E-01
      3.312223E+00           1.489850E-01
      1.558471E+00           7.203950E-01
      6.839140E-01           3.896980E-01
      1.467570E-01           1.918400E-02
      7.058300E-02          -7.023000E-03
Fe    S
      4.316265E+06          -7.000000E-06
      6.463424E+05          -2.100000E-05
      1.470897E+05          -5.800000E-05
      4.166152E+04          -1.550000E-04
      1.359077E+04          -3.930000E-04
      4.905750E+03          -1.101000E-03
      1.912746E+03          -2.693000E-03
      7.926043E+02          -7.404000E-03
      3.448065E+02          -1.448400E-02
      1.558999E+02          -3.185300E-02
      7.223091E+01          -2.535200E-02
      3.272506E+01          -7.887000E-03
      1.566762E+01           1.914700E-01
      7.503483E+00           1.482420E-01
      3.312223E+00           5.076100E-02
      1.558471E+00          -1.012246E+00
      6.839140E-01           3.423390E-01
      1.467570E-01           1.857266E+00
      7.058300E-02          -1.063679E+00
Fe    S
      4.316265E+06          -4.000000E-06
      6.463424E+05          -1.100000E-05
      1.470897E+05          -2.900000E-05
      4.166152E+04          -7.700000E-05
      1.359077E+04          -2.010000E-04
      4.905750E+03          -5.350000E-04
      1.912746E+03          -1.408000E-03
      7.926043E+02          -3.518000E-03
      3.448065E+02          -7.814000E-03
      1.558999E+02          -1.437200E-02
      7.223091E+01          -1.638300E-02
      3.272506E+01           5.643000E-03
      1.566762E+01           7.122100E-02
      7.503483E+00           1.078000E-01
      3.312223E+00          -4.426200E-02
      1.558471E+00          -2.259990E-01
      6.839140E-01          -2.376280E-01
      1.467570E-01           2.977800E-01
      7.058300E-02           5.654970E-01
Fe    S
      3.144900E-02           1.000000E+00
Fe    P
      1.774569E+04           1.230000E-04
      4.200721E+03           5.660000E-04
      1.364429E+03           2.608000E-03
      5.220806E+02           1.029500E-02
      2.214595E+02           3.475100E-02
      1.009096E+02           9.669000E-02
      4.840115E+01           2.100300E-01
      2.398536E+01           3.324570E-01
      1.218250E+01           3.307710E-01
      6.242298E+00           1.547330E-01
      3.110944E+00           2.096400E-02
      1.509958E+00          -2.346000E-03
      7.108450E-01          -1.854000E-03
      2.725980E-01          -3.170000E-04
      1.039720E-01           3.000000E-05
Fe    P
      1.774569E+04          -4.300000E-05
      4.200721E+03          -2.000000E-04
      1.364429E+03          -9.230000E-04
      5.220806E+02          -3.668000E-03
      2.214595E+02          -1.253900E-02
      1.009096E+02          -3.584800E-02
      4.840115E+01          -8.082200E-02
      2.398536E+01          -1.346970E-01
      1.218250E+01          -1.369120E-01
      6.242298E+00           3.371300E-02
      3.110944E+00           3.356700E-01
      1.509958E+00           4.554960E-01
      7.108450E-01           2.817600E-01
      2.725980E-01           4.515000E-02
      1.039720E-01          -3.165000E-03
Fe    P
      1.774569E+04           1.400000E-05
      4.200721E+03           6.600000E-05
      1.364429E+03           3.030000E-04
      5.220806E+02           1.219000E-03
      2.214595E+02           4.120000E-03
      1.009096E+02           1.195300E-02
      4.840115E+01           2.662000E-02
      2.398536E+01           4.569900E-02
      1.218250E+01           4.503300E-02
      6.242298E+00          -1.301100E-02
      3.110944E+00          -1.413750E-01
      1.509958E+00          -1.941480E-01
      7.108450E-01          -1.017700E-01
      2.725980E-01           4.678640E-01
      1.039720E-01           6.242180E-01
Fe    P
      1.774569E+04           9.000000E-06
      4.200721E+03           4.400000E-05
      1.364429E+03           2.010000E-04
      5.220806E+02           8.000000E-04
      2.214595E+02           2.738000E-03
      1.009096E+02           7.848000E-03
      4.840115E+01           1.773900E-02
      2.398536E+01           2.974900E-02
      1.218250E+01           3.038900E-02
      6.242298E+00          -1.076500E-02
      3.110944E+00          -8.768900E-02
      1.509958E+00          -1.284700E-01
      7.108450E-01          -7.399600E-02
      2.725980E-01           2.154550E-01
      1.039720E-01           5.720050E-01
Fe    P
      3.816600E-02           1.000000E+00
Fe    D
      1.148840E+02           3.532000E-03
      3.388780E+01           2.555000E-02
      1.237300E+01           9.835700E-02
      4.999250E+00           2.379190E-01
      2.070430E+00           3.565390E-01
      8.281830E-01           3.628480E-01
      3.075470E-01           2.388030E-01
Fe    D
      1.148840E+02          -3.896000E-03
      3.388780E+01          -2.820700E-02
      1.237300E+01          -1.115730E-01
      4.999250E+00          -2.728390E-01
      2.070430E+00          -3.171520E-01
      8.281830E-01           5.206200E-02
      3.075470E-01           5.612690E-01
Fe    D
      9.945500E-02           1.000000E+00
Fe    F
      3.224300E+00           4.222490E-01
      7.758000E-01           7.714680E-01
end
basis "Co_cc-pVDZ-DK" SPHERICAL 
#basis SET: (96s,61p,15d,2f) -> [6s,5p,3d,1f]
Co    S
      4.675675E+06           1.460000E-04
      7.001615E+05           4.220000E-04
      1.593373E+05           1.157000E-03
      4.513046E+04           2.982000E-03
      1.472238E+04           7.695000E-03
      5.314222E+03           1.995300E-02
      2.072018E+03           5.071700E-02
      8.586188E+02           1.182300E-01
      3.735497E+02           2.298040E-01
      1.689229E+02           3.172830E-01
      7.829639E+01           2.323250E-01
      3.552123E+01           7.486300E-02
      1.704144E+01           9.464900E-02
      8.173000E+00           9.162500E-02
      3.610318E+00           1.466000E-02
      1.697047E+00          -4.140000E-04
      7.435320E-01           5.000000E-06
      1.583440E-01          -2.800000E-05
      7.503600E-02           2.900000E-05
Co    S
      4.675675E+06          -7.700000E-05
      7.001615E+05          -2.220000E-04
      1.593373E+05          -6.100000E-04
      4.513046E+04          -1.576000E-03
      1.472238E+04          -4.085000E-03
      5.314222E+03          -1.067800E-02
      2.072018E+03          -2.761300E-02
      8.586188E+02          -6.681600E-02
      3.735497E+02          -1.409790E-01
      1.689229E+02          -2.329210E-01
      7.829639E+01          -2.320460E-01
      3.552123E+01           4.655300E-02
      1.704144E+01           5.169650E-01
      8.173000E+00           4.848400E-01
      3.610318E+00           8.328900E-02
      1.697047E+00          -5.811000E-03
      7.435320E-01          -5.400000E-05
      1.583440E-01          -4.680000E-04
      7.503600E-02           3.890000E-04
Co    S
      4.675675E+06           1.800000E-05
      7.001615E+05           5.200000E-05
      1.593373E+05           1.420000E-04
      4.513046E+04           3.670000E-04
      1.472238E+04           9.540000E-04
      5.314222E+03           2.512000E-03
      2.072018E+03           6.564000E-03
      8.586188E+02           1.633100E-02
      3.735497E+02           3.618600E-02
      1.689229E+02           6.635200E-02
      7.829639E+01           7.534300E-02
      3.552123E+01          -2.648700E-02
      1.704144E+01          -3.148050E-01
      8.173000E+00          -4.467120E-01
      3.610318E+00           1.601200E-01
      1.697047E+00           7.213240E-01
      7.435320E-01           3.823570E-01
      1.583440E-01           1.818800E-02
      7.503600E-02          -6.415000E-03
Co    S
      4.675675E+06          -7.000000E-06
      7.001615E+05          -2.200000E-05
      1.593373E+05          -5.900000E-05
      4.513046E+04          -1.550000E-04
      1.472238E+04          -3.910000E-04
      5.314222E+03          -1.081000E-03
      2.072018E+03          -2.638000E-03
      8.586188E+02          -7.186000E-03
      3.735497E+02          -1.414100E-02
      1.689229E+02          -3.080100E-02
      7.829639E+01          -2.503000E-02
      3.552123E+01          -6.499000E-03
      1.704144E+01           1.848310E-01
      8.173000E+00           1.464850E-01
      3.610318E+00           3.025500E-02
      1.697047E+00          -9.422380E-01
      7.435320E-01           3.006350E-01
      1.583440E-01           1.741418E+00
      7.503600E-02          -8.549780E-01
Co    S
      4.675675E+06          -4.000000E-06
      7.001615E+05          -1.100000E-05
      1.593373E+05          -3.000000E-05
      4.513046E+04          -7.800000E-05
      1.472238E+04          -2.040000E-04
      5.314222E+03          -5.360000E-04
      2.072018E+03          -1.402000E-03
      8.586188E+02          -3.490000E-03
      3.735497E+02          -7.740000E-03
      1.689229E+02          -1.424000E-02
      7.829639E+01          -1.622700E-02
      3.552123E+01           5.692000E-03
      1.704144E+01           7.113600E-02
      8.173000E+00           1.054210E-01
      3.610318E+00          -4.618700E-02
      1.697047E+00          -2.220020E-01
      7.435320E-01          -2.286240E-01
      1.583440E-01           2.913320E-01
      7.503600E-02           5.630580E-01
Co    S
      3.309100E-02           1.000000E+00
Co    P
      1.926778E+04           1.300000E-04
      4.560986E+03           5.820000E-04
      1.481436E+03           2.648000E-03
      5.668671E+02           1.038100E-02
      2.404910E+02           3.496300E-02
      1.096105E+02           9.722900E-02
      5.259491E+01           2.112480E-01
      2.608361E+01           3.338520E-01
      1.326143E+01           3.297510E-01
      6.799778E+00           1.522940E-01
      3.393414E+00           2.026500E-02
      1.648766E+00          -2.285000E-03
      7.762820E-01          -1.811000E-03
      2.972090E-01          -2.960000E-04
      1.133520E-01           2.800000E-05
Co    P
      1.926778E+04          -4.600000E-05
      4.560986E+03          -2.080000E-04
      1.481436E+03          -9.470000E-04
      5.668671E+02          -3.738000E-03
      2.404910E+02          -1.275000E-02
      1.096105E+02          -3.644700E-02
      5.259491E+01          -8.223500E-02
      2.608361E+01          -1.369990E-01
      1.326143E+01          -1.371210E-01
      6.799778E+00           3.932100E-02
      3.393414E+00           3.412260E-01
      1.648766E+00           4.536340E-01
      7.762820E-01           2.761140E-01
      2.972090E-01           4.366500E-02
      1.133520E-01          -3.070000E-03
Co    P
      1.926778E+04           1.600000E-05
      4.560986E+03           7.200000E-05
      1.481436E+03           3.260000E-04
      5.668671E+02           1.298000E-03
      2.404910E+02           4.392000E-03
      1.096105E+02           1.270000E-02
      5.259491E+01           2.842400E-02
      2.608361E+01           4.853300E-02
      1.326143E+01           4.775200E-02
      6.799778E+00          -1.665200E-02
      3.393414E+00          -1.536670E-01
      1.648766E+00          -2.056630E-01
      7.762820E-01          -7.218000E-02
      2.972090E-01           4.831410E-01
      1.133520E-01           5.994720E-01
Co    P
      1.926778E+04          -1.000000E-05
      4.560986E+03          -4.600000E-05
      1.481436E+03          -2.090000E-04
      5.668671E+02          -8.250000E-04
      2.404910E+02          -2.817000E-03
      1.096105E+02          -8.068000E-03
      5.259491E+01          -1.826800E-02
      2.608361E+01          -3.058600E-02
      1.326143E+01          -3.088300E-02
      6.799778E+00           1.230300E-02
      3.393414E+00           9.043100E-02
      1.648766E+00           1.308200E-01
      7.762820E-01           6.921100E-02
      2.972090E-01          -2.248820E-01
      1.133520E-01          -5.696560E-01
Co    P
      4.151000E-02           1.000000E+00
Co    D
      1.283920E+02           3.505000E-03
      3.789380E+01           2.558300E-02
      1.387980E+01           9.908400E-02
      5.625440E+00           2.391390E-01
      2.335390E+00           3.561510E-01
      9.351920E-01           3.604140E-01
      3.469530E-01           2.392120E-01
Co    D
      1.283920E+02          -4.065000E-03
      3.789380E+01          -2.972900E-02
      1.387980E+01          -1.184660E-01
      5.625440E+00          -2.897200E-01
      2.335390E+00          -3.203480E-01
      9.351920E-01           8.568000E-02
      3.469530E-01           5.591230E-01
Co    D
      1.117230E-01           1.000000E+00
Co    F
      3.772400E+00           4.239660E-01
      9.170000E-01           7.684290E-01
end
basis "Ni_cc-pVDZ-DK" SPHERICAL 
#basis SET: (96s,61p,15d,2f) -> [6s,5p,3d,1f]
Ni    S
      5.045991E+06           1.570000E-04
      7.556142E+05           4.530000E-04
      1.719568E+05           1.237000E-03
      4.870479E+04           3.165000E-03
      1.588841E+04           8.095000E-03
      5.735123E+03           2.080400E-02
      2.236137E+03           5.253400E-02
      9.266468E+02           1.221290E-01
      4.031743E+02           2.376390E-01
      1.823476E+02           3.303120E-01
      8.454885E+01           2.459140E-01
      3.839634E+01           7.227600E-02
      1.845859E+01           6.351200E-02
      8.863548E+00           6.188400E-02
      3.916227E+00           9.400000E-03
      1.838870E+00          -2.190000E-04
      8.043620E-01          -7.900000E-05
      1.697970E-01          -5.000000E-06
      7.930600E-02           3.000000E-06
Ni    S
      5.045991E+06          -7.100000E-05
      7.556142E+05          -2.060000E-04
      1.719568E+05          -5.620000E-04
      4.870479E+04          -1.442000E-03
      1.588841E+04          -3.706000E-03
      5.735123E+03          -9.611000E-03
      2.236137E+03          -2.473600E-02
      9.266468E+02          -5.990300E-02
      4.031743E+02          -1.273860E-01
      1.823476E+02          -2.141810E-01
      8.454885E+01          -2.183240E-01
      3.839634E+01           5.259800E-02
      1.845859E+01           5.249320E-01
      8.863548E+00           4.880070E-01
      3.916227E+00           8.248400E-02
      1.838870E+00          -6.795000E-03
      8.043620E-01          -6.430000E-04
      1.697970E-01          -4.920000E-04
      7.930600E-02           3.540000E-04
Ni    S
      5.045991E+06           1.900000E-05
      7.556142E+05           5.400000E-05
      1.719568E+05           1.480000E-04
      4.870479E+04           3.810000E-04
      1.588841E+04           9.810000E-04
      5.735123E+03           2.559000E-03
      2.236137E+03           6.641000E-03
      9.266468E+02           1.646000E-02
      4.031743E+02           3.641900E-02
      1.823476E+02           6.673200E-02
      8.454885E+01           7.573900E-02
      3.839634E+01          -2.751000E-02
      1.845859E+01          -3.190460E-01
      8.863548E+00          -4.449190E-01
      3.916227E+00           1.724220E-01
      1.838870E+00           7.155720E-01
      8.043620E-01           3.791720E-01
      1.697970E-01           1.993600E-02
      7.930600E-02          -7.476000E-03
Ni    S
      5.045991E+06          -8.000000E-06
      7.556142E+05          -2.300000E-05
      1.719568E+05          -6.200000E-05
      4.870479E+04          -1.630000E-04
      1.588841E+04          -4.080000E-04
      5.735123E+03          -1.112000E-03
      2.236137E+03          -2.709000E-03
      9.266468E+02          -7.309000E-03
      4.031743E+02          -1.446500E-02
      1.823476E+02          -3.118200E-02
      8.454885E+01          -2.583500E-02
      3.839634E+01          -5.347000E-03
      1.845859E+01           1.860150E-01
      8.863548E+00           1.546580E-01
      3.916227E+00           1.149700E-02
      1.838870E+00          -9.445660E-01
      8.043620E-01           3.343100E-01
      1.697970E-01           1.641871E+00
      7.930600E-02          -7.399980E-01
Ni    S
      5.045991E+06          -4.000000E-06
      7.556142E+05          -1.100000E-05
      1.719568E+05          -3.100000E-05
      4.870479E+04          -8.100000E-05
      1.588841E+04          -2.080000E-04
      5.735123E+03          -5.430000E-04
      2.236137E+03          -1.408000E-03
      9.266468E+02          -3.493000E-03
      4.031743E+02          -7.733000E-03
      1.823476E+02          -1.422300E-02
      8.454885E+01          -1.618100E-02
      3.839634E+01           5.841000E-03
      1.845859E+01           7.157900E-02
      8.863548E+00           1.037370E-01
      3.916227E+00          -4.831500E-02
      1.838870E+00          -2.193040E-01
      8.043620E-01          -2.208170E-01
      1.697970E-01           2.869700E-01
      7.930600E-02           5.599800E-01
Ni    S
      3.467700E-02           1.000000E+00
Ni    P
      2.102792E+04           1.350000E-04
      4.977560E+03           5.920000E-04
      1.616740E+03           2.656000E-03
      6.186718E+02           1.033700E-02
      2.625183E+02           3.475200E-02
      1.196907E+02           9.670400E-02
      5.746585E+01           2.106590E-01
      2.852829E+01           3.338280E-01
      1.452148E+01           3.302200E-01
      7.453850E+00           1.528010E-01
      3.723553E+00           2.014900E-02
      1.809813E+00          -2.709000E-03
      8.513360E-01          -2.110000E-03
      3.234058E-01          -3.520000E-04
      1.190210E-01           3.600000E-05
Ni    P
      2.102792E+04          -4.800000E-05
      4.977560E+03          -2.120000E-04
      1.616740E+03          -9.520000E-04
      6.186718E+02          -3.733000E-03
      2.625183E+02          -1.270700E-02
      1.196907E+02          -3.637100E-02
      5.746585E+01          -8.228200E-02
      2.852829E+01          -1.376490E-01
      1.452148E+01          -1.371660E-01
      7.453850E+00           4.028700E-02
      3.723553E+00           3.422120E-01
      1.809813E+00           4.496570E-01
      8.513360E-01           2.777700E-01
      3.234058E-01           4.641500E-02
      1.190210E-01          -2.949000E-03
Ni    P
      2.102792E+04           2.000000E-05
      4.977560E+03           8.800000E-05
      1.616740E+03           3.950000E-04
      6.186718E+02           1.556000E-03
      2.625183E+02           5.282000E-03
      1.196907E+02           1.521300E-02
      5.746585E+01           3.437300E-02
      2.852829E+01           5.843400E-02
      1.452148E+01           5.896900E-02
      7.453850E+00          -2.293700E-02
      3.723553E+00          -1.978840E-01
      1.809813E+00          -2.473250E-01
      8.513360E-01           9.569000E-03
      3.234058E-01           5.450030E-01
      1.190210E-01           5.235180E-01
Ni    P
      2.102792E+04           1.000000E-05
      4.977560E+03           4.300000E-05
      1.616740E+03           1.930000E-04
      6.186718E+02           7.600000E-04
      2.625183E+02           2.582000E-03
      1.196907E+02           7.428000E-03
      5.746585E+01           1.679800E-02
      2.852829E+01           2.839500E-02
      1.452148E+01           2.816200E-02
      7.453850E+00          -1.114600E-02
      3.723553E+00          -8.334900E-02
      1.809813E+00          -1.160880E-01
      8.513360E-01          -7.006000E-02
      3.234058E-01           1.995030E-01
      1.190210E-01           5.660100E-01
Ni    P
      4.216200E-02           1.000000E+00
Ni    D
      1.425904E+02           3.389000E-03
      4.210219E+01           2.492800E-02
      1.546337E+01           9.705600E-02
      6.283810E+00           2.338120E-01
      2.614170E+00           3.466580E-01
      1.048020E+00           3.517990E-01
      3.886520E-01           2.521850E-01
Ni    D
      1.425904E+02          -3.527000E-03
      4.210219E+01          -2.594700E-02
      1.546337E+01          -1.036600E-01
      6.283810E+00          -2.523870E-01
      2.614170E+00          -2.967270E-01
      1.048020E+00          -5.790000E-04
      3.886520E-01           4.403890E-01
Ni    D
      1.246640E-01           1.000000E+00
Ni    F
      4.345500E+00           4.174290E-01
      1.068000E+00           7.714830E-01
end
basis "Cu_cc-pVDZ-DK" SPHERICAL 
#basis SET: (96s,61p,15d,2f) -> [6s,5p,3d,1f]
Cu    S
      5.430321E+06           1.580000E-04
      8.131665E+05           4.520000E-04
      1.850544E+05           1.229000E-03
      5.241466E+04           3.120000E-03
      1.709868E+04           7.912000E-03
      6.171994E+03           2.014200E-02
      2.406481E+03           5.046200E-02
      9.972584E+02           1.166160E-01
      4.339289E+02           2.255430E-01
      1.962869E+02           3.101520E-01
      9.104280E+01           2.261390E-01
      4.138425E+01           7.699200E-02
      1.993278E+01           1.087550E-01
      9.581891E+00           1.029690E-01
      4.234516E+00           1.629900E-02
      1.985814E+00          -5.390000E-04
      8.670830E-01          -2.000000E-06
      1.813390E-01          -3.800000E-05
      8.365700E-02           2.600000E-05
Cu    S
      5.430321E+06          -8.900000E-05
      8.131665E+05          -2.550000E-04
      1.850544E+05          -6.940000E-04
      5.241466E+04          -1.766000E-03
      1.709868E+04          -4.498000E-03
      6.171994E+03          -1.154500E-02
      2.406481E+03          -2.941800E-02
      9.972584E+02          -7.051700E-02
      4.339289E+02          -1.477880E-01
      1.962869E+02          -2.423800E-01
      9.104280E+01          -2.390600E-01
      4.138425E+01           4.769300E-02
      1.993278E+01           5.194670E-01
      9.581891E+00           4.781070E-01
      4.234516E+00           8.055800E-02
      1.985814E+00          -5.628000E-03
      8.670830E-01          -7.200000E-05
      1.813390E-01          -4.330000E-04
      8.365700E-02           3.080000E-04
Cu    S
      5.430321E+06           2.000000E-05
      8.131665E+05           5.700000E-05
      1.850544E+05           1.560000E-04
      5.241466E+04           3.990000E-04
      1.709868E+04           1.019000E-03
      6.171994E+03           2.636000E-03
      2.406481E+03           6.792000E-03
      9.972584E+02           1.677200E-02
      4.339289E+02           3.702400E-02
      1.962869E+02           6.783200E-02
      9.104280E+01           7.676800E-02
      4.138425E+01          -2.858800E-02
      1.993278E+01          -3.262330E-01
      9.581891E+00          -4.451460E-01
      4.234516E+00           1.815320E-01
      1.985814E+00           7.219160E-01
      8.670830E-01           3.686320E-01
      1.813390E-01           1.639500E-02
      8.365700E-02          -5.526000E-03
Cu    S
      5.430321E+06          -8.000000E-06
      8.131665E+05          -2.200000E-05
      1.850544E+05          -5.900000E-05
      5.241466E+04          -1.520000E-04
      1.709868E+04          -3.780000E-04
      6.171994E+03          -1.018000E-03
      2.406481E+03          -2.473000E-03
      9.972584E+02          -6.614000E-03
      4.339289E+02          -1.315200E-02
      1.962869E+02          -2.808300E-02
      9.104280E+01          -2.366100E-02
      4.138425E+01          -3.658000E-03
      1.993278E+01           1.674510E-01
      9.581891E+00           1.378490E-01
      4.234516E+00           1.695000E-03
      1.985814E+00          -7.988610E-01
      8.670830E-01           2.036390E-01
      1.813390E-01           1.549691E+00
      8.365700E-02          -4.950240E-01
Cu    S
      5.430321E+06          -4.000000E-06
      8.131665E+05          -1.200000E-05
      1.850544E+05          -3.200000E-05
      5.241466E+04          -8.200000E-05
      1.709868E+04          -2.080000E-04
      6.171994E+03          -5.390000E-04
      2.406481E+03          -1.388000E-03
      9.972584E+02          -3.430000E-03
      4.339289E+02          -7.579000E-03
      1.962869E+02          -1.393400E-02
      9.104280E+01          -1.582500E-02
      4.138425E+01           5.891000E-03
      1.993278E+01           7.064800E-02
      9.581891E+00           1.003460E-01
      4.234516E+00          -4.946100E-02
      1.985814E+00          -2.136180E-01
      8.670830E-01          -2.122030E-01
      1.813390E-01           2.812990E-01
      8.365700E-02           5.560680E-01
Cu    S
      3.626700E-02           1.000000E+00
Cu    P
      2.276057E+04           1.410000E-04
      5.387679E+03           6.050000E-04
      1.749945E+03           2.684000E-03
      6.696653E+02           1.037000E-02
      2.841948E+02           3.477600E-02
      1.296077E+02           9.672600E-02
      6.225415E+01           2.108770E-01
      3.092964E+01           3.341900E-01
      1.575827E+01           3.295570E-01
      8.094211E+00           1.519250E-01
      4.046921E+00           2.050700E-02
      1.967869E+00          -1.966000E-03
      9.252950E-01          -1.631000E-03
      3.510930E-01          -2.570000E-04
      1.267990E-01           2.500000E-05
Cu    P
      2.276057E+04          -5.100000E-05
      5.387679E+03          -2.200000E-04
      1.749945E+03          -9.770000E-04
      6.696653E+02          -3.803000E-03
      2.841948E+02          -1.291600E-02
      1.296077E+02          -3.695200E-02
      6.225415E+01          -8.370900E-02
      3.092964E+01          -1.400770E-01
      1.575827E+01          -1.384230E-01
      8.094211E+00           4.348600E-02
      4.046921E+00           3.460780E-01
      1.967869E+00           4.512300E-01
      9.252950E-01           2.726370E-01
      3.510930E-01           4.246400E-02
      1.267990E-01          -2.769000E-03
Cu    P
      2.276057E+04           1.900000E-05
      5.387679E+03           8.300000E-05
      1.749945E+03           3.680000E-04
      6.696653E+02           1.447000E-03
      2.841948E+02           4.866000E-03
      1.296077E+02           1.412100E-02
      6.225415E+01           3.164000E-02
      3.092964E+01           5.456700E-02
      1.575827E+01           5.304500E-02
      8.094211E+00          -1.994600E-02
      4.046921E+00          -1.835090E-01
      1.967869E+00          -2.173260E-01
      9.252950E-01          -2.821700E-02
      3.510930E-01           5.289300E-01
      1.267990E-01           5.575620E-01
Cu    P
      2.276057E+04           1.000000E-05
      5.387679E+03           4.300000E-05
      1.749945E+03           1.900000E-04
      6.696653E+02           7.430000E-04
      2.841948E+02           2.515000E-03
      1.296077E+02           7.246000E-03
      6.225415E+01           1.637500E-02
      3.092964E+01           2.778100E-02
      1.575827E+01           2.712000E-02
      8.094211E+00          -1.122600E-02
      4.046921E+00          -8.147400E-02
      1.967869E+00          -1.106180E-01
      9.252950E-01          -6.866900E-02
      3.510930E-01           1.921350E-01
      1.267990E-01           5.631450E-01
Cu    P
      4.416200E-02           1.000000E+00
Cu    D
      1.776850E+02           2.709000E-03
      5.254040E+01           2.068500E-02
      1.947690E+01           8.362600E-02
      8.001460E+00           2.129230E-01
      3.398920E+00           3.355660E-01
      1.405380E+00           3.581080E-01
      5.453300E-01           2.664410E-01
Cu    D
      1.776850E+02          -3.377000E-03
      5.254040E+01          -2.581900E-02
      1.947690E+01          -1.072400E-01
      8.001460E+00          -2.805410E-01
      3.398920E+00          -3.487320E-01
      1.405380E+00           2.160900E-02
      5.453300E-01           4.916130E-01
Cu    D
      1.881100E-01           1.000000E+00
Cu    F
      5.028600E+00           4.242800E-01
      1.259400E+00           7.630250E-01
end
basis "Zn_cc-pVDZ-DK" SPHERICAL 
#basis SET: (96s,61p,15d,2f) -> [6s,5p,3d,1f]
Zn    S
      5.820021E+06           1.810000E-04
      8.715234E+05           5.170000E-04
      1.983350E+05           1.398000E-03
      5.617631E+04           3.527000E-03
      1.832582E+04           8.875000E-03
      6.614955E+03           2.241900E-02
      2.579199E+03           5.587300E-02
      1.068849E+03           1.290790E-01
      4.651045E+02           2.514150E-01
      2.104130E+02           3.533410E-01
      9.761629E+01           2.703150E-01
      4.438020E+01           6.522200E-02
      2.142308E+01          -1.233000E-03
      1.030891E+01           1.795000E-03
      4.553645E+00          -8.220000E-04
      2.132821E+00           3.480000E-04
      9.296970E-01          -1.310000E-04
      1.921470E-01           4.400000E-05
      8.759500E-02          -3.400000E-05
Zn    S
      5.820021E+06          -5.700000E-05
      8.715234E+05          -1.630000E-04
      1.983350E+05          -4.420000E-04
      5.617631E+04          -1.119000E-03
      1.832582E+04          -2.835000E-03
      6.614955E+03          -7.251000E-03
      2.579199E+03          -1.853100E-02
      1.068849E+03          -4.514100E-02
      4.651045E+02          -9.830600E-02
      2.104130E+02          -1.733870E-01
      9.761629E+01          -1.868340E-01
      4.438020E+01           6.522900E-02
      2.142308E+01           5.320160E-01
      1.030891E+01           4.835280E-01
      4.553645E+00           8.157300E-02
      2.132821E+00          -1.695000E-03
      9.296970E-01           1.829000E-03
      1.921470E-01          -3.330000E-04
      8.759500E-02           2.590000E-04
Zn    S
      5.820021E+06           2.200000E-05
      8.715234E+05           6.200000E-05
      1.983350E+05           1.680000E-04
      5.617631E+04           4.250000E-04
      1.832582E+04           1.075000E-03
      6.614955E+03           2.759000E-03
      2.579199E+03           7.058000E-03
      1.068849E+03           1.735900E-02
      4.651045E+02           3.819600E-02
      2.104130E+02           6.986600E-02
      9.761629E+01           7.856900E-02
      4.438020E+01          -3.047700E-02
      2.142308E+01          -3.364460E-01
      1.030891E+01          -4.468440E-01
      4.553645E+00           1.925050E-01
      2.132821E+00           7.303950E-01
      9.296970E-01           3.557030E-01
      1.921470E-01           1.169800E-02
      8.759500E-02          -5.135000E-03
Zn    S
      5.820021E+06          -1.200000E-05
      8.715234E+05          -3.400000E-05
      1.983350E+05          -9.200000E-05
      5.617631E+04          -2.360000E-04
      1.832582E+04          -5.790000E-04
      6.614955E+03          -1.567000E-03
      2.579199E+03          -3.711000E-03
      1.068849E+03          -1.013700E-02
      4.651045E+02          -1.944100E-02
      2.104130E+02          -4.350900E-02
      9.761629E+01          -3.289700E-02
      4.438020E+01          -1.165400E-02
      2.142308E+01           2.749530E-01
      1.030891E+01           1.925200E-01
      4.553645E+00          -3.356800E-02
      2.132821E+00          -1.373744E+00
      9.296970E-01           8.944720E-01
      1.921470E-01           1.652740E+00
      8.759500E-02          -1.422437E+00
Zn    S
      5.820021E+06           4.000000E-06
      8.715234E+05           1.300000E-05
      1.983350E+05           3.400000E-05
      5.617631E+04           8.600000E-05
      1.832582E+04           2.180000E-04
      6.614955E+03           5.590000E-04
      2.579199E+03           1.429000E-03
      1.068849E+03           3.527000E-03
      4.651045E+02           7.743000E-03
      2.104130E+02           1.430600E-02
      9.761629E+01           1.600200E-02
      4.438020E+01          -5.993000E-03
      2.142308E+01          -7.373400E-02
      1.030891E+01          -9.999000E-02
      4.553645E+00           5.031900E-02
      2.132821E+00           2.265840E-01
      9.296970E-01           2.085750E-01
      1.921470E-01          -3.426590E-01
      8.759500E-02          -5.537360E-01
Zn    S
      3.770200E-02           1.000000E+00
Zn    P
      2.441198E+04           1.480000E-04
      5.778518E+03           6.240000E-04
      1.876862E+03           2.734000E-03
      7.182361E+02           1.048400E-02
      3.048327E+02           3.505300E-02
      1.390453E+02           9.733000E-02
      6.680417E+01           2.119030E-01
      3.320699E+01           3.346760E-01
      1.692816E+01           3.270750E-01
      8.696229E+00           1.493830E-01
      4.350510E+00           2.238700E-02
      2.116523E+00           1.556000E-03
      9.953870E-01           4.640000E-04
      3.756390E-01           6.300000E-05
      1.338850E-01          -1.000000E-06
Zn    P
      2.441198E+04          -5.600000E-05
      5.778518E+03          -2.340000E-04
      1.876862E+03          -1.030000E-03
      7.182361E+02          -3.978000E-03
      3.048327E+02          -1.347200E-02
      1.390453E+02          -3.846600E-02
      6.680417E+01          -8.702400E-02
      3.320699E+01          -1.450960E-01
      1.692816E+01          -1.409790E-01
      8.696229E+00           4.872900E-02
      4.350510E+00           3.525240E-01
      2.116523E+00           4.523900E-01
      9.953870E-01           2.638190E-01
      3.756390E-01           3.756800E-02
      1.338850E-01          -2.473000E-03
Zn    P
      2.441198E+04           1.800000E-05
      5.778518E+03           7.500000E-05
      1.876862E+03           3.250000E-04
      7.182361E+02           1.280000E-03
      3.048327E+02           4.243000E-03
      1.390453E+02           1.244600E-02
      6.680417E+01           2.746400E-02
      3.320699E+01           4.819100E-02
      1.692816E+01           4.394600E-02
      8.696229E+00          -1.632500E-02
      4.350510E+00          -1.593140E-01
      2.116523E+00          -1.756920E-01
      9.953870E-01          -7.478100E-02
      3.756390E-01           4.845400E-01
      1.338850E-01           6.147430E-01
Zn    P
      2.441198E+04           1.000000E-05
      5.778518E+03           4.300000E-05
      1.876862E+03           1.900000E-04
      7.182361E+02           7.360000E-04
      3.048327E+02           2.484000E-03
      1.390453E+02           7.154000E-03
      6.680417E+01           1.613800E-02
      3.320699E+01           2.735100E-02
      1.692816E+01           2.612600E-02
      8.696229E+00          -1.204900E-02
      4.350510E+00          -8.031200E-02
      2.116523E+00          -1.062960E-01
      9.953870E-01          -6.556100E-02
      3.756390E-01           1.890660E-01
      1.338850E-01           5.603730E-01
Zn    P
      4.602300E-02           1.000000E+00
Zn    D
      2.109473E+02           2.353000E-03
      6.239151E+01           1.838400E-02
      2.326482E+01           7.627300E-02
      9.623342E+00           2.008410E-01
      4.139418E+00           3.289980E-01
      1.744079E+00           3.618560E-01
      6.953250E-01           2.736090E-01
Zn    D
      2.109473E+02           3.289000E-03
      6.239151E+01           2.582700E-02
      2.326482E+01           1.099330E-01
      9.623342E+00           3.017170E-01
      4.139418E+00           3.873400E-01
      1.744079E+00          -5.039100E-02
      6.953250E-01          -5.385100E-01
Zn    D
      2.487240E-01           1.000000E+00
Zn    F
      5.734400E+00           4.311320E-01
      1.461500E+00           7.546420E-01
end
basis "Ga_cc-pVDZ-DK" SPHERICAL 
#basis SET: (53s,31p,6d) -> [5s,4p,2d]
Ga    S
 485130.0000000              0.0013097
  72719.0000000              0.0042304
  16552.0000000              0.0135763
   4687.8000000              0.0420738
   1529.1000000              0.1209279
    551.8100000              0.2811356
    215.1800000              0.4145769
     88.1740000              0.2627881
     27.1540000              0.0267308
     11.5030000             -0.0059120
      3.3018000              0.0019289
      1.3314000             -0.0008685
      0.1931600              0.0002129
Ga    S
 485130.0000000             -0.0004160
  72719.0000000             -0.0013449
  16552.0000000             -0.0043931
   4687.8000000             -0.0136663
   1529.1000000             -0.0422161
    551.8100000             -0.1060421
    215.1800000             -0.2173004
     88.1740000             -0.1557063
     27.1540000              0.5087565
     11.5030000              0.6055109
      3.3018000              0.0630324
      1.3314000             -0.0111518
      0.1931600              0.0025222
Ga    S
 485130.0000000              0.0001593
  72719.0000000              0.0005160
  16552.0000000              0.0016807
   4687.8000000              0.0052800
   1529.1000000              0.0162205
    551.8100000              0.0420676
    215.1800000              0.0870166
     88.1740000              0.0713209
     27.1540000             -0.3166603
     11.5030000             -0.5016645
      3.3018000              0.6231687
      1.3314000              0.6387462
      0.1931600              0.0241123
Ga    S
 485130.0000000             -0.0000373
  72719.0000000             -0.0001210
  16552.0000000             -0.0003938
   4687.8000000             -0.0012403
   1529.1000000             -0.0038013
    551.8100000             -0.0099195
    215.1800000             -0.0204949
     88.1740000             -0.0171910
     27.1540000              0.0794842
     11.5030000              0.1308055
      3.3018000             -0.2053080
      1.3314000             -0.3400769
      0.1931600              0.6684935
Ga    S
      0.0708950              1.0000000
Ga    P
   3248.6000000              0.0023193
    769.9700000              0.0145804
    248.2000000              0.0671577
     93.3640000              0.2108447
     38.2510000              0.4100132
     16.4220000              0.3869628
      6.7918000              0.1003698
      2.8336000             -0.0007023
      1.1062000              0.0020240
      0.2225000             -0.0003111
Ga    P
   3248.6000000             -0.0008874
    769.9700000             -0.0056024
    248.2000000             -0.0265035
     93.3640000             -0.0863366
     38.2510000             -0.1810175
     16.4220000             -0.1540846
      6.7918000              0.2426971
      2.8336000              0.5825372
      1.1062000              0.3291624
      0.2225000              0.0166177
Ga    P
   3248.6000000              0.0001465
    769.9700000              0.0009118
    248.2000000              0.0044053
     93.3640000              0.0140793
     38.2510000              0.0307873
     16.4220000              0.0234476
      6.7918000             -0.0438040
      2.8336000             -0.1293398
      1.1062000             -0.0452572
      0.2225000              0.4589807
Ga    P
      0.0617720              1.0000000
Ga    D
     65.3370000              0.0276056
     18.4970000              0.1504624
      6.3150000              0.3718798
      2.1635000              0.4767142
      0.6667500              0.2888317
Ga    D
      0.1884000              1.0000000
end
basis "Ge_cc-pVDZ-DK" SPHERICAL 
#basis SET: (53s,31p,6d) -> [5s,4p,2d]
Ge    S
 521800.0000000              0.0013545
  78214.0000000              0.0043368
  17803.0000000              0.0137737
   5041.9000000              0.0422244
   1644.5000000              0.1205387
    593.4300000              0.2797639
    231.3600000              0.4140442
     94.7620000              0.2647524
     29.2740000              0.0274127
     12.4500000             -0.0061635
      3.6463000              0.0020898
      1.5025000             -0.0009682
      0.2450300              0.0002513
Ge    S
 521800.0000000             -0.0004324
  78214.0000000             -0.0013859
  17803.0000000             -0.0044796
   5041.9000000             -0.0137917
   1644.5000000             -0.0422959
    593.4300000             -0.1060358
    231.3600000             -0.2174391
     94.7620000             -0.1574393
     29.2740000              0.5053577
     12.4500000              0.6069460
      3.6463000              0.0661739
      1.5025000             -0.0119469
      0.2450300              0.0028039
Ge    S
 521800.0000000              0.0001673
  78214.0000000              0.0005371
  17803.0000000              0.0017323
   5041.9000000              0.0053821
   1644.5000000              0.0164333
    593.4300000              0.0424735
    231.3600000              0.0881323
     94.7620000              0.0725513
     29.2740000             -0.3179483
     12.4500000             -0.5102875
      3.6463000              0.6035804
      1.5025000              0.6585984
      0.2450300              0.0275822
Ge    S
 521800.0000000             -0.0000431
  78214.0000000             -0.0001385
  17803.0000000             -0.0004464
   5041.9000000             -0.0013896
   1644.5000000             -0.0042377
    593.4300000             -0.0110050
    231.3600000             -0.0228633
     94.7620000             -0.0191739
     29.2740000              0.0877598
     12.4500000              0.1476913
      3.6463000             -0.2227713
      1.5025000             -0.3862311
      0.2450300              0.6879566
Ge    S
      0.0915940              1.0000000
Ge    P
   3568.1000000              0.0022875
    845.7200000              0.0141414
    272.7400000              0.0650543
    102.6800000              0.2054327
     42.1480000              0.4048634
     18.1490000              0.3917531
      7.5934000              0.1076081
      3.1964000              0.0000667
      1.2743000              0.0020508
      0.2825800             -0.0003542
Ge    P
   3568.1000000             -0.0008882
    845.7200000             -0.0055198
    272.7400000             -0.0260390
    102.6800000             -0.0854320
     42.1480000             -0.1810507
     18.1490000             -0.1615851
      7.5934000              0.2271521
      3.1964000              0.5824757
      1.2743000              0.3400258
      0.2825800              0.0185783
Ge    P
   3568.1000000              0.0001764
    845.7200000              0.0010808
    272.7400000              0.0052097
    102.6800000              0.0167673
     42.1480000              0.0370935
     18.1490000              0.0297460
      7.5934000             -0.0497526
      3.1964000             -0.1583429
      1.2743000             -0.0576877
      0.2825800              0.5113819
Ge    P
      0.0840900              1.0000000
Ge    D
     74.7620000              0.0260609
     21.3020000              0.1449968
      7.3436000              0.3683757
      2.5651000              0.4817361
      0.8197000              0.2811764
Ge    D
      0.2470000              1.0000000
end
basis "As_cc-pVDZ-DK" SPHERICAL 
#basis SET: (53s,31p,6d) -> [5s,4p,2d]
As    S
 559583.7900000              0.0014013
  83879.3300000              0.0044486
  19092.6680000              0.0139886
   5407.3925000              0.0424243
   1763.7559000              0.1202641
    636.4567200              0.2785625
    248.0884300              0.4134804
    101.5785100              0.2664488
     31.4755130              0.0280529
     13.4372820             -0.0064051
      4.0086900              0.0022476
      1.6849290             -0.0010664
      0.3000190              0.0002872
As    S
 559583.7900000             -0.0004495
  83879.3300000             -0.0014287
  19092.6680000             -0.0045720
   5407.3925000             -0.0139322
   1763.7559000             -0.0424122
    636.4567200             -0.1060837
    248.0884300             -0.2175965
    101.5785100             -0.1588867
     31.4755130              0.5022517
     13.4372820              0.6081134
      4.0086900              0.0691645
      1.6849290             -0.0126945
      0.3000190              0.0030317
As    S
 559583.7900000              0.0001757
  83879.3300000              0.0005595
  19092.6680000              0.0017870
   5407.3925000              0.0054922
   1763.7559000              0.0166626
    636.4567200              0.0429136
    248.0884300              0.0892560
    101.5785100              0.0737202
     31.4755130             -0.3195868
     13.4372820             -0.5186628
      4.0086900              0.5869002
      1.6849290              0.6758274
      0.3000190              0.0308451
As    S
 559583.7900000             -0.0000486
  83879.3300000             -0.0001548
  19092.6680000             -0.0004941
   5407.3925000             -0.0015206
   1763.7559000             -0.0046122
    636.4567200             -0.0119199
    248.0884300             -0.0248770
    101.5785100             -0.0208433
     31.4755130              0.0946246
     13.4372820              0.1624831
      4.0086900             -0.2367604
      1.6849290             -0.4251399
      0.3000190              0.6993766
As    S
      0.1135870              1.0000000
As    P
   3886.3564000              0.0022777
    921.2020100              0.0138538
    297.1931900              0.0635719
    111.9750800              0.2015077
     46.0346210              0.4009896
     19.8741940              0.3949007
      8.3860880              0.1131266
      3.5587280              0.0006550
      1.4472820              0.0020826
      0.3477790             -0.0003926
As    P
   3886.3564000             -0.0008976
    921.2020100             -0.0054919
    297.1931900             -0.0258156
    111.9750800             -0.0850995
     46.0346210             -0.1818059
     19.8741940             -0.1674091
      8.3860880              0.2171216
      3.5587280              0.5827524
      1.4472820              0.3456714
      0.3477790              0.0198946
As    P
   3886.3564000              0.0002010
    921.2020100              0.0012134
    297.1931900              0.0058264
    111.9750800              0.0188572
     46.0346210              0.0420328
     19.8741940              0.0349823
      8.3860880             -0.0543685
      3.5587280             -0.1812394
      1.4472820             -0.0677251
      0.3477790              0.5418627
As    P
      0.1076990              1.0000000
As    D
     84.4242340              0.0248871
     24.1815890              0.1408433
      8.4017770              0.3658120
      2.9805020              0.4858423
      0.9790030              0.2745897
As    D
      0.3098000              1.0000000
end
basis "Se_cc-pVDZ-DK" SPHERICAL 
#basis SET: (53s,31p,6d) -> [5s,4p,2d]
Se    S
 598990.0000000              0.0014489
  89783.0000000              0.0045628
  20435.0000000              0.0142120
   5786.9000000              0.0426588
   1887.3000000              0.1200854
    680.9700000              0.2775025
    265.3900000              0.4128957
    108.6300000              0.2679382
     33.7600000              0.0286540
     14.4650000             -0.0066351
      4.3890000              0.0024007
      1.8783000             -0.0011618
      0.3585900              0.0003199
Se    S
 598990.0000000             -0.0004669
  89783.0000000             -0.0014725
  20435.0000000             -0.0046673
   5786.9000000             -0.0140832
   1887.3000000             -0.0425586
    680.9700000             -0.1061760
    265.3900000             -0.2177652
    108.6300000             -0.1601056
     33.7600000              0.4994239
     14.4650000              0.6090549
      4.3890000              0.0719867
      1.8783000             -0.0133886
      0.3585900              0.0032101
Se    S
 598990.0000000              0.0001844
  89783.0000000              0.0005825
  20435.0000000              0.0018435
   5786.9000000              0.0056076
   1887.3000000              0.0169028
    680.9700000              0.0433741
    265.3900000              0.0903678
    108.6300000              0.0748254
     33.7600000             -0.3214743
     14.4650000             -0.5267116
      4.3890000              0.5726054
      1.8783000              0.6909332
      0.3585900              0.0338020
Se    S
 598990.0000000             -0.0000541
  89783.0000000             -0.0001708
  20435.0000000             -0.0005407
   5786.9000000             -0.0016456
   1887.3000000             -0.0049639
    680.9700000             -0.0127666
    265.3900000             -0.0267464
    108.6300000             -0.0223732
     33.7600000              0.1009177
     14.4650000              0.1765125
      4.3890000             -0.2497688
      1.8783000             -0.4606841
      0.3585900              0.7161532
Se    S
      0.1364900              1.0000000
Se    P
   4135.6000000              0.0023379
    980.3400000              0.0140264
    316.3500000              0.0640616
    119.2500000              0.2025832
     49.0680000              0.4020159
     21.2120000              0.3934710
      8.9462000              0.1118237
      3.8236000              0.0001976
      1.5883000              0.0021938
      0.4096900             -0.0004502
Se    P
   4135.6000000             -0.0009348
    980.3400000             -0.0056415
    316.3500000             -0.0264079
    119.2500000             -0.0868539
     49.0680000             -0.1852990
     21.2120000             -0.1678373
      8.9462000              0.2258849
      3.8236000              0.5848647
      1.5883000              0.3333638
      0.4096900              0.0192013
Se    P
   4135.6000000              0.0002272
    980.3400000              0.0013520
    316.3500000              0.0064727
    119.2500000              0.0208788
     49.0680000              0.0466043
     21.2120000              0.0377736
      8.9462000             -0.0616710
      3.8236000             -0.2031585
      1.5883000             -0.0615782
      0.4096900              0.5642068
Se    P
      0.1245900              1.0000000
Se    D
     94.4720000              0.0239210
     27.1800000              0.1373683
      9.5068000              0.3636145
      3.4168000              0.4891696
      1.1479000              0.2695446
Se    D
      0.3682000              1.0000000
end
basis "Br_cc-pVDZ-DK" SPHERICAL 
#basis SET: (53s,31p,6d) -> [5s,4p,2d]
Br    S
 640100.0000000              0.0014975
  95938.0000000              0.0046790
  21833.0000000              0.0144418
   6181.9000000              0.0429115
   2015.7000000              0.1199662
    727.1000000              0.2765685
    283.2800000              0.4123452
    115.9100000              0.2692454
     36.1240000              0.0292014
     15.5320000             -0.0068465
      4.7857000              0.0025447
      2.0817000             -0.0012523
      0.4202800              0.0003501
Br    S
 640100.0000000             -0.0004847
  95938.0000000             -0.0015171
  21833.0000000             -0.0047650
   6181.9000000             -0.0142394
   2015.7000000             -0.0427230
    727.1000000             -0.1063034
    283.2800000             -0.2179707
    115.9100000             -0.1611029
     36.1240000              0.4969454
     15.5320000              0.6097180
      4.7857000              0.0746373
      2.0817000             -0.0140451
      0.4202800              0.0033594
Br    S
 640100.0000000              0.0001934
  95938.0000000              0.0006061
  21833.0000000              0.0019013
   6181.9000000              0.0057252
   2015.7000000              0.0171467
    727.1000000              0.0438439
    283.2800000              0.0914657
    115.9100000              0.0758503
     36.1240000             -0.3236072
     15.5320000             -0.5342763
      4.7857000              0.5606421
      2.0817000              0.7038933
      0.4202800              0.0365738
Br    S
 640100.0000000             -0.0000594
  95938.0000000             -0.0001862
  21833.0000000             -0.0005842
   6181.9000000             -0.0017594
   2015.7000000             -0.0052775
    727.1000000             -0.0135105
    283.2800000             -0.0283958
    115.9100000             -0.0237009
     36.1240000              0.1064098
     15.5320000              0.1891007
      4.7857000             -0.2610726
      2.0817000             -0.4911557
      0.4202800              0.7279374
Br    S
      0.1606900              1.0000000
Br    P
   4340.8000000              0.0024399
   1028.9000000              0.0144672
    332.0200000              0.0657058
    125.1600000              0.2066720
     51.5110000              0.4059657
     22.2810000              0.3891806
      9.3417000              0.1065845
      4.0132000             -0.0008911
      1.7002000              0.0023793
      0.4719400             -0.0005441
Br    P
   4340.8000000             -0.0009895
   1028.9000000             -0.0058989
    332.0200000             -0.0274975
    125.1600000             -0.0899166
     51.5110000             -0.1904809
     22.2810000             -0.1646354
      9.3417000              0.2467602
      4.0132000              0.5887509
      1.7002000              0.3087593
      0.4719400              0.0173588
Br    P
   4340.8000000              0.0002575
   1028.9000000              0.0015143
    332.0200000              0.0072174
    125.1600000              0.0231679
     51.5110000              0.0513547
     22.2810000              0.0394026
      9.3417000             -0.0732324
      4.0132000             -0.2244175
      1.7002000             -0.0483259
      0.4719400              0.5844251
Br    P
      0.1442100              1.0000000
Br    D
    104.8300000              0.0231456
     30.2720000              0.1345643
     10.6490000              0.3619594
      3.8696000              0.4918818
      1.3239000              0.2654955
Br    D
      0.4098000              1.0000000
end
basis "Kr_cc-pVDZ-DK" SPHERICAL 
#basis SET: (53s,31p,6d) -> [5s,4p,2d]
Kr    S
 681358.8200000              0.0015497
 102126.4800000              0.0048054
  23243.7100000              0.0147003
   6582.0073000              0.0432409
   2146.4286000              0.1199866
    774.3378200              0.2757579
    301.6702000              0.4117081
    123.4118400              0.2703134
     38.5675510              0.0297081
     16.6373790             -0.0070466
      5.1987950              0.0026830
      2.2948140             -0.0013394
      0.4852110              0.0003785
Kr    S
 681358.8200000             -0.0005039
 102126.4800000             -0.0015653
  23243.7100000             -0.0048726
   6582.0073000             -0.0144213
   2146.4286000             -0.0429384
    774.3378200             -0.1064783
    301.6702000             -0.2181761
    123.4118400             -0.1618461
     38.5675510              0.4948090
     16.6373790              0.6101302
      5.1987950              0.0770857
      2.2948140             -0.0146504
      0.4852110              0.0034827
Kr    S
 681358.8200000              0.0002029
 102126.4800000              0.0006313
  23243.7100000              0.0019633
   6582.0073000              0.0058529
   2146.4286000              0.0174067
    774.3378200              0.0443249
    301.6702000              0.0925281
    123.4118400              0.0767653
     38.5675510             -0.3259352
     16.6373790             -0.5413562
      5.1987950              0.5506909
      2.2948140              0.7150109
      0.4852110              0.0391776
Kr    S
 681358.8200000             -0.0000647
 102126.4800000             -0.0002014
  23243.7100000             -0.0006267
   6582.0073000             -0.0018679
   2146.4286000             -0.0055678
    774.3378200             -0.0141811
    301.6702000             -0.0298753
    123.4118400             -0.0248636
     38.5675510              0.1113340
     16.6373790              0.2005552
      5.1987950             -0.2712672
      2.2948140             -0.5176738
      0.4852110              0.7367784
Kr    S
      0.1862700              1.0000000
Kr    P
   4474.2699000              0.0026041
   1060.5790000              0.0152953
    342.2081200              0.0689661
    128.9984200              0.2146664
     53.0872220              0.4132312
     22.9594250              0.3806383
      9.5073000              0.0967660
      4.0830550             -0.0024186
      1.7504460              0.0025928
      0.5291900             -0.0006595
Kr    P
   4474.2699000             -0.0010711
   1060.5790000             -0.0063199
    342.2081200             -0.0293225
    128.9984200             -0.0947917
     53.0872220             -0.1978290
     22.9594250             -0.1559430
      9.5073000              0.2843825
      4.0830550              0.5954400
      1.7504460              0.2667969
      0.5291900              0.0123549
Kr    P
   4474.2699000              0.0002927
   1060.5790000              0.0017061
    342.2081200              0.0080802
    128.9984200              0.0257088
     53.0872220              0.0560354
     22.9594250              0.0387775
      9.5073000             -0.0909353
      4.0830550             -0.2442700
      1.7504460             -0.0205985
      0.5291900              0.6037619
Kr    P
      0.1643690              1.0000000
Kr    D
    115.5253200              0.0225046
     33.4652460              0.1322817
     11.8304590              0.3606094
      4.3397710              0.4945214
      1.5075240              0.2606169
Kr    D
      0.5030000              1.0000000
end
