# BSE Version v0.8.4+29.gb6d6a1b
# Data downloaded at 2019-06-24T14:04
# cc-pvqz-dk version number 0
# Description: VQZ3P Douglas-Kroll Valence Quadruple Zeta + Polarization
# Role: orbital
# 
# ********************************************************************************
# If you downloaded data from the basis set
# exchange or used the basis set exchange python library, please cite:
# ********************************************************************************
#     Pritchard, Benjamin P., Altarawy, Doaa, Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     Manuscript in preparation
# 
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem., 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model., 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# ********************************************************************************
# References for the basis set
# ********************************************************************************
# H,B-Ne
#     ## TODO
#     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
# 
#     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
# 
# He
#     ## TODO
#     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
# 
#     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
# 
# Li,Be,Na,Mg
#     ## TODO
#     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
# 
#     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
# 
# Al-Ar
#     ## TODO
#     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
# 
#     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
# 
# Sc-Zn
#     ## TODO
#     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
# 
# Ga-Kr
#     ## TODO
#     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
# 
#     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
# 
# # 
basis "H_cc-pvqz-dk" 
#basis SET: (6s,3p,2d,1f) -> [4s,3p,2d,1f]
H    S
     82.6400000              0.0020131
     12.4100000              0.0153499
      2.8240000              0.0755920
H    S
      0.7977000              1.0000000
H    S
      0.2581000              1.0000000
H    S
      0.0898900              1.0000000
H    P
      2.2920000              1.0000000
H    P
      0.8380000              1.0000000
H    P
      0.2920000              1.0000000
H    D
      2.0620000              1.0000000
H    D
      0.6620000              1.0000000
H    F
      1.3970000              1.0000000
end
basis "He_cc-pvqz-dk" 
#basis SET: (7s,3p,2d,1f) -> [4s,3p,2d,1f]
He    S
    528.5000000              0.0009592
     79.3100000              0.0072329
     18.0500000              0.0360060
      5.0850000              0.1278065
He    S
      1.6090000              1.0000000
He    S
      0.5363000              1.0000000
He    S
      0.1833000              1.0000000
He    P
      5.9940000              1.0000000
He    P
      1.7450000              1.0000000
He    P
      0.5600000              1.0000000
He    D
      4.2990000              1.0000000
He    D
      1.2230000              1.0000000
He    F
      2.6800000              1.0000000
end
basis "Li_cc-pvqz-dk" 
#basis SET: (21s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
Li    S
   6601.0000000              0.0001428
    989.7000000              0.0009372
    225.7000000              0.0047683
     64.2900000              0.0192504
     21.1800000              0.0631135
      7.7240000              0.1632570
      3.0030000              0.3148261
      1.2120000              0.3938785
      0.4930000              0.1968621
Li    S
   6601.0000000             -0.0000223
    989.7000000             -0.0001464
    225.7000000             -0.0007479
     64.2900000             -0.0030295
     21.1800000             -0.0101354
      7.7240000             -0.0271075
      3.0030000             -0.0573626
      1.2120000             -0.0939079
      0.4930000             -0.1210364
Li    S
      0.0951500              1.0000000
Li    S
      0.0479100              1.0000000
Li    S
      0.0222000              1.0000000
Li    P
      6.2500000              0.0033908
      1.3700000              0.0193161
      0.3672000              0.0791011
Li    P
      0.1192000              1.0000000
Li    P
      0.0447400              1.0000000
Li    P
      0.0179500              1.0000000
Li    D
      0.3440000              1.0000000
Li    D
      0.1530000              1.0000000
Li    D
      0.0680000              1.0000000
Li    F
      0.2460000              1.0000000
Li    F
      0.1292000              1.0000000
Li    G
      0.2380000              1.0000000
end
basis "Be_cc-pvqz-dk" 
#basis SET: (21s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
Be    S
  14630.0000000              0.0001304
   2191.0000000              0.0007604
    498.2000000              0.0038026
    140.9000000              0.0155612
     45.8600000              0.0529953
     16.4700000              0.1458045
      6.3190000              0.3027037
      2.5350000              0.4048329
      1.0350000              0.2222552
Be    S
  14630.0000000             -0.0000237
   2191.0000000             -0.0001391
    498.2000000             -0.0006922
    140.9000000             -0.0028756
     45.8600000             -0.0098388
     16.4700000             -0.0286430
      6.3190000             -0.0637779
      2.5350000             -0.1172570
      1.0350000             -0.1210701
Be    S
      0.2528000              1.0000000
Be    S
      0.1052000              1.0000000
Be    S
      0.0426100              1.0000000
Be    P
     14.0300000              0.0041084
      3.1680000              0.0256337
      0.9024000              0.1037812
Be    P
      0.3036000              1.0000000
Be    P
      0.1130000              1.0000000
Be    P
      0.0428600              1.0000000
Be    D
      1.0720000              1.0000000
Be    D
      0.4410000              1.0000000
Be    D
      0.1811000              1.0000000
Be    F
      0.4810000              1.0000000
Be    F
      0.2550000              1.0000000
Be    G
      0.4150000              1.0000000
end
basis "B_cc-pvqz-dk" 
#basis SET: (21s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
B    S
  23870.0000000              0.0001428
   3575.0000000              0.0007616
    812.8000000              0.0037058
    229.7000000              0.0150963
     74.6900000              0.0516294
     26.8100000              0.1434860
     10.3200000              0.3009872
      4.1780000              0.4033443
      1.7270000              0.2251446
B    S
  23870.0000000             -0.0000288
   3575.0000000             -0.0001545
    812.8000000             -0.0007473
    229.7000000             -0.0030957
     74.6900000             -0.0106287
     26.8100000             -0.0314278
     10.3200000             -0.0710579
      4.1780000             -0.1321386
      1.7270000             -0.1228547
B    S
      0.4704000              1.0000000
B    S
      0.1896000              1.0000000
B    S
      0.0739400              1.0000000
B    P
     22.2600000              0.0051124
      5.0580000              0.0332200
      1.4870000              0.1323136
B    P
      0.5071000              1.0000000
B    P
      0.1812000              1.0000000
B    P
      0.0646300              1.0000000
B    D
      1.1100000              1.0000000
B    D
      0.4020000              1.0000000
B    D
      0.1450000              1.0000000
B    F
      0.8820000              1.0000000
B    F
      0.3110000              1.0000000
B    G
      0.6730000              1.0000000
end
basis "C_cc-pvqz-dk" 
#basis SET: (21s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
C    S
  33980.0000000              0.0001631
   5089.0000000              0.0008131
   1157.0000000              0.0038480
    326.6000000              0.0155770
    106.1000000              0.0532169
     38.1100000              0.1473186
     14.7500000              0.3057064
      6.0350000              0.3990689
      2.5300000              0.2167636
C    S
  33980.0000000             -0.0000347
   5089.0000000             -0.0001740
   1157.0000000             -0.0008193
    326.6000000             -0.0033743
    106.1000000             -0.0115871
     38.1100000             -0.0342621
     14.7500000             -0.0772516
      6.0350000             -0.1415421
      2.5300000             -0.1176683
C    S
      0.7355000              1.0000000
C    S
      0.2905000              1.0000000
C    S
      0.1111000              1.0000000
C    P
     34.5100000              0.0054084
      7.9150000              0.0361681
      2.3680000              0.1425195
C    P
      0.8132000              1.0000000
C    P
      0.2890000              1.0000000
C    P
      0.1007000              1.0000000
C    D
      1.8480000              1.0000000
C    D
      0.6490000              1.0000000
C    D
      0.2280000              1.0000000
C    F
      1.4190000              1.0000000
C    F
      0.4850000              1.0000000
C    G
      1.0110000              1.0000000
end
basis "N_cc-pvqz-dk" 
#basis SET: (21s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
N    S
  45840.0000000              0.0001837
   6868.0000000              0.0008652
   1563.0000000              0.0039619
    442.4000000              0.0158295
    144.3000000              0.0535430
     52.1800000              0.1471714
     20.3400000              0.3047729
      8.3810000              0.3973010
      3.5290000              0.2172331
N    S
  45840.0000000             -0.0000405
   6868.0000000             -0.0001916
   1563.0000000             -0.0008729
    442.4000000             -0.0035503
    144.3000000             -0.0120742
     52.1800000             -0.0355377
     20.3400000             -0.0801985
      8.3810000             -0.1467880
      3.5290000             -0.1158517
N    S
      1.0540000              1.0000000
N    S
      0.4118000              1.0000000
N    S
      0.1552000              1.0000000
N    P
     49.3300000              0.0055788
     11.3700000              0.0380245
      3.4350000              0.1490854
N    P
      1.1820000              1.0000000
N    P
      0.4173000              1.0000000
N    P
      0.1428000              1.0000000
N    D
      2.8370000              1.0000000
N    D
      0.9680000              1.0000000
N    D
      0.3350000              1.0000000
N    F
      2.0270000              1.0000000
N    F
      0.6850000              1.0000000
N    G
      1.4270000              1.0000000
end
basis "O_cc-pvqz-dk" 
#basis SET: (21s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
O    S
  61420.0000000              0.0001989
   9199.0000000              0.0008884
   2091.0000000              0.0039425
    590.9000000              0.0156072
    192.3000000              0.0529461
     69.3200000              0.1464382
     26.9700000              0.3054148
     11.1000000              0.3979979
      4.6820000              0.2164354
O    S
  61420.0000000             -0.0000452
   9199.0000000             -0.0002026
   2091.0000000             -0.0008948
    590.9000000             -0.0036058
    192.3000000             -0.0123033
     69.3200000             -0.0364684
     26.9700000             -0.0831671
     11.1000000             -0.1521740
      4.6820000             -0.1146271
O    S
      1.4280000              1.0000000
O    S
      0.5547000              1.0000000
O    S
      0.2067000              1.0000000
O    P
     63.4200000              0.0061107
     14.6600000              0.0418957
      4.4590000              0.1612329
O    P
      1.5310000              1.0000000
O    P
      0.5302000              1.0000000
O    P
      0.1750000              1.0000000
O    D
      3.7750000              1.0000000
O    D
      1.3000000              1.0000000
O    D
      0.4440000              1.0000000
O    F
      2.6660000              1.0000000
O    F
      0.8590000              1.0000000
O    G
      1.8460000              1.0000000
end
basis "F_cc-pvqz-dk" 
#basis SET: (21s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
F    S
  74530.0000000              0.0002270
  11170.0000000              0.0009782
   2543.0000000              0.0042187
    721.0000000              0.0164262
    235.9000000              0.0549597
     85.6000000              0.1501715
     33.5500000              0.3084373
     13.9300000              0.3941862
      5.9150000              0.2103451
F    S
  74530.0000000             -0.0000526
  11170.0000000             -0.0002277
   2543.0000000             -0.0009777
    721.0000000             -0.0038762
    235.9000000             -0.0130575
     85.6000000             -0.0383358
     33.5500000             -0.0864713
     13.9300000             -0.1559566
      5.9150000             -0.1099779
F    S
      1.8430000              1.0000000
F    S
      0.7124000              1.0000000
F    S
      0.2637000              1.0000000
F    P
     80.3900000              0.0064367
     18.6300000              0.0443407
      5.6940000              0.1686436
F    P
      1.9530000              1.0000000
F    P
      0.6702000              1.0000000
F    P
      0.2166000              1.0000000
F    D
      5.0140000              1.0000000
F    D
      1.7250000              1.0000000
F    D
      0.5860000              1.0000000
F    F
      3.5620000              1.0000000
F    F
      1.1480000              1.0000000
F    G
      2.3760000              1.0000000
end
basis "Ne_cc-pvqz-dk" 
#basis SET: (21s,6p,3d,2f,1g) -> [5s,4p,3d,2f,1g]
Ne    S
  99920.0000000              0.0002309
  14960.0000000              0.0009487
   3399.0000000              0.0039528
    958.9000000              0.0152737
    311.2000000              0.0517892
    111.7000000              0.1445869
     43.3200000              0.3048408
     17.8000000              0.3992901
      7.5030000              0.2177599
Ne    S
  99920.0000000             -0.0000543
  14960.0000000             -0.0002242
   3399.0000000             -0.0009299
    958.9000000             -0.0036578
    311.2000000             -0.0124756
    111.7000000             -0.0373656
     43.3200000             -0.0864225
     17.8000000             -0.1585073
      7.5030000             -0.1131074
Ne    S
      2.3370000              1.0000000
Ne    S
      0.9001000              1.0000000
Ne    S
      0.3301000              1.0000000
Ne    P
     99.6800000              0.0066835
     23.1500000              0.0461632
      7.1080000              0.1735949
Ne    P
      2.4410000              1.0000000
Ne    P
      0.8339000              1.0000000
Ne    P
      0.2662000              1.0000000
Ne    D
      6.4710000              1.0000000
Ne    D
      2.2130000              1.0000000
Ne    D
      0.7470000              1.0000000
Ne    F
      4.6570000              1.0000000
Ne    F
      1.5240000              1.0000000
Ne    G
      2.9830000              1.0000000
end
basis "Na_cc-pvqz-dk" 
#basis SET: (51s,21p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
Na    S
1224000.0000000              0.0000384
 183200.0000000              0.0001214
  41700.0000000              0.0003735
  11810.0000000              0.0011226
   3853.0000000              0.0034243
   1391.0000000              0.0102715
    542.5000000              0.0289918
    224.9000000              0.0741036
     97.9300000              0.1636649
     44.3100000              0.2887998
     20.6500000              0.3459070
      9.7290000              0.2058713
      4.2280000              0.0325950
      1.9690000             -0.0006392
      0.8890000              0.0014474
      0.3964000             -0.0001751
Na    S
1224000.0000000             -0.0000094
 183200.0000000             -0.0000297
  41700.0000000             -0.0000916
  11810.0000000             -0.0002753
   3853.0000000             -0.0008427
   1391.0000000             -0.0025382
    542.5000000             -0.0072706
    224.9000000             -0.0190949
     97.9300000             -0.0450056
     44.3100000             -0.0901063
     20.6500000             -0.1429400
      9.7290000             -0.1232733
      4.2280000              0.1016495
      1.9690000              0.4178921
      0.8890000              0.4740231
      0.3964000              0.1619561
Na    S
1224000.0000000              0.0000014
 183200.0000000              0.0000045
  41700.0000000              0.0000138
  11810.0000000              0.0000414
   3853.0000000              0.0001269
   1391.0000000              0.0003813
    542.5000000              0.0010962
    224.9000000              0.0028743
     97.9300000              0.0068266
     44.3100000              0.0137060
     20.6500000              0.0222733
      9.7290000              0.0194615
      4.2280000             -0.0171479
      1.9690000             -0.0774282
      0.8890000             -0.1139147
      0.3964000             -0.1380056
Na    S
      0.0699300              1.0000000
Na    S
      0.0328900              1.0000000
Na    S
      0.0161200              1.0000000
Na    P
    413.4000000              0.0009678
     97.9800000              0.0075358
     31.3700000              0.0359650
     11.6200000              0.1187550
      4.6710000              0.2614638
      1.9180000              0.3782233
      0.7775000              0.3344927
      0.3013000              0.1267953
      0.2275000             -0.0146216
Na    P
    413.4000000             -0.0000961
     97.9800000             -0.0007513
     31.3700000             -0.0035957
     11.6200000             -0.0120397
      4.6710000             -0.0267252
      1.9180000             -0.0392593
      0.7775000             -0.0375978
      0.3013000             -0.0433062
      0.2275000              0.0518049
Na    P
      0.0752700              1.0000000
Na    P
      0.0312600              1.0000000
Na    P
      0.0134200              1.0000000
Na    D
      0.1538000              1.0000000
Na    D
      0.0865000              1.0000000
Na    D
      0.0487000              1.0000000
Na    F
      0.1912000              1.0000000
Na    F
      0.1036000              1.0000000
Na    G
      0.1722000              1.0000000
end
basis "Mg_cc-pvqz-dk" 
#basis SET: (42s,21p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
Mg    S
 327600.0000000              0.0001374
  49050.0000000              0.0004833
  11150.0000000              0.0017106
   3152.0000000              0.0059767
   1025.0000000              0.0199746
    368.8000000              0.0599650
    143.2000000              0.1525833
     58.9600000              0.3010112
     25.4000000              0.3799765
     11.1500000              0.2123223
      4.0040000              0.0229431
      1.7010000             -0.0022859
      0.7060000              0.0012788
Mg    S
 327600.0000000             -0.0000349
  49050.0000000             -0.0001225
  11150.0000000             -0.0004355
   3152.0000000             -0.0015201
   1025.0000000             -0.0051629
    368.8000000             -0.0157370
    143.2000000             -0.0428686
     58.9600000             -0.0945231
     25.4000000             -0.1634933
     11.1500000             -0.1230493
      4.0040000              0.2381350
      1.7010000              0.5772301
      0.7060000              0.3329505
Mg    S
 327600.0000000              0.0000067
  49050.0000000              0.0000236
  11150.0000000              0.0000839
   3152.0000000              0.0002930
   1025.0000000              0.0009960
    368.8000000              0.0030394
    143.2000000              0.0083179
     58.9600000              0.0184823
     25.4000000              0.0327037
     11.1500000              0.0253174
      4.0040000             -0.0540287
      1.7010000             -0.1574594
      0.7060000             -0.2052544
Mg    S
      0.1410000              1.0000000
Mg    S
      0.0680800              1.0000000
Mg    S
      0.0306300              1.0000000
Mg    P
    539.6000000              0.0009048
    127.9000000              0.0070359
     41.0200000              0.0340630
     15.2500000              0.1147194
      6.1660000              0.2596377
      2.5610000              0.3849025
      1.0600000              0.3351348
      0.4176000              0.1105931
      0.2690000             -0.0120673
Mg    P
    539.6000000             -0.0001429
    127.9000000             -0.0011146
     41.0200000             -0.0054224
     15.2500000             -0.0185437
      6.1660000             -0.0426194
      2.5610000             -0.0644771
      1.0600000             -0.0626349
      0.4176000             -0.0244757
      0.2690000              0.1040184
Mg    P
      0.1223000              1.0000000
Mg    P
      0.0547600              1.0000000
Mg    P
      0.0238800              1.0000000
Mg    D
      0.3570000              1.0000000
Mg    D
      0.1944000              1.0000000
Mg    D
      0.1060000              1.0000000
Mg    F
      0.3590000              1.0000000
Mg    F
      0.1810000              1.0000000
Mg    G
      0.3070000              1.0000000
end
basis "Al_cc-pvqz-dk" 
#basis SET: (42s,19p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
Al    S
 419600.0000000              0.0001389
  62830.0000000              0.0004753
  14290.0000000              0.0016292
   4038.0000000              0.0055290
   1312.0000000              0.0182635
    470.5000000              0.0551514
    181.8000000              0.1426944
     74.4600000              0.2897463
     31.9000000              0.3835431
     13.9600000              0.2312693
      5.1800000              0.0290679
      2.2650000             -0.0029729
      0.9664000              0.0016503
Al    S
 419600.0000000             -0.0000362
  62830.0000000             -0.0001241
  14290.0000000             -0.0004267
   4038.0000000             -0.0014484
   1312.0000000             -0.0048507
    470.5000000             -0.0148872
    181.8000000             -0.0409761
     74.4600000             -0.0928521
     31.9000000             -0.1646399
     13.9600000             -0.1393633
      5.1800000              0.1984186
      2.2650000              0.5723849
      0.9664000              0.3712390
Al    S
 419600.0000000              0.0000084
  62830.0000000              0.0000286
  14290.0000000              0.0000986
   4038.0000000              0.0003344
   1312.0000000              0.0011225
    470.5000000              0.0034429
    181.8000000              0.0095440
     74.4600000              0.0217412
     31.9000000              0.0396522
     13.9600000              0.0343707
      5.1800000             -0.0536225
      2.2650000             -0.1927024
      0.9664000             -0.2522909
Al    S
      0.2447000              1.0000000
Al    S
      0.1184000              1.0000000
Al    S
      0.0502100              1.0000000
Al    P
    891.3000000              0.0005579
    211.3000000              0.0042974
     68.2800000              0.0215372
     25.7000000              0.0767988
     10.6300000              0.1945799
      4.6020000              0.3343660
      2.0150000              0.3746890
      0.8706000              0.2038459
Al    P
    891.3000000             -0.0001007
    211.3000000             -0.0007704
     68.2800000             -0.0039192
     25.7000000             -0.0139974
     10.6300000             -0.0367111
      4.6020000             -0.0627027
      2.0150000             -0.0788205
      0.8706000             -0.0286871
Al    P
      0.2972000              1.0000000
Al    P
      0.1100000              1.0000000
Al    P
      0.0398900              1.0000000
Al    D
      0.4940000              1.0000000
Al    D
      0.1990000              1.0000000
Al    D
      0.0804000              1.0000000
Al    F
      0.4010000              1.0000000
Al    F
      0.1540000              1.0000000
Al    G
      0.3570000              1.0000000
end
basis "Si_cc-pvqz-dk" 
#basis SET: (42s,19p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
Si    S
 513000.0000000              0.0001438
  76820.0000000              0.0004823
  17470.0000000              0.0016122
   4935.0000000              0.0053396
   1602.0000000              0.0174067
    574.1000000              0.0524374
    221.5000000              0.1367697
     90.5400000              0.2819429
     38.7400000              0.3839309
     16.9500000              0.2437420
      6.4520000              0.0339535
      2.8740000             -0.0033064
      1.2500000              0.0018550
Si    S
 513000.0000000             -0.0000384
  76820.0000000             -0.0001290
  17470.0000000             -0.0004325
   4935.0000000             -0.0014340
   1602.0000000             -0.0047331
    574.1000000             -0.0145011
    221.5000000             -0.0400944
     90.5400000             -0.0921542
     38.7400000             -0.1657971
     16.9500000             -0.1503143
      6.4520000              0.1721760
      2.8740000              0.5693971
      1.2500000              0.3947389
Si    S
 513000.0000000              0.0000099
  76820.0000000              0.0000330
  17470.0000000              0.0001109
   4935.0000000              0.0003672
   1602.0000000              0.0012158
    574.1000000              0.0037197
    221.5000000              0.0103715
     90.5400000              0.0239422
     38.7400000              0.0444389
     16.9500000              0.0412255
      6.4520000             -0.0513350
      2.8740000             -0.2176605
      1.2500000             -0.2841831
Si    S
      0.3599000              1.0000000
Si    S
      0.1699000              1.0000000
Si    S
      0.0706600              1.0000000
Si    P
   1122.0000000              0.0005232
    266.0000000              0.0039764
     85.9200000              0.0201449
     32.3300000              0.0731848
     13.3700000              0.1902497
      5.8000000              0.3356425
      2.5590000              0.3789449
      1.1240000              0.2008937
Si    P
   1122.0000000             -0.0001125
    266.0000000             -0.0008461
     85.9200000             -0.0043718
     32.3300000             -0.0158505
     13.3700000             -0.0430226
      5.8000000             -0.0751907
      2.5590000             -0.0969744
      1.1240000             -0.0224752
Si    P
      0.3988000              1.0000000
Si    P
      0.1533000              1.0000000
Si    P
      0.0572800              1.0000000
Si    D
      0.7600000              1.0000000
Si    D
      0.3020000              1.0000000
Si    D
      0.1200000              1.0000000
Si    F
      0.5410000              1.0000000
Si    F
      0.2120000              1.0000000
Si    G
      0.4610000              1.0000000
end
basis "P_cc-pvqz-dk" 
#basis SET: (42s,19p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
P    S
 615200.0000000              0.0001494
  92120.0000000              0.0004927
  20950.0000000              0.0016113
   5920.0000000              0.0052114
   1922.0000000              0.0167435
    688.0000000              0.0503603
    265.0000000              0.1319373
    108.2000000              0.2753508
     46.2200000              0.3838728
     20.2300000              0.2536762
      7.8590000              0.0386519
      3.5470000             -0.0036276
      1.5640000              0.0020548
P    S
 615200.0000000             -0.0000408
  92120.0000000             -0.0001345
  20950.0000000             -0.0004412
   5920.0000000             -0.0014294
   1922.0000000             -0.0046453
    688.0000000             -0.0142168
    265.0000000             -0.0393765
    108.2000000             -0.0915378
     46.2200000             -0.1668405
     20.2300000             -0.1589841
      7.8590000              0.1510834
      3.5470000              0.5670363
      1.5640000              0.4125417
P    S
 615200.0000000              0.0000112
  92120.0000000              0.0000370
  20950.0000000              0.0001213
   5920.0000000              0.0003925
   1922.0000000              0.0012800
    688.0000000              0.0039107
    265.0000000              0.0109296
    108.2000000              0.0255132
     46.2200000              0.0480500
     20.2300000              0.0468949
      7.8590000             -0.0480519
      3.5470000             -0.2363588
      1.5640000             -0.3085593
P    S
      0.4888000              1.0000000
P    S
      0.2266000              1.0000000
P    S
      0.0933100              1.0000000
P    P
   1367.0000000              0.0005063
    324.0000000              0.0037938
    104.6000000              0.0193127
     39.3700000              0.0711381
     16.2600000              0.1886840
      7.0560000              0.3387104
      3.1300000              0.3814251
      1.3940000              0.1948542
P    P
   1367.0000000             -0.0001211
    324.0000000             -0.0008984
    104.6000000             -0.0046649
     39.3700000             -0.0171725
     16.2600000             -0.0476350
      7.0560000             -0.0852209
      3.1300000             -0.1094597
      1.3940000             -0.0157089
P    P
      0.5179000              1.0000000
P    P
      0.2032000              1.0000000
P    P
      0.0769800              1.0000000
P    D
      1.0360000              1.0000000
P    D
      0.4130000              1.0000000
P    D
      0.1650000              1.0000000
P    F
      0.7030000              1.0000000
P    F
      0.2800000              1.0000000
P    G
      0.5970000              1.0000000
end
basis "S_cc-pvqz-dk" 
#basis SET: (42s,19p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
S    S
 727800.0000000              0.0001554
 109000.0000000              0.0005046
  24800.0000000              0.0016175
   7014.0000000              0.0051117
   2278.0000000              0.0161905
    814.7000000              0.0484992
    313.4000000              0.1276676
    127.7000000              0.2694767
     54.4800000              0.3831611
     23.8500000              0.2627392
      9.4280000              0.0431322
      4.2900000             -0.0037264
      1.9090000              0.0021479
S    S
 727800.0000000             -0.0000432
 109000.0000000             -0.0001403
  24800.0000000             -0.0004508
   7014.0000000             -0.0014279
   2278.0000000             -0.0045711
    814.7000000             -0.0139376
    313.4000000             -0.0386964
    127.7000000             -0.0908910
     54.4800000             -0.1674364
     23.8500000             -0.1666169
      9.4280000              0.1328293
      4.2900000              0.5655083
      1.9090000              0.4272415
S    S
 727800.0000000              0.0000125
 109000.0000000              0.0000407
  24800.0000000              0.0001310
   7014.0000000              0.0004143
   2278.0000000              0.0013314
    814.7000000              0.0040511
    313.4000000              0.0113555
    127.7000000              0.0267755
     54.4800000              0.0510364
     23.8500000              0.0520469
      9.4280000             -0.0442967
      4.2900000             -0.2526072
      1.9090000             -0.3297678
S    S
      0.6270000              1.0000000
S    S
      0.2873000              1.0000000
S    S
      0.1172000              1.0000000
S    P
   1546.0000000              0.0005420
    366.4000000              0.0039949
    118.4000000              0.0203053
     44.5300000              0.0749103
     18.3800000              0.1979599
      7.9650000              0.3518386
      3.5410000              0.3780259
      1.5910000              0.1704564
S    P
   1546.0000000             -0.0001388
    366.4000000             -0.0010148
    118.4000000             -0.0052563
     44.5300000             -0.0194496
     18.3800000             -0.0537531
      7.9650000             -0.0959730
      3.5410000             -0.1178745
      1.5910000              0.0097800
S    P
      0.6205000              1.0000000
S    P
      0.2420000              1.0000000
S    P
      0.0901400              1.0000000
S    D
      1.2500000              1.0000000
S    D
      0.5040000              1.0000000
S    D
      0.2030000              1.0000000
S    F
      0.8690000              1.0000000
S    F
      0.3350000              1.0000000
S    G
      0.6830000              1.0000000
end
basis "Cl_cc-pvqz-dk" 
#basis SET: (42s,19p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
Cl    S
 834900.0000000              0.0001641
 125000.0000000              0.0005267
  28430.0000000              0.0016638
   8033.0000000              0.0051711
   2608.0000000              0.0161450
    933.9000000              0.0478990
    360.0000000              0.1256947
    147.0000000              0.2655995
     62.8800000              0.3811966
     27.6000000              0.2679211
     11.0800000              0.0464082
      5.0750000             -0.0036484
      2.2780000              0.0021529
Cl    S
 834900.0000000             -0.0000463
 125000.0000000             -0.0001487
  28430.0000000             -0.0004710
   8033.0000000             -0.0014677
   2608.0000000             -0.0046298
    933.9000000             -0.0139887
    360.0000000             -0.0386727
    147.0000000             -0.0909250
     62.8800000             -0.1680822
     27.6000000             -0.1717136
     11.0800000              0.1206631
      5.0750000              0.5645474
      2.2780000              0.4364054
Cl    S
 834900.0000000              0.0000140
 125000.0000000              0.0000450
  28430.0000000              0.0001427
   8033.0000000              0.0004439
   2608.0000000              0.0014057
    933.9000000              0.0042378
    360.0000000              0.0118341
    147.0000000              0.0279279
     62.8800000              0.0534861
     27.6000000              0.0560161
     11.0800000             -0.0416406
      5.0750000             -0.2664792
      2.2780000             -0.3452430
Cl    S
      0.7775000              1.0000000
Cl    S
      0.3527000              1.0000000
Cl    S
      0.1431000              1.0000000
Cl    P
   1703.0000000              0.0005937
    403.6000000              0.0043262
    130.3000000              0.0218990
     49.0500000              0.0803025
     20.2600000              0.2096664
      8.7870000              0.3648911
      3.9190000              0.3708910
      1.7650000              0.1457674
Cl    P
   1703.0000000             -0.0001606
    403.6000000             -0.0011649
    130.3000000             -0.0059897
     49.0500000             -0.0221645
     20.2600000             -0.0603359
      8.7870000             -0.1068579
      3.9190000             -0.1220136
      1.7650000              0.0390608
Cl    P
      0.7207000              1.0000000
Cl    P
      0.2839000              1.0000000
Cl    P
      0.1060000              1.0000000
Cl    D
      1.5510000              1.0000000
Cl    D
      0.6280000              1.0000000
Cl    D
      0.2540000              1.0000000
Cl    F
      1.0890000              1.0000000
Cl    F
      0.4230000              1.0000000
Cl    G
      0.8270000              1.0000000
end
basis "Ar_cc-pvqz-dk" 
#basis SET: (42s,19p,3d,2f,1g) -> [6s,5p,3d,2f,1g]
Ar    S
 950600.0000000              0.0001729
 142300.0000000              0.0005491
  32360.0000000              0.0017106
   9145.0000000              0.0052236
   2970.0000000              0.0160867
   1064.0000000              0.0473162
    410.8000000              0.1237533
    168.0000000              0.2620152
     71.9900000              0.3794265
     31.6700000              0.2726419
     12.8900000              0.0496374
      5.9290000             -0.0035227
      2.6780000              0.0021435
Ar    S
 950600.0000000             -0.0000494
 142300.0000000             -0.0001572
  32360.0000000             -0.0004909
   9145.0000000             -0.0015035
   2970.0000000             -0.0046766
   1064.0000000             -0.0140154
    410.8000000             -0.0385750
    168.0000000             -0.0908526
     71.9900000             -0.1685476
     31.6700000             -0.1762288
     12.8900000              0.1095078
      5.9290000              0.5638908
      2.6780000              0.4444235
Ar    S
 950600.0000000              0.0000155
 142300.0000000              0.0000491
  32360.0000000              0.0001536
   9145.0000000              0.0004697
   2970.0000000              0.0014670
   1064.0000000              0.0043862
    410.8000000              0.0121987
    168.0000000              0.0288360
     71.9900000              0.0554744
     31.6700000              0.0594865
     12.8900000             -0.0387248
      5.9290000             -0.2779522
      2.6780000             -0.3580799
Ar    S
      0.9416000              1.0000000
Ar    S
      0.4239000              1.0000000
Ar    S
      0.1714000              1.0000000
Ar    P
   1890.0000000              0.0006345
    447.8000000              0.0045580
    144.6000000              0.0229891
     54.4600000              0.0840762
     22.5100000              0.2179697
      9.7740000              0.3744141
      4.3680000              0.3654219
      1.9590000              0.1286601
Ar    P
   1890.0000000             -0.0001777
    447.8000000             -0.0012754
    144.6000000             -0.0065156
     54.4600000             -0.0241765
     22.5100000             -0.0651679
      9.7740000             -0.1153641
      4.3680000             -0.1230461
      1.9590000              0.0657576
Ar    P
      0.8260000              1.0000000
Ar    P
      0.3297000              1.0000000
Ar    P
      0.1242000              1.0000000
Ar    D
      1.8730000              1.0000000
Ar    D
      0.7630000              1.0000000
Ar    D
      0.3110000              1.0000000
Ar    F
      1.3250000              1.0000000
Ar    F
      0.5430000              1.0000000
Ar    G
      1.0070000              1.0000000
end
basis "Sc_cc-pvqz-dk" 
#basis SET: (148s,103p,41d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
Sc    S
8417909.0000000              0.0000450
1260312.0000000              0.0001300
 286798.4000000              0.0003520
  81234.6900000              0.0008820
  26503.1100000              0.0021990
   9568.7010000              0.0055320
   3732.4970000              0.0140830
   1548.4220000              0.0350930
    675.5420000              0.0814300
    307.2522000              0.1645690
    144.6672000              0.2626320
     70.0438700              0.2731620
     34.3225000              0.1412160
     15.6122400              0.0704600
      7.7437220              0.1249190
      3.8442600              0.0881650
      1.7197660              0.0113260
      0.8325230             -0.0004190
      0.3855640              0.0001250
      0.0967000             -0.0000430
      0.0477780              0.0000400
Sc    S
8417909.0000000             -0.0000260
1260312.0000000             -0.0000750
 286798.4000000             -0.0002020
  81234.6900000             -0.0005070
  26503.1100000             -0.0012640
   9568.7010000             -0.0031910
   3732.4970000             -0.0081610
   1548.4220000             -0.0206010
    675.5420000             -0.0489160
    307.2522000             -0.1043990
    144.6672000             -0.1854760
     70.0438700             -0.2443340
     34.3225000             -0.1538870
     15.6122400              0.1868870
      7.7437220              0.5333670
      3.8442600              0.3687560
      1.7197660              0.0495060
      0.8325230             -0.0039720
      0.3855640              0.0001950
      0.0967000             -0.0003590
      0.0477780              0.0002880
Sc    S
8417909.0000000              0.0000050
1260312.0000000              0.0000150
 286798.4000000              0.0000400
  81234.6900000              0.0001000
  26503.1100000              0.0002490
   9568.7010000              0.0006330
   3732.4970000              0.0016220
   1548.4220000              0.0041490
    675.5420000              0.0100150
    307.2522000              0.0224020
    144.6672000              0.0427710
     70.0438700              0.0651430
     34.3225000              0.0450750
     15.6122400             -0.0858650
      7.7437220             -0.3310660
      3.8442600             -0.3584680
      1.7197660              0.2210450
      0.8325230              0.6853970
      0.3855640              0.3601480
      0.0967000              0.0191690
      0.0477780             -0.0058640
Sc    S
8417909.0000000             -0.0000010
1260312.0000000             -0.0000040
 286798.4000000             -0.0000100
  81234.6900000             -0.0000240
  26503.1100000             -0.0000600
   9568.7010000             -0.0001530
   3732.4970000             -0.0003920
   1548.4220000             -0.0010030
    675.5420000             -0.0024210
    307.2522000             -0.0054190
    144.6672000             -0.0103610
     70.0438700             -0.0158320
     34.3225000             -0.0110030
     15.6122400              0.0211590
      7.7437220              0.0853750
      3.8442600              0.0964150
      1.7197660             -0.0709410
      0.8325230             -0.2398400
      0.3855640             -0.2720170
      0.0967000              0.3127010
      0.0477780              0.6137670
Sc    S
8417909.0000000             -0.0000020
1260312.0000000             -0.0000060
 286798.4000000             -0.0000170
  81234.6900000             -0.0000420
  26503.1100000             -0.0001030
   9568.7010000             -0.0002720
   3732.4970000             -0.0006550
   1548.4220000             -0.0018210
    675.5420000             -0.0039590
    307.2522000             -0.0101080
    144.6672000             -0.0162010
     70.0438700             -0.0318930
     34.3225000             -0.0102390
     15.6122400              0.0155450
      7.7437220              0.2031530
      3.8442600              0.0891500
      1.7197660              0.0262840
      0.8325230             -0.9642330
      0.3855640              0.2264090
      0.0967000              2.0955710
      0.0477780             -1.1942840
Sc    S
8417909.0000000             -0.0000030
1260312.0000000             -0.0000100
 286798.4000000             -0.0000260
  81234.6900000             -0.0000670
  26503.1100000             -0.0001600
   9568.7010000             -0.0004350
   3732.4970000             -0.0010050
   1548.4220000             -0.0029490
    675.5420000             -0.0059720
    307.2522000             -0.0166370
    144.6672000             -0.0236840
     70.0438700             -0.0549230
     34.3225000             -0.0072170
     15.6122400              0.0034090
      7.7437220              0.3895120
      3.8442600              0.0925470
      1.7197660             -0.0164440
      0.8325230             -2.3078390
      0.3855640              2.7174500
      0.0967000              0.0384980
      0.0477780             -2.5297130
Sc    S
8417909.0000000             -0.0000040
1260312.0000000             -0.0000100
 286798.4000000             -0.0000280
  81234.6900000             -0.0000700
  26503.1100000             -0.0001810
   9568.7010000             -0.0004320
   3732.4970000             -0.0012120
   1548.4220000             -0.0027520
    675.5420000             -0.0077240
    307.2522000             -0.0142930
    144.6672000             -0.0351350
     70.0438700             -0.0368140
     34.3225000             -0.0559630
     15.6122400              0.1117600
      7.7437220              0.2141660
      3.8442600              0.6131590
      1.7197660             -1.4758760
      0.8325230             -0.6976530
      0.3855640              2.9768830
      0.0967000             -5.7468710
      0.0477780              6.9531630
Sc    S
      0.0223630              1.0000000
Sc    P
  22640.9700000              0.0000390
   5357.5450000              0.0001730
   1740.3730000              0.0007840
    666.6163000              0.0031410
    283.6384000              0.0111150
    129.7976000              0.0338110
     62.6795600              0.0871300
     31.5044100              0.1810660
     16.2352500              0.2894700
      8.5183240              0.3269550
      4.5190050              0.2089190
      2.3665910              0.0541810
      1.2152350              0.0016720
      0.6143480             -0.0015710
      0.3007450             -0.0010160
      0.1258340             -0.0000590
      0.0547190             -0.0000200
Sc    P
  22640.9700000             -0.0000130
   5357.5450000             -0.0000570
   1740.3730000             -0.0002570
    666.6163000             -0.0010350
    283.6384000             -0.0036790
    129.7976000             -0.0113360
     62.6795600             -0.0298480
     31.5044100             -0.0640540
     16.2352500             -0.1060770
      8.5183240             -0.1280140
      4.5190050             -0.0515380
      2.3665910              0.1753060
      1.2152350              0.3929150
      0.6143480              0.3955600
      0.3007450              0.1755030
      0.1258340              0.0190220
      0.0547190              0.0000740
Sc    P
  22640.9700000             -0.0000030
   5357.5450000             -0.0000140
   1740.3730000             -0.0000630
    666.6163000             -0.0002520
    283.6384000             -0.0009000
    129.7976000             -0.0027610
     62.6795600             -0.0073230
     31.5044100             -0.0156550
     16.2352500             -0.0262660
      8.5183240             -0.0315690
      4.5190050             -0.0120800
      2.3665910              0.0527840
      1.2152350              0.1138130
      0.6143480              0.1457620
      0.3007450              0.0132030
      0.1258340             -0.3522610
      0.0547190             -0.5500870
Sc    P
  22640.9700000              0.0000040
   5357.5450000              0.0000170
   1740.3730000              0.0000760
    666.6163000              0.0003070
    283.6384000              0.0010930
    129.7976000              0.0033720
     62.6795600              0.0088800
     31.5044100              0.0191230
     16.2352500              0.0317460
      8.5183240              0.0387620
      4.5190050              0.0146420
      2.3665910             -0.0606900
      1.2152350             -0.1356270
      0.6143480             -0.1751720
      0.3007450             -0.0771000
      0.1258340              0.5646910
      0.0547190              0.5410650
Sc    P
  22640.9700000              0.0000080
   5357.5450000              0.0000330
   1740.3730000              0.0001590
    666.6163000              0.0005920
    283.6384000              0.0022770
    129.7976000              0.0064620
     62.6795600              0.0186080
     31.5044100              0.0360080
     16.2352500              0.0694180
      8.5183240              0.0707610
      4.5190050              0.0575890
      2.3665910             -0.1767470
      1.2152350             -0.3333020
      0.6143480             -0.5698890
      0.3007450              1.1782580
      0.1258340              0.5507190
      0.0547190             -0.9782210
Sc    P
  22640.9700000             -0.0000090
   5357.5450000             -0.0000440
   1740.3730000             -0.0001670
    666.6163000             -0.0008330
    283.6384000             -0.0023500
    129.7976000             -0.0091880
     62.6795600             -0.0185450
     31.5044100             -0.0537550
     16.2352500             -0.0596530
      8.5183240             -0.1569490
      4.5190050              0.0129350
      2.3665910              0.0894440
      1.2152350              1.2768110
      0.6143480             -1.0591470
      0.3007450             -1.3241720
      0.1258340              2.3680990
      0.0547190             -1.1750710
Sc    P
      0.0234880              1.0000000
Sc    D
    148.0280000              0.0004900
     43.8528000              0.0041290
     16.6646000              0.0186860
      6.9789300              0.0578540
      3.1236900              0.1370780
      1.4468700              0.2310160
      0.6674070              0.2956830
      0.3016330              0.3047830
      0.1326740              0.2399250
      0.0567390              0.1100890
Sc    D
    148.0280000             -0.0005030
     43.8528000             -0.0042440
     16.6646000             -0.0192830
      6.9789300             -0.0603550
      3.1236900             -0.1437060
      1.4468700             -0.2301500
      0.6674070             -0.2631470
      0.3016330             -0.0555990
      0.1326740              0.4054920
      0.0567390              0.4846050
Sc    D
    148.0280000             -0.0006520
     43.8528000             -0.0054270
     16.6646000             -0.0252250
      6.9789300             -0.0772000
      3.1236900             -0.1898980
      1.4468700             -0.2877690
      0.6674070             -0.1763680
      0.3016330              0.5992450
      0.1326740              0.5002360
      0.0567390             -0.6733890
Sc    D
    148.0280000              0.0008350
     43.8528000              0.0083830
     16.6646000              0.0331020
      6.9789300              0.1257230
      3.1236900              0.2477730
      1.4468700              0.4535390
      0.6674070             -0.5351160
      0.3016330             -0.8932680
      0.1326740              1.4396580
      0.0567390             -0.4547520
Sc    D
      0.0231750              1.0000000
Sc    F
      1.3905000              1.0000000
Sc    F
      0.3921000              1.0000000
Sc    F
      0.1106000              1.0000000
Sc    G
      0.9757000              1.0000000
Sc    G
      0.2530000              1.0000000
Sc    H
      0.4934000              1.0000000
end
basis "Ti_cc-pvqz-dk" 
#basis SET: (148s,103p,41d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
Ti    S
9317034.0000000              0.0000480
1394971.0000000              0.0001370
 317453.1000000              0.0003690
  89921.0000000              0.0009180
  29338.1600000              0.0022650
  10592.6600000              0.0056370
   4132.0560000              0.0142060
   1714.2350000              0.0351600
    747.9151000              0.0813360
    340.1991000              0.1643130
    160.2060000              0.2627320
     77.5885100              0.2747630
     38.0448900              0.1433810
     17.3536200              0.0699260
      8.6420620              0.1217330
      4.3044040              0.0854080
      1.9377180              0.0109570
      0.9365940             -0.0003620
      0.4326240              0.0000950
      0.1073520             -0.0000310
      0.0520340              0.0000390
Ti    S
9317034.0000000             -0.0000270
1394971.0000000             -0.0000780
 317453.1000000             -0.0002090
  89921.0000000             -0.0005220
  29338.1600000             -0.0012900
  10592.6600000             -0.0032220
   4132.0560000             -0.0081580
   1714.2350000             -0.0204590
    747.9151000             -0.0484440
    340.1991000             -0.1033990
    160.2060000             -0.1841860
     77.5885100             -0.2439660
     38.0448900             -0.1550920
     17.3536200              0.1879170
      8.6420620              0.5361260
      4.3044040              0.3679910
      1.9377180              0.0494090
      0.9365940             -0.0038250
      0.4326240              0.0000870
      0.1073520             -0.0003080
      0.0520340              0.0002850
Ti    S
9317034.0000000              0.0000060
1394971.0000000              0.0000160
 317453.1000000              0.0000430
  89921.0000000              0.0001060
  29338.1600000              0.0002630
  10592.6600000              0.0006590
   4132.0560000              0.0016720
   1714.2350000              0.0042500
    747.9151000              0.0102280
    340.1991000              0.0228630
    160.2060000              0.0437150
     77.5885100              0.0667600
     38.0448900              0.0466230
     17.3536200             -0.0882470
      8.6420620             -0.3414970
      4.3044040             -0.3594440
      1.9377180              0.2370220
      0.9365940              0.6874350
      0.4326240              0.3500250
      0.1073520              0.0179040
      0.0520340             -0.0054380
Ti    S
9317034.0000000             -0.0000010
1394971.0000000             -0.0000040
 317453.1000000             -0.0000100
  89921.0000000             -0.0000250
  29338.1600000             -0.0000620
  10592.6600000             -0.0001560
   4132.0560000             -0.0003970
   1714.2350000             -0.0010080
    747.9151000             -0.0024260
    340.1991000             -0.0054310
    160.2060000             -0.0103860
     77.5885100             -0.0159460
     38.0448900             -0.0111360
     17.3536200              0.0212810
      8.6420620              0.0868200
      4.3044040              0.0946190
      1.9377180             -0.0736970
      0.9365940             -0.2412180
      0.4326240             -0.2563650
      0.1073520              0.3168670
      0.0520340              0.6062010
Ti    S
9317034.0000000             -0.0000020
1394971.0000000             -0.0000070
 317453.1000000             -0.0000190
  89921.0000000             -0.0000470
  29338.1600000             -0.0001140
  10592.6600000             -0.0002980
   4132.0560000             -0.0007100
   1714.2350000             -0.0019660
    747.9151000             -0.0042390
    340.1991000             -0.0108910
    160.2060000             -0.0173170
     77.5885100             -0.0346520
     38.0448900             -0.0106910
     17.3536200              0.0155810
      8.6420620              0.2245120
      4.3044040              0.0886640
      1.9377180              0.0159690
      0.9365940             -1.0519990
      0.4326240              0.3677290
      0.1073520              2.0024320
      0.0520340             -1.2263140
Ti    S
9317034.0000000             -0.0000040
1394971.0000000             -0.0000110
 317453.1000000             -0.0000290
  89921.0000000             -0.0000740
  29338.1600000             -0.0001770
  10592.6600000             -0.0004720
   4132.0560000             -0.0010940
   1714.2350000             -0.0031320
    747.9151000             -0.0064710
    340.1991000             -0.0175340
    160.2060000             -0.0259950
     77.5885100             -0.0574830
     38.0448900             -0.0112000
     17.3536200              0.0114700
      8.6420620              0.4086420
      4.3044040              0.1257640
      1.9377180             -0.1612930
      0.9365940             -2.2350150
      0.4326240              2.8573850
      0.1073520             -0.4826880
      0.0520340             -1.8788870
Ti    S
9317034.0000000             -0.0000040
1394971.0000000             -0.0000120
 317453.1000000             -0.0000330
  89921.0000000             -0.0000800
  29338.1600000             -0.0002080
  10592.6600000             -0.0004770
   4132.0560000             -0.0013800
   1714.2350000             -0.0029340
    747.9151000             -0.0088360
    340.1991000             -0.0148350
    160.2060000             -0.0412370
     77.5885100             -0.0353130
     38.0448900             -0.0745600
     17.3536200              0.1566220
      8.6420620              0.1970970
      4.3044040              0.7633560
      1.9377180             -2.1344110
      0.9365940              0.4049510
      0.4326240              2.1153220
      0.1073520             -5.0821820
      0.0520340              6.4423500
Ti    S
      0.0240380              1.0000000
Ti    P
  25537.3300000              0.0000410
   6042.2430000              0.0001750
   1962.6530000              0.0007800
    751.7338000              0.0030920
    319.8833000              0.0109090
    146.4300000              0.0332110
     70.7486100              0.0858830
     35.5908800              0.1795240
     18.3689300              0.2888880
      9.6586550              0.3276960
      5.1367300              0.2100700
      2.6988720              0.0549250
      1.3897030              0.0018240
      0.7031630             -0.0015830
      0.3441230             -0.0010010
      0.1413750             -0.0000600
      0.0607910             -0.0000160
Ti    P
  25537.3300000             -0.0000140
   6042.2430000             -0.0000590
   1962.6530000             -0.0002620
    751.7338000             -0.0010410
    319.8833000             -0.0036910
    146.4300000             -0.0113840
     70.7486100             -0.0300860
     35.5908800             -0.0650050
     18.3689300             -0.1085090
      9.6586550             -0.1312330
      5.1367300             -0.0513800
      2.6988720              0.1797250
      1.3897030              0.3962200
      0.7031630              0.3915750
      0.3441230              0.1730820
      0.1413750              0.0188130
      0.0607910             -0.0002960
Ti    P
  25537.3300000              0.0000030
   6042.2430000              0.0000140
   1962.6530000              0.0000630
    751.7338000              0.0002490
    319.8833000              0.0008880
    146.4300000              0.0027250
     70.7486100              0.0072650
     35.5908800              0.0156150
     18.3689300              0.0264500
      9.6586550              0.0317660
      5.1367300              0.0120800
      2.6988720             -0.0532040
      1.3897030             -0.1129400
      0.7031630             -0.1429220
      0.3441230             -0.0096270
      0.1413750              0.3540680
      0.0607910              0.5482170
Ti    P
  25537.3300000              0.0000040
   6042.2430000              0.0000180
   1962.6530000              0.0000790
    751.7338000              0.0003140
    319.8833000              0.0011130
    146.4300000              0.0034320
     70.7486100              0.0090940
     35.5908800              0.0196660
     18.3689300              0.0330480
      9.6586550              0.0402020
      5.1367300              0.0150120
      2.6988720             -0.0640970
      1.3897030             -0.1398750
      0.7031630             -0.1795270
      0.3441230             -0.0499880
      0.1413750              0.5710180
      0.0607910              0.5224460
Ti    P
  25537.3300000              0.0000080
   6042.2430000              0.0000340
   1962.6530000              0.0001610
    751.7338000              0.0005930
    319.8833000              0.0022830
    146.4300000              0.0064630
     70.7486100              0.0187630
     35.5908800              0.0364410
     18.3689300              0.0710110
      9.6586550              0.0710910
      5.1367300              0.0583500
      2.6988720             -0.1859340
      1.3897030             -0.3293680
      0.7031630             -0.5446980
      0.3441230              1.1603920
      0.1413750              0.5310260
      0.0607910             -0.9673130
Ti    P
  25537.3300000             -0.0000100
   6042.2430000             -0.0000450
   1962.6530000             -0.0001770
    751.7338000             -0.0008240
    319.8833000             -0.0024550
    146.4300000             -0.0090560
     70.7486100             -0.0196030
     35.5908800             -0.0531680
     18.3689300             -0.0659310
      9.6586550             -0.1487020
      5.1367300             -0.0224680
      2.6988720              0.1803870
      1.3897030              1.1704710
      0.7031630             -1.0091870
      0.3441230             -1.2804130
      0.1413750              2.2836230
      0.0607910             -1.1335330
Ti    P
      0.0258310              1.0000000
Ti    D
    199.9720000              0.0003870
     59.1869000              0.0033620
     22.6013000              0.0161370
      9.5739100              0.0519050
      4.3177100              0.1286240
      2.0237300              0.2291190
      0.9471690              0.3019170
      0.4338770              0.3096490
      0.1921260              0.2346190
      0.0814040              0.1048760
Ti    D
    199.9720000             -0.0003950
     59.1869000             -0.0034330
     22.6013000             -0.0165460
      9.5739100             -0.0538430
      4.3177100             -0.1356220
      2.0237300             -0.2281990
      0.9471690             -0.2563190
      0.4338770             -0.0539210
      0.1921260              0.3874070
      0.0814040              0.4995520
Ti    D
    199.9720000             -0.0006270
     59.1869000             -0.0054590
     22.6013000             -0.0266700
      9.5739100             -0.0882250
      4.3177100             -0.2246980
      2.0237300             -0.3285440
      0.9471690             -0.1158350
      0.4338770              0.6164880
      0.1921260              0.4178460
      0.0814040             -0.6084680
Ti    D
    199.9720000             -0.0007040
     59.1869000             -0.0070290
     22.6013000             -0.0306810
      9.5739100             -0.1179840
      4.3177100             -0.2736880
      2.0237300             -0.3822080
      0.9471690              0.5416700
      0.4338770              0.7650710
      0.1921260             -1.2834360
      0.0814040              0.2757400
Ti    D
      0.0322330              1.0000000
Ti    F
      2.2331000              1.0000000
Ti    F
      0.6332000              1.0000000
Ti    F
      0.1796000              1.0000000
Ti    G
      1.5503000              1.0000000
Ti    G
      0.3947000              1.0000000
Ti    H
      0.8524000              1.0000000
end
basis "V_cc-pvqz-dk" 
#basis SET: (148s,103p,41d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
V    S
10251780.0000000             0.0000510
1534920.0000000              0.0001450
 349300.9000000              0.0003880
  98942.0500000              0.0009590
  32281.3600000              0.0023460
  11655.2700000              0.0057780
   4546.5480000              0.0144180
   1886.1850000              0.0354410
    822.9417000              0.0817150
    374.3439000              0.1649650
    176.3069000              0.2641750
     85.4066100              0.2776330
     41.9043500              0.1460600
     19.1552500              0.0683250
      9.5716170              0.1153650
      4.7800860              0.0802700
      2.1618600              0.0102060
      1.0427110             -0.0003070
      0.4802820              0.0000610
      0.1176380             -0.0000200
      0.0561740              0.0000370
V    S
10251780.0000000            -0.0000280
1534920.0000000             -0.0000800
 349300.9000000             -0.0002150
  98942.0500000             -0.0005330
  32281.3600000             -0.0013050
  11655.2700000             -0.0032250
   4546.5480000             -0.0080890
   1886.1850000             -0.0201520
    822.9417000             -0.0475820
    374.3439000             -0.1015860
    176.3069000             -0.1814790
     85.4066100             -0.2418400
     41.9043500             -0.1546910
     19.1552500              0.1906220
      9.5716170              0.5397270
      4.7800860              0.3667050
      2.1618600              0.0489360
      1.0427110             -0.0037570
      0.4802820             -0.0000410
      0.1176380             -0.0002620
      0.0561740              0.0002880
V    S
10251780.0000000             0.0000060
1534920.0000000              0.0000170
 349300.9000000              0.0000450
  98942.0500000              0.0001130
  32281.3600000              0.0002760
  11655.2700000              0.0006850
   4546.5480000              0.0017220
   1886.1850000              0.0043460
    822.9417000              0.0104260
    374.3439000              0.0232820
    176.3069000              0.0445480
     85.4066100              0.0681470
     41.9043500              0.0477830
     19.1552500             -0.0909640
      9.5716170             -0.3509110
      4.7800860             -0.3582080
      2.1618600              0.2523820
      1.0427110              0.6881350
      0.4802820              0.3404340
      0.1176380              0.0167320
      0.0561740             -0.0049670
V    S
10251780.0000000            -0.0000010
1534920.0000000             -0.0000040
 349300.9000000             -0.0000110
  98942.0500000             -0.0000260
  32281.3600000             -0.0000640
  11655.2700000             -0.0001590
   4546.5480000             -0.0004010
   1886.1850000             -0.0010120
    822.9417000             -0.0024260
    374.3439000             -0.0054310
    176.3069000             -0.0103840
     85.4066100             -0.0159960
     41.9043500             -0.0111760
     19.1552500              0.0214850
      9.5716170              0.0878790
      4.7800860              0.0922920
      2.1618600             -0.0762840
      1.0427110             -0.2409190
      0.4802820             -0.2425420
      0.1176380              0.3201900
      0.0561740              0.5991660
V    S
10251780.0000000            -0.0000030
1534920.0000000             -0.0000080
 349300.9000000             -0.0000200
  98942.0500000             -0.0000510
  32281.3600000             -0.0001220
  11655.2700000             -0.0003180
   4546.5480000             -0.0007480
   1886.1850000             -0.0020610
    822.9417000             -0.0044150
    374.3439000             -0.0113810
    176.3069000             -0.0180080
     85.4066100             -0.0363880
     41.9043500             -0.0109160
     19.1552500              0.0158660
      9.5716170              0.2385610
      4.7800860              0.0861270
      2.1618600              0.0045110
      1.0427110             -1.0936470
      0.4802820              0.4530570
      0.1176380              1.9309090
      0.0561740             -1.2327630
V    S
10251780.0000000            -0.0000040
1534920.0000000             -0.0000120
 349300.9000000             -0.0000320
  98942.0500000             -0.0000810
  32281.3600000             -0.0001910
  11655.2700000             -0.0005020
   4546.5480000             -0.0011630
   1886.1850000             -0.0032710
    822.9417000             -0.0068350
    374.3439000             -0.0181850
    176.3069000             -0.0276530
     85.4066100             -0.0593360
     41.9043500             -0.0139910
     19.1552500              0.0177810
      9.5716170              0.4239440
      4.7800860              0.1443250
      2.1618600             -0.2717610
      1.0427110             -2.1448410
      0.4802820              2.9061280
      0.1176380             -0.7881850
      0.0561740             -1.4659060
V    S
10251780.0000000            -0.0000050
1534920.0000000             -0.0000140
 349300.9000000             -0.0000370
  98942.0500000             -0.0000890
  32281.3600000             -0.0002320
  11655.2700000             -0.0005200
   4546.5480000             -0.0015180
   1886.1850000             -0.0031210
    822.9417000             -0.0096880
    374.3439000             -0.0155290
    176.3069000             -0.0457170
     85.4066100             -0.0354600
     41.9043500             -0.0871400
     19.1552500              0.1876050
      9.5716170              0.2022650
      4.7800860              0.8408220
      2.1618600             -2.5807070
      1.0427110              1.1903460
      0.4802820              1.4732050
      0.1176380             -4.5441610
      0.0561740              5.9967610
V    S
      0.0256610              1.0000000
V    P
  28563.3200000              0.0000430
   6757.1910000              0.0001780
   2194.6520000              0.0007810
    840.5257000              0.0030620
    357.6666000              0.0107680
    163.7534000              0.0327920
     79.1446600              0.0850360
     39.8385800              0.1785820
     20.5853600              0.2887830
     10.8430700              0.3282520
      5.7779690              0.2104570
      3.0431700              0.0551900
      1.5702390              0.0018830
      0.7949750             -0.0016270
      0.3889800             -0.0010070
      0.1573350             -0.0000620
      0.0665830             -0.0000130
V    P
  28563.3200000             -0.0000150
   6757.1910000             -0.0000610
   2194.6520000             -0.0002670
    840.5257000             -0.0010490
    357.6666000             -0.0037070
    163.7534000             -0.0114380
     79.1446600             -0.0303200
     39.8385800             -0.0658710
     20.5853600             -0.1106360
     10.8430700             -0.1337960
      5.7779690             -0.0504700
      3.0431700              0.1841380
      1.5702390              0.3986760
      0.7949750              0.3877830
      0.3889800              0.1710070
      0.1573350              0.0185650
      0.0665830             -0.0005590
V    P
  28563.3200000              0.0000040
   6757.1910000              0.0000150
   2194.6520000              0.0000650
    840.5257000              0.0002520
    357.6666000              0.0008980
    163.7534000              0.0027560
     79.1446600              0.0073760
     39.8385800              0.0159330
     20.5853600              0.0271950
     10.8430700              0.0325940
      5.7779690              0.0118210
      3.0431700             -0.0558370
      1.5702390             -0.1156350
      0.7949750             -0.1386370
      0.3889800              0.0022130
      0.1573350              0.3520420
      0.0665830              0.5411560
V    P
  28563.3200000              0.0000040
   6757.1910000              0.0000180
   2194.6520000              0.0000810
    840.5257000              0.0003180
    357.6666000              0.0011240
    163.7534000              0.0034680
     79.1446600              0.0092140
     39.8385800              0.0200460
     20.5853600              0.0338840
     10.8430700              0.0412880
      5.7779690              0.0147000
      3.0431700             -0.0662180
      1.5702390             -0.1436870
      0.7949750             -0.1780180
      0.3889800             -0.0335830
      0.1573350              0.5764400
      0.0665830              0.5110710
V    P
  28563.3200000              0.0000090
   6757.1910000              0.0000360
   2194.6520000              0.0001680
    840.5257000              0.0006150
    357.6666000              0.0023560
    163.7534000              0.0066770
     79.1446600              0.0194410
     39.8385800              0.0380200
     20.5853600              0.0743940
     10.8430700              0.0746660
      5.7779690              0.0596980
      3.0431700             -0.2028460
      1.5702390             -0.3467910
      0.7949750             -0.4971730
      0.3889800              1.1593020
      0.1573350              0.4791120
      0.0665830             -0.9455920
V    P
  28563.3200000             -0.0000110
   6757.1910000             -0.0000500
   2194.6520000             -0.0001900
    840.5257000             -0.0008750
    357.6666000             -0.0026070
    163.7534000             -0.0096130
     79.1446600             -0.0209460
     39.8385800             -0.0570950
     20.5853600             -0.0712500
     10.8430700             -0.1585200
      5.7779690             -0.0187930
      3.0431700              0.2409470
      1.5702390              1.1423850
      0.7949750             -1.1366200
      0.3889800             -1.0774880
      0.1573350              2.1602070
      0.0665830             -1.1313370
V    P
      0.0278440              1.0000000
V    D
    244.3470000              0.0003510
     72.2926000              0.0030850
     27.6493000              0.0152580
     11.7778000              0.0502450
      5.3373100              0.1265230
      2.5176000              0.2292800
      1.1888100              0.3034060
      0.5499670              0.3088670
      0.2457380              0.2310890
      0.1045040              0.1037090
V    D
    244.3470000             -0.0003720
     72.2926000             -0.0032770
     27.6493000             -0.0162790
     11.7778000             -0.0543160
      5.3373100             -0.1399110
      2.5176000             -0.2390000
      1.1888100             -0.2538070
      0.5499670             -0.0303220
      0.2457380              0.3839470
      0.1045040              0.4879820
V    D
    244.3470000             -0.0005750
     72.2926000             -0.0050770
     27.6493000             -0.0255170
     11.7778000             -0.0868340
      5.3373100             -0.2285650
      2.5176000             -0.3376560
      1.1888100             -0.0917660
      0.5499670              0.6199220
      0.2457380              0.3937470
      0.1045040             -0.6029800
V    D
    244.3470000             -0.0007310
     72.2926000             -0.0070950
     27.6493000             -0.0331860
     11.7778000             -0.1269420
      5.3373100             -0.3250860
      2.5176000             -0.3625000
      1.1888100              0.6689130
      0.5499670              0.6037430
      0.2457380             -1.2164810
      0.1045040              0.2817010
V    D
      0.0411450              1.0000000
V    F
      3.0318000              1.0000000
V    F
      0.8733000              1.0000000
V    F
      0.2516000              1.0000000
V    G
      2.1265000              1.0000000
V    G
      0.5564000              1.0000000
V    H
      1.2875000              1.0000000
end
basis "Cr_cc-pvqz-dk" 
#basis SET: (148s,103p,41d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
Cr    S
11016640.0000000             0.0000540
1649423.0000000              0.0001540
 375358.9000000              0.0004120
 106323.6000000              0.0010120
  34689.7600000              0.0024600
  12524.8300000              0.0060080
   4885.7520000              0.0148700
   2026.9180000              0.0363090
    884.3645000              0.0833080
    402.3170000              0.1673620
    189.5271000              0.2661030
     91.8609500              0.2761380
     45.1247600              0.1429680
     20.6251200              0.0695690
     10.3197300              0.1153580
      5.1577230              0.0760500
      2.3126280              0.0089700
      1.1030790             -0.0002630
      0.4980420              0.0000710
      0.1182470             -0.0000110
      0.0573560              0.0000400
Cr    S
11016640.0000000            -0.0000300
1649423.0000000             -0.0000860
 375358.9000000             -0.0002280
 106323.6000000             -0.0005620
  34689.7600000             -0.0013670
  12524.8300000             -0.0033520
   4885.7520000             -0.0083390
   2026.9180000             -0.0206480
    884.3645000             -0.0485430
    402.3170000             -0.1032880
    189.5271000             -0.1836520
     91.8609500             -0.2426780
     45.1247600             -0.1497000
     20.6251200              0.2061910
     10.3197300              0.5462950
      5.1577230              0.3519330
      2.3126280              0.0434510
      1.1030790             -0.0034870
      0.4980420              0.0000520
      0.1182470             -0.0001960
      0.0573560              0.0002860
Cr    S
11016640.0000000             0.0000060
1649423.0000000              0.0000180
 375358.9000000              0.0000490
 106323.6000000              0.0001210
  34689.7600000              0.0002940
  12524.8300000              0.0007250
   4885.7520000              0.0018090
   2026.9180000              0.0045400
    884.3645000              0.0108370
    402.3170000              0.0241590
    189.5271000              0.0459620
     91.8609500              0.0698970
     45.1247600              0.0466910
     20.6251200             -0.0999290
     10.3197300             -0.3685700
      5.1577230             -0.3424530
      2.3126280              0.2985130
      1.1030790              0.6976530
      0.4980420              0.2956920
      0.1182470              0.0095900
      0.0573560             -0.0010750
Cr    S
11016640.0000000            -0.0000010
1649423.0000000             -0.0000040
 375358.9000000             -0.0000110
 106323.6000000             -0.0000280
  34689.7600000             -0.0000670
  12524.8300000             -0.0001660
   4885.7520000             -0.0004120
   2026.9180000             -0.0010390
    884.3645000             -0.0024630
    402.3170000             -0.0055480
    189.5271000             -0.0104380
     91.8609500             -0.0162390
     45.1247600             -0.0103850
     20.6251200              0.0224250
     10.3197300              0.0924750
      5.1577230              0.0833650
      2.3126280             -0.0821470
      1.1030790             -0.2590250
      0.4980420             -0.2041760
      0.1182470              0.3777770
      0.0573560              0.5588970
Cr    S
11016640.0000000            -0.0000030
1649423.0000000             -0.0000080
 375358.9000000             -0.0000220
 106323.6000000             -0.0000550
  34689.7600000             -0.0001310
  12524.8300000             -0.0003380
   4885.7520000             -0.0007860
   2026.9180000             -0.0021660
    884.3645000             -0.0045870
    402.3170000             -0.0119040
    189.5271000             -0.0184920
     91.8609500             -0.0378720
     45.1247600             -0.0093630
     20.6251200              0.0177020
     10.3197300              0.2547990
      5.1577230              0.0707240
      2.3126280             -0.0257070
      1.1030790             -1.1363580
      0.4980420              0.6281400
      0.1182470              1.8833370
      0.0573560             -1.3929490
Cr    S
11016640.0000000            -0.0000050
1649423.0000000             -0.0000130
 375358.9000000             -0.0000350
 106323.6000000             -0.0000870
  34689.7600000             -0.0002080
  12524.8300000             -0.0005320
   4885.7520000             -0.0012540
   2026.9180000             -0.0033990
    884.3645000             -0.0073610
    402.3170000             -0.0186100
    189.5271000             -0.0301280
     91.8609500             -0.0587280
     45.1247600             -0.0190270
     20.6251200              0.0388480
     10.3197300              0.4187920
      5.1577230              0.1853590
      2.3126280             -0.5215690
      1.1030790             -1.8075870
      0.4980420              2.8725050
      0.1182470             -1.3448820
      0.0573560             -0.7200920
Cr    S
11016640.0000000            -0.0000050
1649423.0000000             -0.0000150
 375358.9000000             -0.0000420
 106323.6000000             -0.0000990
  34689.7600000             -0.0002590
  12524.8300000             -0.0005660
   4885.7520000             -0.0016830
   2026.9180000             -0.0033080
    884.3645000             -0.0107390
    402.3170000             -0.0160340
    189.5271000             -0.0511580
     91.8609500             -0.0331430
     45.1247600             -0.1014980
     20.6251200              0.2332710
     10.3197300              0.2014630
      5.1577230              0.8803140
      2.3126280             -3.1030870
      1.1030790              2.3290390
      0.4980420              0.4451650
      0.1182470             -3.8882070
      0.0573560              5.5615460
Cr    S
      0.0257600              1.0000000
Cr    P
  31539.8900000              0.0000460
   7460.2340000              0.0001840
   2422.6220000              0.0007930
    927.7547000              0.0030740
    394.8041000              0.0107650
    180.8027000              0.0327480
     87.4239300              0.0849950
     44.0342700              0.1788510
     22.7770400              0.2896740
     12.0154700              0.3283500
      6.4117510              0.2090050
      3.3811360              0.0543940
      1.7470540              0.0020050
      0.8850040             -0.0014380
      0.4330280             -0.0009110
      0.1739620             -0.0000520
      0.0728230             -0.0000120
Cr    P
  31539.8900000             -0.0000160
   7460.2340000             -0.0000640
   2422.6220000             -0.0002750
    927.7547000             -0.0010700
    394.8041000             -0.0037650
    180.8027000             -0.0116070
     87.4239300             -0.0308030
     44.0342700             -0.0671020
     22.7770400             -0.1130240
     12.0154700             -0.1359580
      6.4117510             -0.0478150
      3.3811360              0.1907310
      1.7470540              0.4011900
      0.8850040              0.3827710
      0.4330280              0.1674310
      0.1739620              0.0180400
      0.0728230             -0.0006540
Cr    P
  31539.8900000              0.0000040
   7460.2340000              0.0000150
   2422.6220000              0.0000650
    927.7547000              0.0002520
    394.8041000              0.0008930
    180.8027000              0.0027370
     87.4239300              0.0073310
     44.0342700              0.0158860
     22.7770400              0.0271800
     12.0154700              0.0324270
      6.4117510              0.0108710
      3.3811360             -0.0565060
      1.7470540             -0.1144660
      0.8850040             -0.1329640
      0.4330280              0.0047140
      0.1739620              0.3440550
      0.0728230              0.5412790
Cr    P
  31539.8900000              0.0000050
   7460.2340000              0.0000190
   2422.6220000              0.0000830
    927.7547000              0.0003250
    394.8041000              0.0011440
    180.8027000              0.0035350
     87.4239300              0.0093750
     44.0342700              0.0205310
     22.7770400              0.0346480
     12.0154700              0.0423890
      6.4117510              0.0133730
      3.3811360             -0.0684010
      1.7470540             -0.1487620
      0.8850040             -0.1732490
      0.4330280             -0.0207630
      0.1739620              0.5782720
      0.0728230              0.5031920
Cr    P
  31539.8900000              0.0000100
   7460.2340000              0.0000390
   2422.6220000              0.0001790
    927.7547000              0.0006500
    394.8041000              0.0024720
    180.8027000              0.0070230
     87.4239300              0.0204050
     44.0342700              0.0402100
     22.7770400              0.0784580
     12.0154700              0.0794720
      6.4117510              0.0588510
      3.3811360             -0.2240270
      1.7470540             -0.3702630
      0.8850040             -0.4376700
      0.4330280              1.1645370
      0.1739620              0.4154860
      0.0728230             -0.9143280
Cr    P
  31539.8900000             -0.0000130
   7460.2340000             -0.0000540
   2422.6220000             -0.0002070
    927.7547000             -0.0009320
    394.8041000             -0.0027990
    180.8027000             -0.0101970
     87.4239300             -0.0225810
     44.0342700             -0.0608530
     22.7770400             -0.0779640
     12.0154700             -0.1676820
      6.4117510             -0.0107790
      3.3811360              0.3109570
      1.7470540              1.0976240
      0.8850040             -1.2795560
      0.4330280             -0.8569200
      0.1739620              2.0411650
      0.0728230             -1.1202710
Cr    P
      0.0299520              1.0000000
Cr    D
    281.3120000              0.0003470
     83.1885000              0.0030700
     31.8396000              0.0153950
     13.6026000              0.0513190
      6.1829800              0.1296680
      2.9227000              0.2347810
      1.3821600              0.3080430
      0.6394600              0.3080560
      0.2848980              0.2239250
      0.1200450              0.0946790
Cr    D
    281.3120000             -0.0003940
     83.1885000             -0.0034940
     31.8396000             -0.0175900
     13.6026000             -0.0596210
      6.1829800             -0.1545140
      2.9227000             -0.2603230
      1.3821600             -0.2500610
      0.6394600              0.0227810
      0.2848980              0.4192340
      0.1200450              0.4520610
Cr    D
    281.3120000             -0.0005630
     83.1885000             -0.0050080
     31.8396000             -0.0254920
     13.6026000             -0.0881820
      6.1829800             -0.2353990
      2.9227000             -0.3396410
      1.3821600             -0.0376150
      0.6394600              0.6602460
      0.2848980              0.2965440
      0.1200450             -0.6557610
Cr    D
    281.3120000              0.0007970
     83.1885000              0.0076390
     31.8396000              0.0369700
     13.6026000              0.1424390
      6.1829800              0.3758710
      2.9227000              0.3231850
      1.3821600             -0.8334330
      0.6394600             -0.3730540
      0.2848980              1.2135530
      0.1200450             -0.4829450
Cr    D
      0.0462290              1.0000000
Cr    F
      3.7289000              1.0000000
Cr    F
      1.0824000              1.0000000
Cr    F
      0.3142000              1.0000000
Cr    G
      2.5880000              1.0000000
Cr    G
      0.6848000              1.0000000
Cr    H
      1.6472000              1.0000000
end
basis "Mn_cc-pvqz-dk" 
#basis SET: (148s,103p,41d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
Mn    S
12210500.0000000             0.0000580
1828157.0000000              0.0001650
 416030.3000000              0.0004380
 117843.6000000              0.0010700
  38448.1400000              0.0025760
  13881.7100000              0.0062270
   5415.0020000              0.0152550
   2246.4600000              0.0369930
    980.1463000              0.0847020
    445.8952000              0.1707500
    210.0558000              0.2743970
    101.8046000              0.2920430
     50.0112600              0.1562220
     22.9393900              0.0570620
     11.5226400              0.0808350
      5.7763380              0.0554240
      2.6259590              0.0066290
      1.2603220             -0.0002790
      0.5771300             -0.0000720
      0.1365820             -0.0000030
      0.0635350              0.0000180
Mn    S
12210500.0000000            -0.0000280
1828157.0000000             -0.0000790
 416030.3000000             -0.0002090
 117843.6000000             -0.0005120
  38448.1400000             -0.0012360
  13881.7100000             -0.0030000
   5415.0020000             -0.0073920
   2246.4600000             -0.0181990
    980.1463000             -0.0427750
    445.8952000             -0.0916740
    210.0558000             -0.1657000
    101.8046000             -0.2259060
     50.0112600             -0.1460020
     22.9393900              0.2013410
     11.5226400              0.5511090
      5.7763380              0.3649400
      2.6259590              0.0468620
      1.2603220             -0.0049100
      0.5771300             -0.0008110
      0.1365820             -0.0002310
      0.0635350              0.0002610
Mn    S
12210500.0000000             0.0000070
1828157.0000000              0.0000190
 416030.3000000              0.0000510
 117843.6000000              0.0001250
  38448.1400000              0.0003020
  13881.7100000              0.0007350
   5415.0020000              0.0018160
   2246.4600000              0.0045200
    980.1463000              0.0107630
    445.8952000              0.0239650
    210.0558000              0.0458380
    101.8046000              0.0701710
     50.0112600              0.0489920
     22.9393900             -0.0969430
     11.5226400             -0.3667830
      5.7763380             -0.3506890
      2.6259590              0.2826890
      1.2603220              0.6877440
      0.5771300              0.3208270
      0.1365820              0.0142970
      0.0635350             -0.0039610
Mn    S
12210500.0000000            -0.0000020
1828157.0000000             -0.0000040
 416030.3000000             -0.0000110
 117843.6000000             -0.0000280
  38448.1400000             -0.0000670
  13881.7100000             -0.0001640
   5415.0020000             -0.0004050
   2246.4600000             -0.0010090
    980.1463000             -0.0023990
    445.8952000             -0.0053570
    210.0558000             -0.0102290
    101.8046000             -0.0157930
     50.0112600             -0.0109470
     22.9393900              0.0218960
     11.5226400              0.0881540
      5.7763380              0.0858360
      2.6259590             -0.0805790
      1.2603220             -0.2334220
      0.5771300             -0.2180350
      0.1365820              0.3213000
      0.0635350              0.5871860
Mn    S
12210500.0000000            -0.0000030
1828157.0000000             -0.0000090
 416030.3000000             -0.0000230
 117843.6000000             -0.0000570
  38448.1400000             -0.0001340
  13881.7100000             -0.0003410
   5415.0020000             -0.0007900
   2246.4600000             -0.0021450
    980.1463000             -0.0045600
    445.8952000             -0.0117340
    210.0558000             -0.0185180
    101.8046000             -0.0375870
     50.0112600             -0.0109190
     22.9393900              0.0172930
     11.5226400              0.2491810
      5.7763380              0.0803670
      2.6259590             -0.0187700
      1.2603220             -1.0968980
      0.5771300              0.5280050
      0.1365820              1.8057720
      0.0635350             -1.1683710
Mn    S
12210500.0000000            -0.0000050
1828157.0000000             -0.0000140
 416030.3000000             -0.0000370
 117843.6000000             -0.0000910
  38448.1400000             -0.0002130
  13881.7100000             -0.0005440
   5415.0020000             -0.0012540
   2246.4600000             -0.0034240
    980.1463000             -0.0072400
    445.8952000             -0.0187740
    210.0558000             -0.0294560
    101.8046000             -0.0606780
     50.0112600             -0.0172460
     22.9393900              0.0278370
     11.5226400              0.4339450
      5.7763380              0.1645920
      2.6259590             -0.4097160
      1.2603220             -1.9645600
      0.5771300              2.8395490
      0.1365820             -0.9662380
      0.0635350             -1.1393420
Mn    S
12210500.0000000            -0.0000060
1828157.0000000             -0.0000160
 416030.3000000             -0.0000440
 117843.6000000             -0.0001040
  38448.1400000             -0.0002660
  13881.7100000             -0.0005870
   5415.0020000             -0.0016770
   2246.4600000             -0.0034070
    980.1463000             -0.0105060
    445.8952000             -0.0167510
    210.0558000             -0.0495550
    101.8046000             -0.0381420
     50.0112600             -0.0951520
     22.9393900              0.2112910
     11.5226400              0.2315620
      5.7763380              0.8752810
      2.6259590             -2.9729550
      1.2603220              1.9405330
      0.5771300              0.8065440
      0.1365820             -3.8652740
      0.0635350              5.3654950
Mn    S
      0.0285210              1.0000000
Mn    P
  35005.1200000              0.0000480
   8279.4620000              0.0001870
   2688.4650000              0.0007950
   1029.4900000              0.0030450
    438.0708000              0.0106220
    200.6153000              0.0323120
     97.0076900              0.0841060
     48.8705200              0.1778670
     25.2928100              0.2896740
     13.3538200              0.3295160
      7.1317860              0.2101060
      3.7643650              0.0543090
      1.9462650              0.0009210
      0.9854550             -0.0025450
      0.4818650             -0.0013860
      0.18822219            -0.0001010
      0.07753957            -0.0000060
Mn    P
  35005.1200000             -0.0000170
   8279.4620000             -0.0000650
   2688.4650000             -0.0002760
   1029.4900000             -0.0010630
    438.0708000             -0.0037280
    200.6153000             -0.0114960
     97.0076900             -0.0306030
     48.8705200             -0.0670670
     25.2928100             -0.1137030
     13.3538200             -0.1370730
      7.1317860             -0.0467790
      3.7643650              0.1938100
      1.9462650              0.4032800
      0.9854550              0.3802000
      0.4818650              0.1659910
      0.18822219             0.0176060
      0.07753957            -0.0009790
Mn    P
  35005.1200000             -0.0000040
   8279.4620000             -0.0000150
   2688.4650000             -0.0000640
   1029.4900000             -0.0002440
    438.0708000             -0.0008620
    200.6153000             -0.0026400
     97.0076900             -0.0071040
     48.8705200             -0.0154490
     25.2928100             -0.0266700
     13.3538200             -0.0317120
      7.1317860             -0.0106380
      3.7643650              0.0556750
      1.9462650              0.1103720
      0.9854550              0.1279880
      0.4818650             -0.0059250
      0.18822219            -0.3403060
      0.07753957            -0.5399780
Mn    P
  35005.1200000              0.0000050
   8279.4620000              0.0000200
   2688.4650000              0.0000870
   1029.4900000              0.0003310
    438.0708000              0.0011680
    200.6153000              0.0035830
     97.0076900              0.0096140
     48.8705200              0.0209630
     25.2928100              0.0360950
     13.3538200              0.0432600
      7.1317860              0.0145930
      3.7643650             -0.0739170
      1.9462650             -0.1508130
      0.9854550             -0.1784340
      0.4818650              0.0078630
      0.18822219             0.5895700
      0.07753957             0.4812390
Mn    P
  35005.1200000              0.0000110
   8279.4620000              0.0000420
   2688.4650000              0.0001890
   1029.4900000              0.0006700
    438.0708000              0.0025720
    200.6153000              0.0072120
     97.0076900              0.0213320
     48.8705200              0.0415820
     25.2928100              0.0832960
     13.3538200              0.0812140
      7.1317860              0.0663900
      3.7643650             -0.2544520
      1.9462650             -0.3788380
      0.9854550             -0.3911210
      0.4818650              1.1724280
      0.18822219             0.3433290
      0.07753957            -0.8913400
Mn    P
  35005.1200000             -0.0000150
   8279.4620000             -0.0000600
   2688.4650000             -0.0002330
   1029.4900000             -0.0009920
    438.0708000             -0.0031070
    200.6153000             -0.0108160
     97.0076900             -0.0253500
     48.8705200             -0.0647510
     25.2928100             -0.0906570
     13.3538200             -0.1700890
      7.1317860             -0.0386240
      3.7643650              0.4446210
      1.9462650              1.0592000
      0.9854550             -1.5463780
      0.4818650             -0.4568530
      0.18822219             1.7988000
      0.07753957            -1.0962300
Mn    P
      0.03154945             1.0000000
Mn    D
    313.1090000              0.0003590
     92.5276000              0.0031830
     35.4191000              0.0160470
     15.1577000              0.0537480
      6.9096400              0.1349810
      3.2725600              0.2407980
      1.5493600              0.3099540
      0.7170940              0.3033480
      0.3193100              0.2162990
      0.1341570              0.0917180
Mn    D
    313.1090000             -0.0003660
     92.5276000             -0.0032550
     35.4191000             -0.0164410
     15.1577000             -0.0558650
      6.9096400             -0.1438070
      3.2725600             -0.2453650
      1.5493600             -0.2370140
      0.7170940              0.0168210
      0.3193100              0.3826800
      0.1341570              0.4703680
Mn    D
    313.1090000             -0.0005780
     92.5276000             -0.0051700
     35.4191000             -0.0263440
     15.1577000             -0.0919750
      6.9096400             -0.2428130
      3.2725600             -0.3418720
      1.5493600             -0.0269540
      0.7170940              0.6038520
      0.3193100              0.3360190
      0.1341570             -0.5511860
Mn    D
    313.1090000             -0.0007350
     92.5276000             -0.0066420
     35.4191000             -0.0338840
     15.1577000             -0.1226080
      6.9096400             -0.3500800
      3.2725600             -0.3191570
      1.5493600              0.7228530
      0.7170940              0.4559420
      0.3193100             -1.0589930
      0.1341570              0.1545530
Mn    D
      0.0514000              1.0000000
Mn    F
      4.4261000              1.0000000
Mn    F
      1.2989000              1.0000000
Mn    F
      0.3812000              1.0000000
Mn    G
      3.1273000              1.0000000
Mn    G
      0.8520000              1.0000000
Mn    H
      1.9660000              1.0000000
end
basis "Fe_cc-pvqz-dk" 
#basis SET: (148s,103p,41d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
Fe    S
      0.1327714E+08          0.0000600
1987888.0000000              0.0001700
 452387.1000000              0.0004500
 128143.7000000              0.0010930
  41809.1700000              0.0026130
  15095.3300000              0.0062600
   5888.4380000              0.0151950
   2442.8760000              0.0365770
   1065.8570000              0.0833750
    484.9096000              0.1676340
    228.4585000              0.2688600
    110.7453000              0.2852350
     54.4311600              0.1525320
     25.0109600              0.0633810
     12.5926200              0.0967240
      6.3232020              0.0654700
      2.8833840              0.0079630
      1.3828680             -0.0002530
      0.6322010             -0.0000320
      0.1492380             -0.0000070
      0.0684940              0.0000190
Fe    S
      0.1327714E+08         -0.0000310
1987888.0000000             -0.0000880
 452387.1000000             -0.0002320
 128143.7000000             -0.0005650
  41809.1700000             -0.0013530
  15095.3300000             -0.0032560
   5888.4380000             -0.0079480
   2442.8760000             -0.0194130
   1065.8570000             -0.0453820
    484.9096000             -0.0967990
    228.4585000             -0.1739720
    110.7453000             -0.2350940
     54.4311600             -0.1511880
     25.0109600              0.2012780
     12.5926200              0.5494000
      6.3232020              0.3609330
      2.8833840              0.0465600
      1.3828680             -0.0040160
      0.6322010             -0.0004730
      0.1492380             -0.0002090
      0.0684940              0.0002150
Fe    S
      0.1327714E+08          0.0000070
1987888.0000000              0.0000210
 452387.1000000              0.0000540
 128143.7000000              0.0001320
  41809.1700000              0.0003160
  15095.3300000              0.0007640
   5888.4380000              0.0018690
   2442.8760000              0.0046210
   1065.8570000              0.0109610
    484.9096000              0.0243640
    228.4585000              0.0465960
    110.7453000              0.0713740
     54.4311600              0.0498900
     25.0109600             -0.0995880
     12.5926200             -0.3739230
      6.3232020             -0.3489040
      2.8833840              0.2920800
      1.3828680              0.6871120
      0.6322010              0.3152790
      0.1492380              0.0138550
      0.0684940             -0.0034390
Fe    S
      0.1327714E+08         -0.0000020
1987888.0000000             -0.0000040
 452387.1000000             -0.0000120
 128143.7000000             -0.0000290
  41809.1700000             -0.0000690
  15095.3300000             -0.0001670
   5888.4380000             -0.0004080
   2442.8760000             -0.0010090
   1065.8570000             -0.0023900
    484.9096000             -0.0053290
    228.4585000             -0.0101780
    110.7453000             -0.0157200
     54.4311600             -0.0109200
     25.0109600              0.0220630
     12.5926200              0.0880750
      6.3232020              0.0836500
      2.8833840             -0.0817500
      1.3828680             -0.2293920
      0.6322010             -0.2098240
      0.1492380              0.3095030
      0.0684940              0.5849850
Fe    S
      0.1327714E+08         -0.0000030
1987888.0000000             -0.0000090
 452387.1000000             -0.0000240
 128143.7000000             -0.0000590
  41809.1700000             -0.0001370
  15095.3300000             -0.0003440
   5888.4380000             -0.0007940
   2442.8760000             -0.0021300
   1065.8570000             -0.0045440
    484.9096000             -0.0115700
    228.4585000             -0.0184810
    110.7453000             -0.0369330
     54.4311600             -0.0115290
     25.0109600              0.0192290
     12.5926200              0.2443040
      6.3232020              0.0827020
      2.8833840             -0.0399450
      1.3828680             -1.0397040
      0.6322010              0.4953030
      0.1492380              1.6957440
      0.0684940             -0.9636980
Fe    S
      0.1327714E+08         -0.0000050
1987888.0000000             -0.0000150
 452387.1000000             -0.0000390
 128143.7000000             -0.0000960
  41809.1700000             -0.0002240
  15095.3300000             -0.0005620
   5888.4380000             -0.0013010
   2442.8760000             -0.0034750
   1065.8570000             -0.0074620
    484.9096000             -0.0188700
    228.4585000             -0.0305680
    110.7453000             -0.0602890
     54.4311600             -0.0205920
     25.0109600              0.0357860
     12.5926200              0.4216870
      6.3232020              0.2092330
      2.8833840             -0.4975030
      1.3828680             -1.8683190
      0.6322010              2.7545840
      0.1492380             -0.8331090
      0.0684940             -1.2311520
Fe    S
      0.1327714E+08         -0.0000060
1987888.0000000             -0.0000170
 452387.1000000             -0.0000450
 128143.7000000             -0.0001070
  41809.1700000             -0.0002720
  15095.3300000             -0.0005940
   5888.4380000             -0.0016900
   2442.8760000             -0.0033830
   1065.8570000             -0.0105020
    484.9096000             -0.0164400
    228.4585000             -0.0496220
    110.7453000             -0.0365410
     54.4311600             -0.0969090
     25.0109600              0.2140750
     12.5926200              0.2010450
      6.3232020              0.9699410
      2.8833840             -3.1426280
      1.3828680              2.1267050
      0.6322010              0.6989570
      0.1492380             -3.7298890
      0.0684940              5.1457330
Fe    S
      0.0303810              1.0000000
Fe    P
  38282.0500000              0.0000510
   9061.5560000              0.0001930
   2944.4500000              0.0008070
   1128.1580000              0.0030540
    480.3380000              0.0105910
    220.1368000              0.0321420
    106.5482000              0.0836490
     53.7426200              0.1771500
     27.8631800              0.2890860
     14.7438200              0.3291570
      7.8933510              0.2104230
      4.1794970              0.0551740
      2.1656690              0.0015110
      1.0972400             -0.0021830
      0.5360850             -0.0012180
      0.2024530             -0.0000850
      0.0816950             -0.0000020
Fe    P
  38282.0500000             -0.0000180
   9061.5560000             -0.0000680
   2944.4500000             -0.0002850
   1128.1580000             -0.0010820
    480.3380000             -0.0037730
    220.1368000             -0.0116110
    106.5482000             -0.0309030
     53.7426200             -0.0678610
     27.8631800             -0.1153490
     14.7438200             -0.1389140
      7.8933510             -0.0466250
      4.1794970              0.1946700
      2.1656690              0.4040100
      1.0972400              0.3786780
      0.5360850              0.1665960
      0.2024530              0.0175340
      0.0816950             -0.0013550
Fe    P
  38282.0500000              0.0000040
   9061.5560000              0.0000150
   2944.4500000              0.0000620
   1128.1580000              0.0002350
    480.3380000              0.0008270
    220.1368000              0.0025220
    106.5482000              0.0067960
     53.7426200              0.0147820
     27.8631800              0.0256530
     14.7438200              0.0303130
      7.8933510              0.0102010
      4.1794970             -0.0531930
      2.1656690             -0.1036780
      1.0972400             -0.1209980
      0.5360850              0.0031080
      0.2024530              0.3283150
      0.0816950              0.5422430
Fe    P
  38282.0500000              0.0000060
   9061.5560000              0.0000230
   2944.4500000              0.0000960
   1128.1580000              0.0003580
    480.3380000              0.0012700
    220.1368000              0.0038420
    106.5482000              0.0104410
     53.7426200              0.0224790
     27.8631800              0.0395990
     14.7438200              0.0459830
      7.8933510              0.0175790
      4.1794970             -0.0850280
      2.1656690             -0.1609090
      1.0972400             -0.1945280
      0.5360850              0.0582050
      0.2024530              0.6259810
      0.0816950              0.4271460
Fe    P
  38282.0500000              0.0000130
   9061.5560000              0.0000460
   2944.4500000              0.0002060
   1128.1580000              0.0007160
    480.3380000              0.0027590
    220.1368000              0.0076430
    106.5482000              0.0228730
     53.7426200              0.0440810
     27.8631800              0.0899840
     14.7438200              0.0853400
      7.8933510              0.0772780
      4.1794970             -0.2972450
      2.1656690             -0.4067180
      1.0972400             -0.3121550
      0.5360850              1.2052550
      0.2024530              0.1894990
      0.0816950             -0.8424540
Fe    P
  38282.0500000             -0.0000160
   9061.5560000             -0.0000650
   2944.4500000             -0.0002560
   1128.1580000             -0.0010400
    480.3380000             -0.0033700
    220.1368000             -0.0112410
    106.5482000             -0.0275820
     53.7426200             -0.0670210
     27.8631800             -0.1006940
     14.7438200             -0.1703110
      7.8933510             -0.0783230
      4.1794970              0.6077450
      2.1656690              0.9645760
      1.0972400             -1.7927730
      0.5360850             -0.0262890
      0.2024530              1.5460990
      0.0816950             -1.0949690
Fe    P
      0.0326140              1.0000000
Fe    D
    350.9950000              0.0003590
    103.6670000              0.0031850
     39.7043000              0.0161760
     17.0310000              0.0545530
      7.7890200              0.1367300
      3.6995500              0.2420240
      1.7553200              0.3084870
      0.8128450              0.3004030
      0.3614410              0.2164630
      0.1513460              0.0943300
Fe    D
    350.9950000             -0.0003950
    103.6670000             -0.0035300
     39.7043000             -0.0179410
     17.0310000             -0.0614610
      7.7890200             -0.1583160
      3.6995500             -0.2693400
      1.7553200             -0.2412260
      0.8128450              0.0585700
      0.3614410              0.4116150
      0.1513460              0.4361600
Fe    D
    350.9950000             -0.0005700
    103.6670000             -0.0051170
     39.7043000             -0.0262340
     17.0310000             -0.0920690
      7.7890200             -0.2464400
      3.6995500             -0.3502150
      1.7553200              0.0307360
      0.8128450              0.6477360
      0.3614410              0.2400240
      0.1513460             -0.6048030
Fe    D
    350.9950000             -0.0008190
    103.6670000             -0.0070130
     39.7043000             -0.0378470
     17.0310000             -0.1314140
      7.7890200             -0.4094000
      3.6995500             -0.2893670
      1.7553200              0.9175770
      0.8128450              0.2020840
      0.3614410             -1.0761670
      0.1513460              0.4017690
Fe    D
      0.0575130              1.0000000
Fe    F
      5.1588000              1.0000000
Fe    F
      1.5344000              1.0000000
Fe    F
      0.4564000              1.0000000
Fe    G
      3.7476000              1.0000000
Fe    G
      1.0505000              1.0000000
Fe    H
      2.3448000              1.0000000
end
basis "Co_cc-pvqz-dk" 
#basis SET: (148s,103p,41d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
Co    S
      0.1437022E+08          0.0000630
2151540.0000000              0.0001780
 489625.7000000              0.0004680
 138690.3000000              0.0011300
  45249.8900000              0.0026830
  16337.6200000              0.0063740
   6373.0730000              0.0153380
   2643.9580000              0.0366560
   1153.6140000              0.0831830
    524.8606000              0.1668550
    247.3069000              0.2672920
    119.9063000              0.2833740
     58.9642900              0.1517480
     27.1361600              0.0652490
     13.6891200              0.1004050
      6.8827710              0.0672310
      3.1446470              0.0081260
      1.5062660             -0.0002610
      0.6872680             -0.0000390
      0.1609720             -0.0000080
      0.0730170              0.0000140
Co    S
      0.1437022E+08         -0.0000330
2151540.0000000             -0.0000940
 489625.7000000             -0.0002460
 138690.3000000             -0.0005960
  45249.8900000             -0.0014180
  16337.6200000             -0.0033820
   6373.0730000             -0.0081850
   2643.9580000             -0.0198490
   1153.6140000             -0.0461910
    524.8606000             -0.0982720
    247.3069000             -0.1763040
    119.9063000             -0.2377920
     58.9642900             -0.1523860
     27.1361600              0.2036220
     13.6891200              0.5501680
      6.8827710              0.3578070
      3.1446470              0.0457660
      1.5062660             -0.0038900
      0.6872680             -0.0004840
      0.1609720             -0.0002010
      0.0730170              0.0001790
Co    S
      0.1437022E+08          0.0000080
2151540.0000000              0.0000220
 489625.7000000              0.0000570
 138690.3000000              0.0001390
  45249.8900000              0.0003300
  16337.6200000              0.0007910
   6373.0730000              0.0019200
   2643.9580000              0.0047140
   1153.6140000              0.0111330
    524.8606000              0.0246990
    247.3069000              0.0472060
    119.9063000              0.0722950
     58.9642900              0.0503830
     27.1361600             -0.1023930
     13.6891200             -0.3802180
      6.8827710             -0.3454400
      3.1446470              0.3024920
      1.5062660              0.6860590
      0.6872680              0.3089540
      0.1609720              0.0132060
      0.0730170             -0.0031170
Co    S
      0.1437022E+08         -0.0000020
2151540.0000000             -0.0000050
 489625.7000000             -0.0000120
 138690.3000000             -0.0000300
  45249.8900000             -0.0000700
  16337.6200000             -0.0001690
   6373.0730000             -0.0004100
   2643.9580000             -0.0010070
   1153.6140000             -0.0023760
    524.8606000             -0.0052860
    247.3069000             -0.0100900
    119.9063000             -0.0155790
     58.9642900             -0.0107950
     27.1361600              0.0222270
     13.6891200              0.0876570
      6.8827710              0.0809210
      3.1446470             -0.0827610
      1.5062660             -0.2246610
      0.6872680             -0.2015800
      0.1609720              0.3017660
      0.0730170              0.5810930
Co    S
      0.1437022E+08         -0.0000030
2151540.0000000             -0.0000090
 489625.7000000             -0.0000240
 138690.3000000             -0.0000590
  45249.8900000             -0.0001380
  16337.6200000             -0.0003430
   6373.0730000             -0.0007880
   2643.9580000             -0.0020850
   1153.6140000             -0.0044670
    524.8606000             -0.0112370
    247.3069000             -0.0181850
    119.9063000             -0.0356690
     58.9642900             -0.0119320
     27.1361600              0.0212370
     13.6891200              0.2348300
      6.8827710              0.0848480
      3.1446470             -0.0615640
      1.5062660             -0.9633490
      0.6872680              0.4435460
      0.1609720              1.5994950
      0.0730170             -0.7695260
Co    S
      0.1437022E+08         -0.0000060
2151540.0000000             -0.0000160
 489625.7000000             -0.0000420
 138690.3000000             -0.0001020
  45249.8900000             -0.0002390
  16337.6200000             -0.0005910
   6373.0730000             -0.0013670
   2643.9580000             -0.0035830
   1153.6140000             -0.0077820
    524.8606000             -0.0192710
    247.3069000             -0.0320140
    119.9063000             -0.0609120
     58.9642900             -0.0236150
     27.1361600              0.0437420
     13.6891200              0.4195750
      6.8827710              0.2454930
      3.1446470             -0.5913480
      1.5062660             -1.7723080
      0.6872680              2.6790200
      0.1609720             -0.7274990
      0.0730170             -1.2747080
Co    S
      0.1437022E+08         -0.0000060
2151540.0000000             -0.0000180
 489625.7000000             -0.0000470
 138690.3000000             -0.0001110
  45249.8900000             -0.0002800
  16337.6200000             -0.0006050
   6373.0730000             -0.0017140
   2643.9580000             -0.0033760
   1153.6140000             -0.0105710
    524.8606000             -0.0161940
    247.3069000             -0.0500370
    119.9063000             -0.0349470
     58.9642900             -0.0993410
     27.1361600              0.2194560
     13.6891200              0.1784260
      6.8827710              1.0401950
      3.1446470             -3.3014820
      1.5062660              2.3454950
      0.6872680              0.5436570
      0.1609720             -3.5761260
      0.0730170              4.9421090
Co    S
      0.0320710              1.0000000
Co    P
  41961.4000000              0.0000530
   9928.3060000              0.0001980
   3224.9710000              0.0008160
   1235.2930000              0.0030540
    525.8469000              0.0105440
    240.9762000              0.0319630
    116.6418000              0.0832750
     58.8483400              0.1768010
     30.5291000              0.2892520
     16.1694300              0.3294090
      8.6642360              0.2103030
      4.5919430              0.0551480
      2.3810480              0.0015780
      1.2062460             -0.0021450
      0.5888220             -0.0011880
      0.2248930             -0.0000800
      0.0904480             -0.0000030
Co    P
  41961.4000000             -0.0000190
   9928.3060000             -0.0000710
   3224.9710000             -0.0002910
   1235.2930000             -0.0010940
    525.8469000             -0.0037960
    240.9762000             -0.0116670
    116.6418000             -0.0310950
     58.8483400             -0.0684730
     30.5291000             -0.1168130
     16.1694300             -0.1403400
      8.6642360             -0.0455310
      4.5919430              0.1979890
      2.3810480              0.4052460
      1.2062460              0.3766180
      0.5888220              0.1642500
      0.2248930              0.0173260
      0.0904480             -0.0011590
Co    P
  41961.4000000              0.0000040
   9928.3060000              0.0000160
   3224.9710000              0.0000640
   1235.2930000              0.0002400
    525.8469000              0.0008410
    240.9762000              0.0025640
    116.6418000              0.0069140
     58.8483400              0.0150970
     30.5291000              0.0262560
     16.1694300              0.0310480
      8.6642360              0.0100640
      4.5919430             -0.0546020
      2.3810480             -0.1063460
      1.2062460             -0.1210550
      0.5888220              0.0063130
      0.2248930              0.3283220
      0.0904480              0.5404380
Co    P
  41961.4000000              0.0000070
   9928.3060000              0.0000250
   3224.9710000              0.0001030
   1235.2930000              0.0003800
    525.8469000              0.0013410
    240.9762000              0.0040530
    116.6418000              0.0110330
     58.8483400              0.0238220
     30.5291000              0.0421320
     16.1694300              0.0489260
      8.6642360              0.0182370
      4.5919430             -0.0927790
      2.3810480             -0.1742910
      1.2062460             -0.1949580
      0.5888220              0.0866440
      0.2248930              0.6196070
      0.0904480              0.4155170
Co    P
  41961.4000000              0.0000140
   9928.3060000              0.0000490
   3224.9710000              0.0002170
   1235.2930000              0.0007530
    525.8469000              0.0028520
    240.9762000              0.0080000
    116.6418000              0.0236410
     58.8483400              0.0464590
     30.5291000              0.0930840
     16.1694300              0.0921130
      8.6642360              0.0774220
      4.5919430             -0.3214270
      2.3810480             -0.4386490
      1.2062460             -0.2191060
      0.5888220              1.1794450
      0.2248930              0.1324390
      0.0904480             -0.8109210
Co    P
  41961.4000000              0.0000180
   9928.3060000              0.0000680
   3224.9710000              0.0002720
   1235.2930000              0.0010650
    525.8469000              0.0035430
    240.9762000              0.0114310
    116.6418000              0.0291160
     58.8483400              0.0681050
     30.5291000              0.1082440
     16.1694300              0.1709700
      8.6642360              0.1038320
      4.5919430             -0.7477390
      2.3810480             -0.8092780
      1.2062460              1.8373640
      0.5888220             -0.1406610
      0.2248930             -1.4398920
      0.0904480              1.0498300
Co    P
      0.0358200              1.0000000
Co    D
    371.5660000              0.0003980
    110.1150000              0.0034810
     42.4255000              0.0173620
     18.3369000              0.0576820
      8.4573000              0.1418110
      4.0417900              0.2456560
      1.9260300              0.3075020
      0.8942810              0.2955950
      0.3979880              0.2121670
      0.1665000              0.0928960
Co    D
    371.5660000             -0.0004600
    110.1150000             -0.0040610
     42.4255000             -0.0202580
     18.3369000             -0.0685820
      8.4573000             -0.1734630
      4.0417900             -0.2858720
      1.9260300             -0.2288420
      0.8942810              0.1000240
      0.3979880              0.4213280
      0.1665000              0.4054680
Co    D
    371.5660000             -0.0006110
    110.1150000             -0.0054160
     42.4255000             -0.0272350
     18.3369000             -0.0942080
      8.4573000             -0.2495960
      4.0417900             -0.3440740
      1.9260300              0.0830320
      0.8942810              0.6510980
      0.3979880              0.1778030
      0.1665000             -0.6155820
Co    D
    371.5660000             -0.0009190
    110.1150000             -0.0075970
     42.4255000             -0.0410110
     18.3369000             -0.1379990
      8.4573000             -0.4392740
      4.0417900             -0.2345360
      1.9260300              0.9736790
      0.8942810              0.0750400
      0.3979880             -1.0306680
      0.1665000              0.4434900
Co    D
      0.0630250              1.0000000
Co    F
      5.9410000              1.0000000
Co    F
      1.7850000              1.0000000
Co    F
      0.5363000              1.0000000
Co    G
      4.3870000              1.0000000
Co    G
      1.2510000              1.0000000
Co    H
      2.7485000              1.0000000
end
basis "Ni_cc-pvqz-dk" 
#basis SET: (146s,103p,41d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
Ni    S
15503020.0000000            -0.0000310
2321071.0000000             -0.0000870
 528180.2000000             -0.0002280
 149604.0000000             -0.0005490
  48809.0700000             -0.0012970
  17622.3900000             -0.0030720
   6874.2010000             -0.0073790
   2851.8570000             -0.0178050
   1244.3340000             -0.0413840
    566.1547000             -0.0884770
    266.7873000             -0.1605330
    129.3752000             -0.2211450
     63.6516100             -0.1429300
     29.3330200              0.2105090
     14.8221200              0.5571780
      7.4605130              0.3587470
      3.4135760              0.0448050
      1.6328840             -0.0047710
      0.7435790             -0.0009710
      0.1725920             -0.0002250
      0.0774200              0.0001450
Ni    S
15503020.0000000             0.0000080
2321071.0000000              0.0000230
 528180.2000000              0.0000600
 149604.0000000              0.0001450
  48809.0700000              0.0003430
  17622.3900000              0.0008140
   6874.2010000              0.0019600
   2851.8570000              0.0047790
   1244.3340000              0.0112410
    566.1547000              0.0248800
    266.7873000              0.0475220
    129.3752000              0.0727080
     63.6516100              0.0504870
     29.3330200             -0.1049100
     14.8221200             -0.3841580
      7.4605130             -0.3405100
      3.4135760              0.3128690
      1.6328840              0.6787890
      0.7435790              0.3074190
      0.1725920              0.0146650
      0.0774200             -0.0039540
Ni    S
15503020.0000000            -0.0000020
2321071.0000000             -0.0000050
 528180.2000000             -0.0000130
 149604.0000000             -0.0000310
  48809.0700000             -0.0000730
  17622.3900000             -0.0001730
   6874.2010000             -0.0004150
   2851.8570000             -0.0010130
   1244.3340000             -0.0023810
    566.1547000             -0.0052860
    266.7873000             -0.0100820
    129.3752000             -0.0155550
     63.6516100             -0.0107280
     29.3330200              0.0225870
     14.8221200              0.0878230
      7.4605130              0.0787500
      3.4135760             -0.0841310
      1.6328840             -0.2212350
      0.7435790             -0.1943700
      0.1725920              0.2958150
      0.0774200              0.5768850
Ni    S
15503020.0000000            -0.0000040
2321071.0000000             -0.0000100
 528180.2000000             -0.0000260
 149604.0000000             -0.0000630
  48809.0700000             -0.0001460
  17622.3900000             -0.0003590
   6874.2010000             -0.0008240
   2851.8570000             -0.0021470
   1244.3340000             -0.0046300
    566.1547000             -0.0114660
    266.7873000             -0.0188850
    129.3752000             -0.0360910
     63.6516100             -0.0131930
     29.3330200              0.0249350
     14.8221200              0.2351510
      7.4605130              0.0995590
      3.4135760             -0.0991250
      1.6328840             -0.9520230
      0.7435790              0.4790000
      0.1725920              1.4997280
      0.0774200             -0.6533590
Ni    S
15503020.0000000            -0.0000060
2321071.0000000             -0.0000170
 528180.2000000             -0.0000450
 149604.0000000             -0.0001080
  48809.0700000             -0.0002530
  17622.3900000             -0.0006140
   6874.2010000             -0.0014330
   2851.8570000             -0.0036470
   1244.3340000             -0.0081260
    566.1547000             -0.0193360
    266.7873000             -0.0337780
    129.3752000             -0.0597330
     63.6516100             -0.0291950
     29.3330200              0.0576720
     14.8221200              0.3962980
      7.4605130              0.3262820
      3.4135760             -0.7659990
      1.6328840             -1.5951110
      0.7435790              2.6051560
      0.1725920             -0.7647690
      0.0774200             -1.1749130
Ni    S
15503020.0000000            -0.0000070
2321071.0000000             -0.0000190
 528180.2000000             -0.0000500
 149604.0000000             -0.0001170
  48809.0700000             -0.0002940
  17622.3900000             -0.0006290
   6874.2010000             -0.0017690
   2851.8570000             -0.0034530
   1244.3340000             -0.0108110
    566.1547000             -0.0163970
    266.7873000             -0.0511320
    129.3752000             -0.0347730
     63.6516100             -0.1020090
     29.3330200              0.2248130
     14.8221200              0.1666290
      7.4605130              1.1504080
      3.4135760             -3.6677600
      1.6328840              2.9089060
      0.7435790              0.1233070
      0.1725920             -3.2568870
      0.0774200              4.6303440
Ni    S
15503020.0000000             0.0000680
2321071.0000000              0.0001920
 528180.2000000              0.0005030
 149604.0000000              0.0012080
  48809.0700000              0.0028490
  17622.3900000              0.0067150
   6874.2010000              0.0160260
   2851.8570000              0.0380450
   1244.3340000              0.0860160
    566.1547000              0.1724730
    266.7873000              0.2771470
    129.3752000              0.2968780
     63.6516100              0.1607220
     29.3330200              0.0532090
     14.8221200              0.0670780
      7.4605130              0.0451040
      3.4135760              0.0051630
      1.6328840             -0.0001680
      0.7435790             -0.0000810
Ni    S
      0.0337010              1.0000000
Ni    P
  45066.6200000              0.0000570
  10662.6400000              0.0002080
   3463.4310000              0.0008460
   1326.6240000              0.0031340
    564.7414000              0.0107650
    258.8288000              0.0325410
    125.3115000              0.0846200
     63.2423300              0.1792530
     32.8240600              0.2920770
     17.3969200              0.3290800
      9.3243940              0.2060500
      4.9388390              0.0521800
      2.5620250              0.0007930
      1.2992940             -0.0024970
      0.6346780             -0.0013400
      0.2325994             -0.0000960
      0.0915230              0.0000050
Ni    P
  45066.6200000             -0.0000200
  10662.6400000             -0.0000740
   3463.4310000             -0.0003020
   1326.6240000             -0.0011260
    564.7414000             -0.0038860
    258.8288000             -0.0119180
    125.3115000             -0.0317080
     63.2423300             -0.0697490
     32.8240600             -0.1185830
     17.3969200             -0.1405920
      9.3243940             -0.0391820
      4.9388390              0.2070370
      2.5620250              0.4068660
      1.2992940              0.3672130
      0.6346780              0.1625320
      0.2325994              0.0179490
      0.0915230             -0.0016100
Ni    P
  45066.6200000              0.0000040
  10662.6400000              0.0000150
   3463.4310000              0.0000620
   1326.6240000              0.0002270
    564.7414000              0.0007940
    258.8288000              0.0024100
    125.3115000              0.0065010
     63.2423300              0.0141420
     32.8240600              0.0246010
     17.3969200              0.0284870
      9.3243940              0.0079730
      4.9388390             -0.0524750
      2.5620250             -0.0961500
      1.2992940             -0.1098910
      0.6346780              0.0052770
      0.2325994              0.3160560
      0.0915230              0.5414170
Ni    P
  45066.6200000              0.0000090
  10662.6400000              0.0000310
   3463.4310000              0.0001290
   1326.6240000              0.0004670
    564.7414000              0.0016690
    258.8288000              0.0049420
    125.3115000              0.0137030
     63.2423300              0.0288820
     32.8240600              0.0525090
     17.3969200              0.0575250
      9.3243940              0.0233410
      4.9388390             -0.1314790
      2.5620250             -0.2125180
      1.2992940             -0.2149510
      0.6346780              0.2264290
      0.2325994              0.6390330
      0.0915230              0.3129740
Ni    P
  45066.6200000              0.0000150
  10662.6400000              0.0000540
   3463.4310000              0.0002330
   1326.6240000              0.0008060
    564.7414000              0.0030230
    258.8288000              0.0085050
    125.3115000              0.0249740
     63.2423300              0.0493100
     32.8240600              0.0977120
     17.3969200              0.0978230
      9.3243940              0.0747930
      4.9388390             -0.3728930
      2.5620250             -0.4521070
      1.2992940             -0.0831810
      0.6346780              1.1810810
      0.2325994             -0.0996300
      0.0915230             -0.7437020
Ni    P
  45066.6200000              0.0000210
  10662.6400000              0.0000770
   3463.4310000              0.0003040
   1326.6240000              0.0011710
    564.7414000              0.0039020
    258.8288000              0.0124890
    125.3115000              0.0320120
     63.2423300              0.0742030
     32.8240600              0.1186720
     17.3969200              0.1888440
      9.3243940              0.1042450
      4.9388390             -0.9857230
      2.5620250             -0.5224120
      1.2992940              2.0084850
      0.6346780             -0.6516730
      0.2325994             -1.0910670
      0.0915230              1.0098080
Ni    P
      0.0355740              1.0000000
Ni    D
    432.2741887              0.0003510
    127.4570298              0.0031160
     48.83096424             0.0160110
     21.01674656             0.0546140
      9.65710264             0.1364950
      4.60305286             0.2389110
      2.18924426             0.3000020
      1.01439313             0.2906960
      0.45035253             0.2209770
      0.18765306             0.1203230
Ni    D
    432.2741887             -0.0003600
    127.4570298             -0.0032190
     48.83096424            -0.0165480
     21.01674656            -0.0572710
      9.65710264            -0.1468730
      4.60305286            -0.2479010
      2.18924426            -0.2234890
      1.01439313             0.0132390
      0.45035253             0.3104770
      0.18765306             0.4522510
Ni    D
    432.2741887              0.0005070
    127.4570298              0.0045770
     48.83096424             0.0235490
     21.01674656             0.0831870
      9.65710264             0.2210890
      4.60305286             0.3398130
      2.18924426             0.0390780
      1.01439313            -0.5221520
      0.45035253            -0.3950570
      0.18765306             0.3656590
Ni    D
    432.2741887             -0.0007300
    127.4570298             -0.0062770
     48.83096424            -0.0340630
     21.01674656            -0.1184390
      9.65710264            -0.3663900
      4.60305286            -0.3205530
      2.18924426             0.6939770
      1.01439313             0.4623840
      0.45035253            -0.8214790
      0.18765306            -0.1860170
Ni    D
      0.07047793             1.0000000
Ni    F
      6.8303000              1.0000000
Ni    F
      2.0748000              1.0000000
Ni    F
      0.6302000              1.0000000
Ni    G
      5.3315000              1.0000000
Ni    G
      1.5215000              1.0000000
Ni    H
      3.1948000              1.0000000
end
basis "Cu_cc-pvqz-dk" 
#basis SET: (148s,102p,41d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
Cu    S
16665490.0000000             0.0000690
2495213.0000000              0.0001920
 567850.7000000              0.0005020
 160853.1000000              0.0012000
  52481.8600000              0.0028120
  18948.8500000              0.0065760
   7391.6550000              0.0155630
   3066.5170000              0.0366600
   1337.9940000              0.0824010
    608.7830000              0.1643320
    286.8980000              0.2621450
    139.1530000              0.2764660
     68.4945500              0.1478900
     31.6010800              0.0715990
     15.9915800              0.1144220
      8.0565100              0.0747330
      3.6903290              0.0089010
      1.7629020             -0.0003240
      0.8012690             -0.0000580
      0.1842430             -0.0000130
      0.0817930              0.0000070
Cu    S
16665490.0000000            -0.0000390
2495213.0000000             -0.0001080
 567850.7000000             -0.0002830
 160853.1000000             -0.0006760
  52481.8600000             -0.0015880
  18948.8500000             -0.0037300
   7391.6550000             -0.0088800
   3066.5170000             -0.0212230
   1337.9940000             -0.0488990
    608.7830000             -0.1033220
    286.8980000             -0.1841780
    139.1530000             -0.2462790
     68.4945500             -0.1557580
     31.6010800              0.2083890
     15.9915800              0.5500740
      8.0565100              0.3499800
      3.6903290              0.0438090
      1.7629020             -0.0036690
      0.8012690             -0.0005070
      0.1842430             -0.0001860
      0.0817930              0.0001150
Cu    S
16665490.0000000             0.0000090
2495213.0000000              0.0000240
 567850.7000000              0.0000640
 160853.1000000              0.0001530
  52481.8600000              0.0003590
  18948.8500000              0.0008470
   7391.6550000              0.0020240
   3066.5170000              0.0049000
   1337.9940000              0.0114730
    608.7830000              0.0253410
    286.8980000              0.0483250
    139.1530000              0.0738920
     68.4945500              0.0509150
     31.6010800             -0.1083140
     15.9915800             -0.3914490
      8.0565100             -0.3369910
      3.6903290              0.3223440
      1.7629020              0.6829570
      0.8012690              0.2970280
      0.1842430              0.0119740
      0.0817930             -0.0026920
Cu    S
16665490.0000000            -0.0000020
2495213.0000000             -0.0000050
 567850.7000000             -0.0000130
 160853.1000000             -0.0000310
  52481.8600000             -0.0000730
  18948.8500000             -0.0001730
   7391.6550000             -0.0004130
   3066.5170000             -0.0010020
   1337.9940000             -0.0023440
    608.7830000             -0.0051920
    286.8980000             -0.0098910
    139.1530000             -0.0152450
     68.4945500             -0.0104490
     31.6010800              0.0225660
     15.9915800              0.0864480
      8.0565100              0.0753310
      3.6903290             -0.0842130
      1.7629020             -0.2151650
      0.8012690             -0.1866230
      0.1842430              0.2899280
      0.0817930              0.5722780
Cu    S
16665490.0000000            -0.0000030
2495213.0000000             -0.0000090
 567850.7000000             -0.0000240
 160853.1000000             -0.0000590
  52481.8600000             -0.0001370
  18948.8500000             -0.0003320
   7391.6550000             -0.0007580
   3066.5170000             -0.0019560
   1337.9940000             -0.0042140
    608.7830000             -0.0103720
    286.8980000             -0.0171440
    139.1530000             -0.0325260
     68.4945500             -0.0120170
     31.6010800              0.0239630
     15.9915800              0.2119610
      8.0565100              0.0842800
      3.6903290             -0.0894720
      1.7629020             -0.8091960
      0.8012690              0.3242170
      0.1842430              1.4472890
      0.0817930             -0.4431320
Cu    S
16665490.0000000            -0.0000070
2495213.0000000             -0.0000190
 567850.7000000             -0.0000490
 160853.1000000             -0.0001170
  52481.8600000             -0.0002720
  18948.8500000             -0.0006580
   7391.6550000             -0.0015150
   3066.5170000             -0.0038590
   1337.9940000             -0.0084690
    608.7830000             -0.0203920
    286.8980000             -0.0348960
    139.1530000             -0.0634080
     68.4945500             -0.0280780
     31.6010800              0.0570580
     15.9915800              0.4302750
      8.0565100              0.2973020
      3.6903290             -0.7723650
      1.7629020             -1.5798620
      0.8012690              2.5350850
      0.1842430             -0.5516530
      0.0817930             -1.3122570
Cu    S
16665490.0000000            -0.0000070
2495213.0000000             -0.0000200
 567850.7000000             -0.0000520
 160853.1000000             -0.0001210
  52481.8600000             -0.0003000
  18948.8500000             -0.0006410
   7391.6550000             -0.0017830
   3066.5170000             -0.0034630
   1337.9940000             -0.0107780
    608.7830000             -0.0163220
    286.8980000             -0.0508210
    139.1530000             -0.0344510
     68.4945500             -0.1011720
     31.6010800              0.2246670
     15.9915800              0.1699430
      8.0565100              1.1132610
      3.6903290             -3.5632140
      1.7629020              2.7675090
      0.8012690              0.2188800
      0.1842430             -3.2660310
      0.0817930              4.5609720
Cu    S
      0.0353030              1.0000000
Cu    P
  48218.4100000             -0.0000220
  11420.5500000             -0.0000790
   3713.5690000             -0.0003170
   1423.7620000             -0.0011670
    606.6041000             -0.0040020
    278.2564000             -0.0122280
    134.8449000             -0.0324630
     68.1225400             -0.0712940
     35.4008800             -0.1210220
     18.7902900             -0.1421450
     10.0835600             -0.0363680
      5.3461200              0.2125470
      2.7752280              0.4098670
      1.4075640              0.3653240
      0.6872130              0.1559160
      0.2473970              0.0154970
      0.0961870             -0.0015450
Cu    P
  48218.4100000              0.0000040
  11420.5500000              0.0000150
   3713.5690000              0.0000620
   1423.7620000              0.0002260
    606.6041000              0.0007840
    278.2564000              0.0023700
    134.8449000              0.0063880
     68.1225400              0.0138590
     35.4008800              0.0241140
     18.7902900              0.0275710
     10.0835600              0.0070970
      5.3461200             -0.0519240
      2.7752280             -0.0926040
      1.4075640             -0.1055640
      0.6872130              0.0063780
      0.2473970              0.3117760
      0.0961870              0.5407510
Cu    P
  48218.4100000              0.0000090
  11420.5500000              0.0000300
   3713.5690000              0.0001240
   1423.7620000              0.0004430
    606.6041000              0.0015740
    278.2564000              0.0046340
    134.8449000              0.0128440
     68.1225400              0.0269700
     35.4008800              0.0491200
     18.7902900              0.0529930
     10.0835600              0.0206170
      5.3461200             -0.1226650
      2.7752280             -0.1911910
      1.4075640             -0.2074430
      0.6872130              0.1926460
      0.2473970              0.6490010
      0.0961870              0.3287320
Cu    P
  48218.4100000              0.0000170
  11420.5500000              0.0000580
   3713.5690000              0.0002460
   1423.7620000              0.0008420
    606.6041000              0.0031310
    278.2564000              0.0087870
    134.8449000              0.0257090
     68.1225400              0.0507520
     35.4008800              0.1002550
     18.7902900              0.1005250
     10.0835600              0.0733500
      5.3461200             -0.3887260
      2.7752280             -0.4495470
      1.4075640             -0.0766170
      0.6872130              1.1820700
      0.2473970             -0.0996590
      0.0961870             -0.7171210
Cu    P
  48218.4100000              0.0000210
  11420.5500000              0.0000800
   3713.5690000              0.0002990
   1423.7620000              0.0011990
    606.6041000              0.0037440
    278.2564000              0.0127080
    134.8449000              0.0303320
     68.1225400              0.0759830
     35.4008800              0.1085020
     18.7902900              0.2051540
     10.0835600              0.0570150
      5.3461200             -0.9117820
      2.7752280             -0.5409620
      1.4075640              1.9497620
      0.6872130             -0.5880390
      0.2473970             -1.1302240
      0.0961870              1.0441460
Cu    P
  48218.4100000              0.0000610
  11420.5500000              0.0002180
   3713.5690000              0.0008730
   1423.7620000              0.0031990
    606.6041000              0.0109150
    278.2564000              0.0328650
    134.8449000              0.0852580
     68.1225400              0.1802690
     35.4008800              0.2930290
     18.7902900              0.3282030
     10.0835600              0.2037720
      5.3461200              0.0514610
      2.7752280              0.0013730
      1.4075640             -0.0018930
      0.6872130             -0.0010340
      0.2473970             -0.0000600
Cu    P
      0.0369480              1.0000000
Cu    D
    556.3170000              0.0002610
    163.6920000              0.0023440
     62.7973000              0.0124860
     27.2478000              0.0442820
     12.6298000              0.1159340
      6.1034100              0.2174500
      2.9654480              0.2914210
      1.4126530              0.2983570
      0.6498450              0.2379860
      0.2837010              0.1332530
Cu    D
    556.3170000             -0.0003240
    163.6920000             -0.0029180
     62.7973000             -0.0155940
     27.2478000             -0.0559610
     12.6298000             -0.1518160
      6.1034100             -0.2797870
      2.9654480             -0.2715330
      1.4126530              0.0180900
      0.6498450              0.3562040
      0.2837010              0.4201600
Cu    D
    556.3170000              0.0003890
    163.6920000              0.0035340
     62.7973000              0.0189360
     27.2478000              0.0689280
     12.6298000              0.1972720
      6.1034100              0.3487360
      2.9654480              0.0597030
      1.4126530             -0.5596990
      0.6498450             -0.3880260
      0.2837010              0.4383270
Cu    D
    556.3170000             -0.0006030
    163.6920000             -0.0050540
     62.7973000             -0.0293200
     27.2478000             -0.1016320
     12.6298000             -0.3526730
      6.1034100             -0.4213890
      2.9654480              0.7343300
      1.4126530              0.5564940
      0.6498450             -0.9765450
      0.2837010             -0.0899130
Cu    D
      0.1133290              1.0000000
Cu    F
      7.6837000              1.0000000
Cu    F
      2.3657000              1.0000000
Cu    F
      0.7284000              1.0000000
Cu    G
      5.9423000              1.0000000
Cu    G
      1.7494000              1.0000000
Cu    H
      3.7293000              1.0000000
end
basis "Zn_cc-pvqz-dk" 
#basis SET: (148s,103p,41d,3f,2g,1h) -> [8s,7p,5d,3f,2g,1h]
Zn    S
      0.1785293E+08          0.0000790
2673038.0000000              0.0002200
 608324.4000000              0.0005730
 172317.6000000              0.0013640
  56222.6900000              0.0031790
  20299.8500000              0.0073820
   7918.8710000              0.0173430
   3285.3400000              0.0406290
   1433.5240000              0.0911280
    652.2889000              0.1824150
    307.4360000              0.2944610
    149.1466000              0.3208580
     73.4510800              0.1763940
     33.9256200              0.0269500
     17.1894700             -0.0014620
      8.6665950              0.0009880
      3.9725050             -0.0004540
      1.8946650              0.0001670
      0.8593850             -0.0000670
      0.1952560              0.0000210
      0.0858540             -0.0000150
Zn    S
      0.1785293E+08         -0.0000250
2673038.0000000             -0.0000690
 608324.4000000             -0.0001810
 172317.6000000             -0.0004320
  56222.6900000             -0.0010080
  20299.8500000             -0.0023580
   7918.8710000             -0.0055880
   3285.3400000             -0.0133770
   1433.5240000             -0.0311060
    652.2889000             -0.0675820
    307.4360000             -0.1266200
    149.1466000             -0.1842860
     73.4510800             -0.1210030
     33.9256200              0.2220190
     17.1894700              0.5609470
      8.6665950              0.3524860
      3.9725050              0.0454330
      1.8946650              0.0000520
      0.8593850              0.0010090
      0.1952560             -0.0001180
      0.0858540              0.0000890
Zn    S
      0.1785293E+08          0.0000090
2673038.0000000              0.0000260
 608324.4000000              0.0000690
 172317.6000000              0.0001640
  56222.6900000              0.0003820
  20299.8500000              0.0008950
   7918.8710000              0.0021220
   3285.3400000              0.0051030
   1433.5240000              0.0118880
    652.2889000              0.0261860
    307.4360000              0.0498050
    149.1466000              0.0759660
     73.4510800              0.0517660
     33.9256200             -0.1129780
     17.1894700             -0.4012980
      8.6665950             -0.3347370
      3.9725050              0.3331000
      1.8946650              0.6889720
      0.8593850              0.2848640
      0.1952560              0.0082440
      0.0858540             -0.0030930
Zn    S
      0.1785293E+08         -0.0000020
2673038.0000000             -0.0000050
 608324.4000000             -0.0000140
 172317.6000000             -0.0000330
  56222.6900000             -0.0000770
  20299.8500000             -0.0001820
   7918.8710000             -0.0004290
   3285.3400000             -0.0010360
   1433.5240000             -0.0024050
    652.2889000             -0.0053370
    307.4360000             -0.0100900
    149.1466000             -0.0156710
     73.4510800             -0.0104000
     33.9256200              0.0231260
     17.1894700              0.0899450
      8.6665950              0.0735120
      3.9725050             -0.0850030
      1.8946650             -0.2289690
      0.8593850             -0.1810930
      0.1952560              0.3479990
      0.0858540              0.5700400
Zn    S
      0.1785293E+08         -0.0000050
2673038.0000000             -0.0000150
 608324.4000000             -0.0000390
 172317.6000000             -0.0000930
  56222.6900000             -0.0002130
  20299.8500000             -0.0005170
   7918.8710000             -0.0011580
   3285.3400000             -0.0030170
   1433.5240000             -0.0063280
    652.2889000             -0.0159920
    307.4360000             -0.0253830
    149.1466000             -0.0508780
     73.4510800             -0.0147930
     33.9256200              0.0305570
     17.1894700              0.3475700
      8.6665950              0.1094030
      3.9725050             -0.2208400
      1.8946650             -1.3044110
      0.8593850              1.0663570
      0.1952560              1.4271740
      0.0858540             -1.2613610
Zn    S
      0.1785293E+08          0.0000070
2673038.0000000              0.0000210
 608324.4000000              0.0000540
 172317.6000000              0.0001270
  56222.6900000              0.0002990
  20299.8500000              0.0006950
   7918.8710000              0.0016700
   3285.3400000              0.0039400
   1433.5240000              0.0094460
    652.2889000              0.0201520
    307.4360000              0.0404710
    149.1466000              0.0582110
     73.4510800              0.0480920
     33.9256200             -0.1061780
     17.1894700             -0.3822290
      8.6665950             -0.5135870
      3.9725050              1.5357960
      1.8946650              0.6749030
      0.8593850             -2.5422360
      0.1952560              2.3368240
      0.0858540             -0.9072220
Zn    S
      0.1785293E+08         -0.0000100
2673038.0000000             -0.0000280
 608324.4000000             -0.0000730
 172317.6000000             -0.0001710
  56222.6900000             -0.0004140
  20299.8500000             -0.0009140
   7918.8710000             -0.0023740
   3285.3400000             -0.0050120
   1433.5240000             -0.0139070
    652.2889000             -0.0245170
    307.4360000             -0.0633700
    149.1466000             -0.0618520
     73.4510800             -0.1068480
     33.9256200              0.2254310
     17.1894700              0.5674800
      8.6665950              1.0107520
      3.9725050             -5.5611700
      1.8946650              6.9915000
      0.8593850             -3.5424600
      0.1952560              0.0395280
      0.0858540              1.6266830
Zn    S
      0.0367810              1.0000000
Zn    P
  52867.9300000              0.0000630
  12511.7900000              0.0002210
   4065.2860000              0.0008710
   1557.5950000              0.0031550
    663.2892000              0.0107140
    304.1561000              0.0322280
    147.3680000              0.0837700
     74.4546900              0.1778440
     38.7149300              0.2905790
     20.5702200              0.3275000
     11.0542500              0.2059230
      5.8746610              0.0549140
      3.0529360              0.0049090
      1.5472250              0.0009730
      0.7541510              0.0001840
      0.2655530              0.0000500
      0.1019080             -0.0000120
Zn    P
  52867.9300000             -0.0000240
  12511.7900000             -0.0000830
   4065.2860000             -0.0003270
   1557.5950000             -0.0011910
    663.2892000             -0.0040650
    304.1561000             -0.0124020
    147.3680000             -0.0329760
     74.4546900             -0.0726830
     38.7149300             -0.1239840
     20.5702200             -0.1462900
     11.0542500             -0.0402280
      5.8746610              0.2098190
      3.0529360              0.4113650
      1.5472250              0.3688220
      0.7541510              0.1542010
      0.2655530              0.0141420
      0.1019080             -0.0015040
Zn    P
  52867.9300000              0.0000040
  12511.7900000              0.0000150
   4065.2860000              0.0000610
   1557.5950000              0.0002180
    663.2892000              0.0007550
    304.1561000              0.0022760
    147.3680000              0.0061530
     74.4546900              0.0133900
     38.7149300              0.0234670
     20.5702200              0.0268920
     11.0542500              0.0074420
      5.8746610             -0.0497760
      3.0529360             -0.0890630
      1.5472250             -0.1028810
      0.7541510              0.0042210
      0.2655530              0.3049800
      0.1019080              0.5410500
Zn    P
  52867.9300000              0.0000080
  12511.7900000              0.0000270
   4065.2860000              0.0001090
   1557.5950000              0.0003850
    663.2892000              0.0013540
    304.1561000              0.0040080
    147.3680000              0.0110550
     74.4546900              0.0234910
     38.7149300              0.0425770
     20.5702200              0.0468610
     11.0542500              0.0177220
      5.8746610             -0.1003030
      3.0529360             -0.1633930
      1.5472250             -0.1893930
      0.7541510              0.1172440
      0.2655530              0.6469500
      0.1019080              0.3799520
Zn    P
  52867.9300000              0.0000170
  12511.7900000              0.0000580
   4065.2860000              0.0002460
   1557.5950000              0.0008210
    663.2892000              0.0030900
    304.1561000              0.0085000
    147.3680000              0.0254170
     74.4546900              0.0492100
     38.7149300              0.1006690
     20.5702200              0.0965090
     11.0542500              0.0819270
      5.8746610             -0.3834010
      3.0529360             -0.4182030
      1.5472250             -0.1677070
      0.7541510              1.1948090
      0.2655530             -0.0019210
      0.1019080             -0.7337660
Zn    P
  52867.9300000             -0.0000220
  12511.7900000             -0.0000800
   4065.2860000             -0.0002860
   1557.5950000             -0.0011850
    663.2892000             -0.0034930
    304.1561000             -0.0125320
    147.3680000             -0.0281370
     74.4546900             -0.0760000
     38.7149300             -0.0985060
     20.5702200             -0.2143670
     11.0542500             -0.0265110
      5.8746610              0.7728880
      3.0529360              0.6874980
      1.5472250             -1.8748440
      0.7541510              0.3864500
      0.2655530              1.2436150
      0.1019080             -1.0725970
Zn    P
      0.0386230              1.0000000
Zn    D
    690.0847000              0.0002080
    202.3066000              0.0018800
     77.4459400              0.0103150
     33.6837800              0.0379340
     15.6699800              0.1028900
      7.6224700              0.2026810
      3.7499780              0.2845300
      1.8181510              0.3024300
      0.8555970              0.2489250
      0.3838420              0.1422960
Zn    D
    690.0847000             -0.0002900
    202.3066000             -0.0026300
     77.4459400             -0.0145340
     33.6837800             -0.0539330
     15.6699800             -0.1524270
      7.6224700             -0.3000970
      3.7499780             -0.3103010
      1.8181510              0.0218570
      0.8555970              0.3961220
      0.3838420              0.3968090
Zn    D
    690.0847000             -0.0003220
    202.3066000             -0.0029800
     77.4459400             -0.0163530
     33.6837800             -0.0616730
     15.6699800             -0.1858900
      7.6224700             -0.3750080
      3.7499780             -0.0401820
      1.8181510              0.6109590
      0.8555970              0.3386520
      0.3838420             -0.4891340
Zn    D
    690.0847000              0.0004570
    202.3066000              0.0037910
     77.4459400              0.0230360
     33.6837800              0.0812020
     15.6699800              0.2937930
      7.6224700              0.4477370
      3.7499780             -0.6033540
      1.8181510             -0.6904040
      0.8555970              0.9760680
      0.3838420              0.2286070
Zn    D
      0.1579520              1.0000000
Zn    F
      8.6408000              1.0000000
Zn    F
      2.6947000              1.0000000
Zn    F
      0.8403000              1.0000000
Zn    G
      6.8215000              1.0000000
Zn    G
      2.0378000              1.0000000
Zn    H
      4.3396000              1.0000000
end
basis "Ga_cc-pvqz-dk" 
#basis SET: (75s,42p,12d,2f,1g) -> [7s,6p,4d,2f,1g]
Ga    S
11274496.0000000             0.0001221
1688053.4000000              0.0003424
 384140.8300000              0.0009020
 108807.0300000              0.0021882
  35497.6910000              0.0052363
  12815.1040000              0.0125481
   4998.1087000              0.0302576
   2072.8848000              0.0711138
    903.7458200              0.1527992
    410.4430700              0.2724282
    192.6063600              0.3423241
     92.0496780              0.2281097
     42.0478110              0.0454772
     21.0692170             -0.0021551
     10.4479150              0.0016736
      4.7776580             -0.0007754
      2.2825660              0.0003295
      1.0353030             -0.0001316
Ga    S
11274496.0000000            -0.0000387
1688053.4000000             -0.0001086
 384140.8300000             -0.0002865
 108807.0300000             -0.0006966
  35497.6910000             -0.0016755
  12815.1040000             -0.0040452
   4998.1087000             -0.0099194
   2072.8848000             -0.0240086
    903.7458200             -0.0550941
    410.4430700             -0.1114520
    192.6063600             -0.1807762
     92.0496780             -0.1616077
     42.0478110              0.1324047
     21.0692170              0.5454004
     10.4479150              0.4289256
      4.7776580              0.0686669
      2.2825660             -0.0004995
      1.0353030              0.0014802
Ga    S
11274496.0000000             0.0000148
1688053.4000000              0.0000416
 384140.8300000              0.0001097
 108807.0300000              0.0002667
  35497.6910000              0.0006423
  12815.1040000              0.0015507
   4998.1087000              0.0038164
   2072.8848000              0.0092515
    903.7458200              0.0214694
    410.4430700              0.0439881
    192.6063600              0.0743123
     92.0496780              0.0693819
     42.0478110             -0.0656190
     21.0692170             -0.3670556
     10.4479150             -0.4085287
      4.7776580              0.2312384
      2.2825660              0.7140331
      1.0353030              0.3465773
Ga    S
11274496.0000000            -0.0000035
1688053.4000000             -0.0000097
 384140.8300000             -0.0000257
 108807.0300000             -0.0000625
  35497.6910000             -0.0001507
  12815.1040000             -0.0003634
   4998.1087000             -0.0008967
   2072.8848000             -0.0021675
    903.7458200             -0.0050593
    410.4430700             -0.0103217
    192.6063600             -0.0176880
     92.0496780             -0.0163015
     42.0478110              0.0153154
     21.0692170              0.0945371
     10.4479150              0.1056313
      4.7776580             -0.0684160
      2.2825660             -0.2684861
      1.0353030             -0.2431889
Ga    S
      0.2576740              1.0000000
Ga    S
      0.1191790              1.0000000
Ga    S
      0.0512940              1.0000000
Ga    P
  22059.7710000              0.0001895
   5222.3129000              0.0008161
   1696.0601000              0.0036080
    648.7657300              0.0138076
    275.1026700              0.0455148
    125.3463400              0.1222649
     60.0543340              0.2511555
     29.7237680              0.3591516
     15.0397810              0.2909065
      7.5722730              0.0961232
      3.7386760              0.0085053
      1.7967880              0.0013554
      0.8299100              0.0000797
Ga    P
  22059.7710000             -0.0000721
   5222.3129000             -0.0003114
   1696.0601000             -0.0013804
    648.7657300             -0.0053301
    275.1026700             -0.0178363
    125.3463400             -0.0495036
     60.0543340             -0.1059787
     29.7237680             -0.1610286
     15.0397810             -0.1102836
      7.5722730              0.1516034
      3.7386760              0.4294623
      1.7967880              0.4201505
      0.8299100              0.1558343
Ga    P
  22059.7710000              0.0000118
   5222.3129000              0.0000506
   1696.0601000              0.0002263
    648.7657300              0.0008662
    275.1026700              0.0029349
    125.3463400              0.0080718
     60.0543340              0.0176257
     29.7237680              0.0263521
     15.0397810              0.0186524
      7.5722730             -0.0324099
      3.7386760             -0.0803246
      1.7967880             -0.0996614
      0.8299100             -0.0070314
Ga    P
      0.2728740              1.0000000
Ga    P
      0.1015400              1.0000000
Ga    P
      0.0376580              1.0000000
Ga    D
    766.4369600              0.0002043
    231.0042500              0.0017452
     89.7812380              0.0094505
     39.5466810              0.0349208
     18.6075830              0.0959410
      9.1512870              0.1945035
      4.5650050              0.2822292
      2.2530660              0.3078219
      1.0867230              0.2526903
Ga    D
      0.5033040              1.0000000
Ga    D
      0.2122830              1.0000000
Ga    D
      0.0828000              1.0000000
Ga    F
      0.4710000              1.0000000
Ga    F
      0.1810000              1.0000000
Ga    G
      0.4032000              1.0000000
end
basis "Ge_cc-pvqz-dk" 
#basis SET: (75s,42p,12d,2f,1g) -> [7s,6p,4d,2f,1g]
Ge    S
12360507.0000000             0.0001254
1850697.8000000              0.0003501
 421131.4200000              0.0009182
 119278.2600000              0.0022132
  38912.2770000              0.0052537
  14048.6820000              0.0124666
   5480.6992000              0.0297706
   2274.2055000              0.0694856
    992.2412900              0.1490768
    450.9996600              0.2672390
    211.8202400              0.3413982
    101.4110200              0.2353125
     46.9140900              0.0505022
     23.5089500             -0.0017194
     11.6813110              0.0016793
      5.4345260             -0.0007899
      2.6088080              0.0003389
      1.1984420             -0.0001429
Ge    S
12360507.0000000            -0.0000399
1850697.8000000             -0.0001115
 421131.4200000             -0.0002930
 119278.2600000             -0.0007081
  38912.2770000             -0.0016893
  14048.6820000             -0.0040398
   5480.6992000             -0.0098058
   2274.2055000             -0.0235684
    992.2412900             -0.0538821
    450.9996600             -0.1093039
    211.8202400             -0.1787172
    101.4110200             -0.1667879
     46.9140900              0.1102405
     23.5089500              0.5327701
     11.6813110              0.4491280
      5.4345260              0.0802648
      2.6088080             -0.0000026
      1.1984420              0.0015904
Ge    S
12360507.0000000             0.0000154
1850697.8000000              0.0000431
 421131.4200000              0.0001134
 119278.2600000              0.0002740
  38912.2770000              0.0006544
  14048.6820000              0.0015651
   5480.6992000              0.0038114
   2274.2055000              0.0091796
    992.2412900              0.0212059
    450.9996600              0.0435954
    211.8202400              0.0740931
    101.4110200              0.0723978
     46.9140900             -0.0552386
     23.5089500             -0.3558186
     11.6813110             -0.4294906
      5.4345260              0.1839053
      2.6088080              0.7193170
      1.1984420              0.3790653
Ge    S
12360507.0000000            -0.0000040
1850697.8000000             -0.0000111
 421131.4200000             -0.0000292
 119278.2600000             -0.0000707
  38912.2770000             -0.0001689
  14048.6820000             -0.0004035
   5480.6992000             -0.0009851
   2274.2055000             -0.0023657
    992.2412900             -0.0054973
    450.9996600             -0.0112530
    211.8202400             -0.0194033
    101.4110200             -0.0187269
     46.9140900              0.0140815
     23.5089500              0.1009262
     11.6813110              0.1227674
      5.4345260             -0.0594256
      2.6088080             -0.2989059
      1.1984420             -0.2869919
Ge    S
      0.3298080              1.0000000
Ge    S
      0.1554330              1.0000000
Ge    S
      0.0669130              1.0000000
Ge    P
  24017.4660000              0.0001945
   5685.7175000              0.0008185
   1846.4859000              0.0035724
    706.2498100              0.0135752
    299.4561000              0.0447080
    136.4390400              0.1204056
     65.3901550              0.2486703
     32.3937350              0.3581298
     16.4156160              0.2933743
      8.2877870              0.0991565
      4.1126340              0.0091030
      1.9988540              0.0013896
      0.9442910              0.0000404
Ge    P
  24017.4660000             -0.0000752
   5685.7175000             -0.0003171
   1846.4859000             -0.0013878
    706.2498100             -0.0053212
    299.4561000             -0.0177878
    136.4390400             -0.0494958
     65.3901550             -0.1065591
     32.3937350             -0.1630877
     16.4156160             -0.1137000
      8.2877870              0.1482356
      4.1126340              0.4298190
      1.9988540              0.4213163
      0.9442910              0.1539937
Ge    P
  24017.4660000              0.0000148
   5685.7175000              0.0000623
   1846.4859000              0.0002745
    706.2498100              0.0010453
    299.4561000              0.0035310
    136.4390400              0.0097625
     65.3901550              0.0213795
     32.3937350              0.0323668
     16.4156160              0.0230092
      8.2877870             -0.0385579
      4.1126340             -0.0991983
      1.9988540             -0.1227246
      0.9442910             -0.0067912
Ge    P
      0.3412110              1.0000000
Ge    P
      0.1343500              1.0000000
Ge    P
      0.0517350              1.0000000
Ge    D
    864.6741100              0.0001963
    261.0376300              0.0016603
    101.7703000              0.0089824
     45.1166410              0.0332761
     21.4306860              0.0916437
     10.6598610              0.1882303
      5.3922870              0.2792207
      2.7044970              0.3112443
      1.3285440              0.2561363
Ge    D
      0.6264520              1.0000000
Ge    D
      0.2660130              1.0000000
Ge    D
      0.1063000              1.0000000
Ge    F
      0.5492000              1.0000000
Ge    F
      0.2190000              1.0000000
Ge    G
      0.4681000              1.0000000
end
basis "As_cc-pvqz-dk" 
#basis SET: (75s,42p,12d,2f,1g) -> [7s,6p,4d,2f,1g]
As    S
13600341.0000000             0.0001281
2036507.3000000              0.0003562
 463432.7800000              0.0009301
 131259.9400000              0.0022276
  42819.1920000              0.0052458
  15457.0190000              0.0123309
   6028.4583000              0.0291843
   2500.5599000              0.0677198
   1090.6149000              0.1452401
    495.6215400              0.2619983
    232.8166900              0.3403199
    111.6311800              0.2425280
     52.2699500              0.0560425
     26.1498780             -0.0011099
     13.0187570              0.0016505
      6.1554320             -0.0007865
      2.9591270              0.0003373
      1.3738740             -0.0001501
As    S
13600341.0000000            -0.0000410
2036507.3000000             -0.0001140
 463432.7800000             -0.0002982
 131259.9400000             -0.0007162
  42819.1920000             -0.0016948
  15457.0190000             -0.0040157
   6028.4583000             -0.0096556
   2500.5599000             -0.0230687
   1090.6149000             -0.0526016
    495.6215400             -0.1070835
    232.8166900             -0.1765278
    111.6311800             -0.1715660
     52.2699500              0.0889297
     26.1498780              0.5189430
     13.0187570              0.4676663
      6.1554320              0.0928651
      2.9591270              0.0007983
      1.3738740              0.0016437
As    S
13600341.0000000             0.0000160
2036507.3000000              0.0000446
 463432.7800000              0.0001166
 131259.9400000              0.0002800
  42819.1920000              0.0006633
  15457.0190000              0.0015724
   6028.4583000              0.0037917
   2500.5599000              0.0090817
   1090.6149000              0.0209082
    495.6215400              0.0431594
    232.8166900              0.0738090
    111.6311800              0.0752721
     52.2699500             -0.0451843
     26.1498780             -0.3442939
     13.0187570             -0.4482416
      6.1554320              0.1391954
      2.9591270              0.7228593
      1.3738740              0.4085359
As    S
13600341.0000000            -0.0000044
2036507.3000000             -0.0000123
 463432.7800000             -0.0000323
 131259.9400000             -0.0000775
  42819.1920000             -0.0001837
  15457.0190000             -0.0004348
   6028.4583000             -0.0010514
   2500.5599000             -0.0025109
   1090.6149000             -0.0058149
    495.6215400             -0.0119527
    232.8166900             -0.0207383
    111.6311800             -0.0209056
     52.2699500              0.0122366
     26.1498780              0.1048581
     13.0187570              0.1380268
      6.1554320             -0.0476628
      2.9591270             -0.3236730
      1.3738740             -0.3260622
As    S
      0.4088500              1.0000000
As    S
      0.1945110              1.0000000
As    S
      0.0836410              1.0000000
As    P
  25570.4180000              0.0002043
   6052.9237000              0.0008448
   1965.7002000              0.0036482
    751.7722900              0.0137712
    318.6814000              0.0452467
    145.1474900              0.1216992
     69.5411620              0.2509195
     34.4513760              0.3593791
     17.4606100              0.2908093
      8.8086090              0.0964509
      4.3786460              0.0084783
      2.1444050              0.0013971
      1.0293500             -0.0000365
As    P
  25570.4180000             -0.0000801
   6052.9237000             -0.0003324
   1965.7002000             -0.0014389
    751.7722900             -0.0054824
    318.6814000             -0.0182841
    145.1474900             -0.0508440
     69.5411620             -0.1093204
     34.4513760             -0.1665310
     17.4606100             -0.1119705
      8.8086090              0.1582078
      4.3786460              0.4394225
      2.1444050              0.4147421
      1.0293500              0.1396396
As    P
  25570.4180000              0.0000178
   6052.9237000              0.0000738
   1965.7002000              0.0003210
    751.7722900              0.0012174
    318.6814000              0.0040936
    145.1474900              0.0113436
     69.5411620              0.0247398
     34.4513760              0.0374810
     17.4606100              0.0252354
      8.8086090             -0.0462849
      4.3786460             -0.1172897
      2.1444050             -0.1395291
      1.0293500              0.0036001
As    P
      0.4046360              1.0000000
As    P
      0.1656220              1.0000000
As    P
      0.0656100              1.0000000
As    D
    996.9796000              0.0001786
    300.9851800              0.0015025
    117.2347300              0.0082298
     51.9569040              0.0311597
     24.6894400              0.0876325
     12.2951710              0.1843352
      6.2446520              0.2794446
      3.1554600              0.3157554
      1.5680490              0.2578297
As    D
      0.7486470              1.0000000
As    D
      0.3191250              1.0000000
As    D
      0.1300000              1.0000000
As    F
      0.6440000              1.0000000
As    F
      0.2640000              1.0000000
As    G
      0.5465000              1.0000000
end
basis "Se_cc-pvqz-dk" 
#basis SET: (75s,42p,12d,2f,1g) -> [7s,6p,4d,2f,1g]
Se    S
15011000.0000000             0.0001303
2247500.0000000              0.0003610
 511450.0000000              0.0009384
 144870.0000000              0.0022332
  47261.0000000              0.0052164
  17062.0000000              0.0121422
   6654.5000000              0.0284669
   2759.8000000              0.0656505
   1203.2000000              0.1408188
    546.5300000              0.2559985
    256.6300000              0.3390371
    123.1400000              0.2506722
     58.2630000              0.0625857
     29.0230000             -0.0003178
     14.4650000              0.0015954
      6.9348000             -0.0007685
      3.3299000              0.0003278
      1.5600000             -0.0001531
Se    S
15011000.0000000            -0.0000419
2247500.0000000             -0.0001161
 511450.0000000             -0.0003023
 144870.0000000             -0.0007214
  47261.0000000             -0.0016930
  17062.0000000             -0.0039731
   6654.5000000             -0.0094577
   2759.8000000             -0.0224521
   1203.2000000             -0.0510721
    546.5300000             -0.1044447
    256.6300000             -0.1739596
    123.1400000             -0.1764504
     58.2630000              0.0676008
     29.0230000              0.5042927
     14.4650000              0.4849518
      6.9348000              0.1062494
      3.3299000              0.0018677
      1.5600000              0.0016392
Se    S
15011000.0000000             0.0000165
2247500.0000000              0.0000459
 511450.0000000              0.0001194
 144870.0000000              0.0002850
  47261.0000000              0.0006694
  17062.0000000              0.0015720
   6654.5000000              0.0037516
   2759.8000000              0.0089320
   1203.2000000              0.0204985
    546.5300000              0.0425223
    256.6300000              0.0733281
    123.1400000              0.0781782
     58.2630000             -0.0349730
     29.0230000             -0.3325539
     14.4650000             -0.4650068
      6.9348000              0.0975826
      3.3299000              0.7248941
      1.5600000              0.4346646
Se    S
15011000.0000000            -0.0000049
2247500.0000000             -0.0000135
 511450.0000000             -0.0000350
 144870.0000000             -0.0000836
  47261.0000000             -0.0001966
  17062.0000000             -0.0004610
   6654.5000000             -0.0011032
   2759.8000000             -0.0026187
   1203.2000000             -0.0060460
    546.5300000             -0.0124885
    256.6300000             -0.0218509
    123.1400000             -0.0230412
     58.2630000              0.0098807
     29.0230000              0.1074920
     14.4650000              0.1523472
      6.9348000             -0.0345796
      3.3299000             -0.3461549
      1.5600000             -0.3630380
Se    S
      0.4929100              1.0000000
Se    S
      0.2352500              1.0000000
Se    S
      0.1003700              1.0000000
Se    P
  25217.0000000              0.0002334
   5969.9000000              0.0009661
   1938.9000000              0.0041635
    741.6600000              0.0156292
    314.5000000              0.0508446
    143.3100000              0.1342348
     68.6500000              0.2687028
     33.9950000              0.3654719
     17.1850000              0.2695391
      8.5740000              0.0766748
      4.2206000              0.0049392
      2.0521000              0.0012847
      0.9615600             -0.0001905
Se    P
  25217.0000000             -0.0000929
   5969.9000000             -0.0003857
   1938.9000000             -0.0016666
    741.6600000             -0.0063216
    314.5000000             -0.0208964
    143.3100000             -0.0571845
     68.6500000             -0.1195375
     33.9950000             -0.1730980
     17.1850000             -0.0894815
      8.5740000              0.2131136
      4.2206000              0.4744642
      2.0521000              0.3768487
      0.9615600              0.0889947
Se    P
  25217.0000000              0.0000224
   5969.9000000              0.0000931
   1938.9000000              0.0004028
    741.6600000              0.0015268
    314.5000000              0.0050679
    143.3100000              0.0138956
     68.6500000              0.0293016
     33.9950000              0.0426207
     17.1850000              0.0205713
      8.5740000             -0.0655065
      4.2206000             -0.1440456
      2.0521000             -0.1416899
      0.9615600              0.0680594
Se    P
      0.4215100              1.0000000
Se    P
      0.1762600              1.0000000
Se    P
      0.0706630              1.0000000
Se    D
   1143.4000000              0.0001630
    345.3300000              0.0013598
    134.4600000              0.0075189
     59.5670000              0.0290814
     28.2830000              0.0837798
     14.0610000              0.1811677
      7.1390000              0.2812152
      3.6148000              0.3214168
      1.8072000              0.2588963
Se    D
      0.8694400              1.0000000
Se    D
      0.3703600              1.0000000
Se    D
      0.1530000              1.0000000
Se    F
      0.7097000              1.0000000
Se    F
      0.2840000              1.0000000
Se    G
      0.5730000              1.0000000
end
basis "Br_cc-pvqz-dk" 
#basis SET: (75s,42p,12d,2f,1g) -> [7s,6p,4d,2f,1g]
Br    S
16475000.0000000             0.0001329
2466600.0000000              0.0003668
 561310.0000000              0.0009494
 158990.0000000              0.0022461
  51869.0000000              0.0052073
  18726.0000000              0.0120104
   7303.6000000              0.0279010
   3029.1000000              0.0638973
   1320.8000000              0.1368623
    600.0300000              0.2502349
    281.9000000              0.3368755
    135.5400000              0.2577522
     64.8700000              0.0695754
     32.1290000              0.0007984
     16.0370000              0.0014489
      7.7849000             -0.0007014
      3.7247000              0.0002926
      1.7583000             -0.0001453
Br    S
16475000.0000000            -0.0000429
2466600.0000000             -0.0001185
 561310.0000000             -0.0003072
 158990.0000000             -0.0007289
  51869.0000000             -0.0016976
  18726.0000000             -0.0039484
   7303.6000000             -0.0093084
   3029.1000000             -0.0219410
   1320.8000000             -0.0497226
    600.0300000             -0.1019813
    281.9000000             -0.1711437
    135.5400000             -0.1802775
     64.8700000              0.0473692
     32.1290000              0.4879628
     16.0370000              0.5006495
      7.7849000              0.1208402
      3.7247000              0.0032118
      1.7583000              0.0015939
Br    S
16475000.0000000             0.0000171
2466600.0000000              0.0000473
 561310.0000000              0.0001226
 158990.0000000              0.0002908
  51869.0000000              0.0006779
  18726.0000000              0.0015780
   7303.6000000              0.0037286
   3029.1000000              0.0088178
   1320.8000000              0.0201457
    600.0300000              0.0419299
    281.9000000              0.0727123
    135.5400000              0.0806250
     64.8700000             -0.0252254
     32.1290000             -0.3199661
     16.0370000             -0.4794888
      7.7849000              0.0572749
      3.7247000              0.7253427
      1.7583000              0.4588536
Br    S
16475000.0000000            -0.0000053
2466600.0000000             -0.0000145
 561310.0000000             -0.0000377
 158990.0000000             -0.0000894
  51869.0000000             -0.0002085
  18726.0000000             -0.0004847
   7303.6000000             -0.0011486
   3029.1000000             -0.0027081
   1320.8000000             -0.0062245
    600.0300000             -0.0129000
    281.9000000             -0.0226984
    135.5400000             -0.0249048
     64.8700000              0.0072616
     32.1290000              0.1083844
     16.0370000              0.1650089
      7.7849000             -0.0201229
      3.7247000             -0.3644571
      1.7583000             -0.3967725
Br    S
      0.5833100              1.0000000
Br    S
      0.2785600              1.0000000
Br    S
      0.1182900              1.0000000
Br    P
  26607.0000000              0.0002461
   6298.2000000              0.0010035
   2045.2000000              0.0042844
    782.1600000              0.0159811
    331.6300000              0.0518132
    151.1100000              0.1363384
     72.3920000              0.2717214
     35.8620000              0.3662189
     18.1340000              0.2655160
      9.0430000              0.0736289
      4.4500000              0.0044829
      2.1661000              0.0012090
      0.9962800             -0.0002215
Br    P
  26607.0000000             -0.0000993
   6298.2000000             -0.0004062
   2045.2000000             -0.0017392
    782.1600000             -0.0065556
    331.6300000             -0.0216064
    151.1100000             -0.0589530
     72.3920000             -0.1228123
     35.8620000             -0.1761001
     18.1340000             -0.0853725
      9.0430000              0.2264412
      4.4500000              0.4859297
      2.1661000              0.3651096
      0.9962800              0.0748584
Br    P
  26607.0000000              0.0000257
   6298.2000000              0.0001050
   2045.2000000              0.0004497
    782.1600000              0.0016974
    331.6300000              0.0056053
    151.1100000              0.0153694
     72.3920000              0.0322002
     35.8620000              0.0466542
     18.1340000              0.0202782
      9.0430000             -0.0742025
      4.4500000             -0.1630600
      2.1661000             -0.1454754
      0.9962800              0.1117576
Br    P
      0.4544300              1.0000000
Br    P
      0.1940400              1.0000000
Br    P
      0.0789970              1.0000000
Br    D
   1289.6000000              0.0001527
    389.7500000              0.0012619
    151.7600000              0.0070154
     67.2230000              0.0275756
     31.9130000              0.0809015
     15.8570000              0.1786691
      8.0545000              0.2826135
      4.0887000              0.3259893
      2.0556000              0.2592316
Br    D
      0.9950900              1.0000000
Br    D
      0.4231300              1.0000000
Br    D
      0.1779000              1.0000000
Br    F
      0.8257000              1.0000000
Br    F
      0.3407000              1.0000000
Br    G
      0.6491000              1.0000000
end
basis "Kr_cc-pvqz-dk" 
#basis SET: (75s,42p,12d,2f,1g) -> [7s,6p,4d,2f,1g]
Kr    S
18226108.0000000             0.0001346
2728802.5000000              0.0003699
 620997.7100000              0.0009532
 175899.5800000              0.0022414
  57387.4970000              0.0051564
  20717.1810000              0.0117831
   8078.8899000              0.0271181
   3349.5170000              0.0617018
   1459.7812000              0.1320938
    662.8939100              0.2433513
    311.3921500              0.3342231
    149.9375100              0.2660010
     72.4982490              0.0783391
     35.5693540              0.0022830
     17.7666330              0.0012440
      8.7123830             -0.0006064
      4.1449710              0.0002445
      1.9696490             -0.0001311
Kr    S
18226108.0000000            -0.0000436
2728802.5000000             -0.0001200
 620997.7100000             -0.0003098
 175899.5800000             -0.0007306
  57387.4970000             -0.0016882
  20717.1810000             -0.0038910
   8078.8899000             -0.0090818
   3349.5170000             -0.0212637
   1459.7812000             -0.0480311
    662.8939100             -0.0989321
    311.3921500             -0.1676847
    149.9375100             -0.1842099
     72.4982490              0.0259546
     35.5693540              0.4697271
     17.7666330              0.5159235
      8.7123830              0.1369852
      4.1449710              0.0048179
      1.9696490              0.0015158
Kr    S
18226108.0000000             0.0000176
2728802.5000000              0.0000483
 620997.7100000              0.0001248
 175899.5800000              0.0002943
  57387.4970000              0.0006806
  20717.1810000              0.0015702
   8078.8899000              0.0036720
   3349.5170000              0.0086288
   1459.7812000              0.0196348
    662.8939100              0.0410530
    311.3921500              0.0717503
    149.9375100              0.0830652
     72.4982490             -0.0147751
     35.5693540             -0.3060106
     17.7666330             -0.4924458
      8.7123830              0.0173704
      4.1449710              0.7241199
      1.9696490              0.4816145
Kr    S
18226108.0000000            -0.0000056
2728802.5000000             -0.0000154
 620997.7100000             -0.0000398
 175899.5800000             -0.0000939
  57387.4970000             -0.0002175
  20717.1810000             -0.0005010
   8078.8899000             -0.0011749
   3349.5170000             -0.0027527
   1459.7812000             -0.0063013
    662.8939100             -0.0131196
    311.3921500             -0.0232625
    149.9375100             -0.0266687
     72.4982490              0.0041194
     35.5693540              0.1076512
     17.7666330              0.1764312
      8.7123830             -0.0044879
      4.1449710             -0.3791695
      1.9696490             -0.4281149
Kr    S
      0.6799520              1.0000000
Kr    S
      0.3245020              1.0000000
Kr    S
      0.1374410              1.0000000
Kr    P
  28600.8310000              0.0002534
   6770.9912000              0.0010131
   2199.0489000              0.0042729
    841.1795700              0.0158146
    356.7663300              0.0511469
    162.6362000              0.1347035
     77.9660350              0.2695313
     38.6614890              0.3656351
     19.5767910              0.2680330
      9.7917610              0.0758652
      4.8353830              0.0047626
      2.3681250              0.0011771
      1.0899960             -0.0002294
Kr    P
  28600.8310000             -0.0001036
   6770.9912000             -0.0004157
   2199.0489000             -0.0017585
    841.1795700             -0.0065757
    356.7663300             -0.0216222
    162.6362000             -0.0590317
     77.9660350             -0.1235313
     38.6614890             -0.1782107
     19.5767910             -0.0889368
      9.7917610              0.2246505
      4.8353830              0.4903919
      2.3681250              0.3649839
      1.0899960              0.0721021
Kr    P
  28600.8310000              0.0000281
   6770.9912000              0.0001129
   2199.0489000              0.0004774
    841.1795700              0.0017895
    356.7663300              0.0058901
    162.6362000              0.0161827
     77.9660350              0.0340172
     38.6614890              0.0497318
     19.5767910              0.0220555
      9.7917610             -0.0778025
      4.8353830             -0.1765263
      2.3681250             -0.1520689
      1.0899960              0.1361487
Kr    P
      0.5045880              1.0000000
Kr    P
      0.2184550              1.0000000
Kr    P
      0.0899590              1.0000000
Kr    D
   1437.7792000              0.0001457
    434.2684600              0.0011947
    168.9269900              0.0066778
     74.7775350              0.0265666
     35.5160240              0.0788804
     17.6710510              0.1764128
      9.0046110              0.2825681
      4.5947730              0.3287200
      2.3264860              0.2596116
Kr    D
      1.1332470              1.0000000
Kr    D
      0.4813070              1.0000000
Kr    D
      0.2053000              1.0000000
Kr    F
      0.9557000              1.0000000
Kr    F
      0.4130000              1.0000000
Kr    G
      0.7395000              1.0000000
end
