# BSE Version v0.8.4+29.gb6d6a1b
# Data downloaded at 2019-06-24T14:04
# cc-pwcv5z version number 0
# Description: 5Z4P    Quintuple Zeta + Polarization + Tight Core
# 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
# ********************************************************************************
# B-Ne
#     ## cc-pV5Z
#     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
# 
#     ## 4T      Tight Functions
#     Peterson, Kirk A., Dunning, Thom H.
#     Accurate correlation consistent basis sets for molecular core-valence
#             correlation effects: The second row atoms Al-Ar, and the first
#             row atoms B-Ne revisited
#     J. Chem. Phys., 117, 10548-10560 (2002)
#     10.1063/1.1520138
# 
# Al-Ar
#     ## 
#     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
# 
#     Peterson, Kirk A., Dunning, Thom H.
#     Accurate correlation consistent basis sets for molecular core-valence
#             correlation effects: The second row atoms Al-Ar, and the first
#             row atoms B-Ne revisited
#     J. Chem. Phys., 117, 10548-10560 (2002)
#     10.1063/1.1520138
# 
# Sc-Zn
#     ## cc-pV5Z
#     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
# 
#     ## 5Z4P    All-electron non-relativistic Core-Valence Quintuple Zeta + Polarization
#     Balabanov, Nikolai B., Peterson, Kirk A.
#     Systematically convergent basis sets for transition metals. I. All-
#             electron correlation consistent basis sets for the 3d elements
#             Sc-Zn
#     J. Chem. Phys., 123, 064107 (2005)
#     10.1063/1.1998907
# 
# # 
basis "B_cc-pwcv5z" 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
B    S
  68260.0000000              0.0000240
  10230.0000000              0.0001850
   2328.0000000              0.0009700
    660.4000000              0.0040560
    216.2000000              0.0143990
     78.6000000              0.0439010
     30.9800000              0.1130570
     12.9600000              0.2338250
      5.6590000              0.3539600
      2.5560000              0.3015470
B    S
  68260.0000000             -0.0000050
  10230.0000000             -0.0000370
   2328.0000000             -0.0001960
    660.4000000             -0.0008240
    216.2000000             -0.0029230
     78.6000000             -0.0091380
     30.9800000             -0.0241050
     12.9600000             -0.0547550
      5.6590000             -0.0969430
      2.5560000             -0.1374850
B    S
     63.419                  1.000000
B    S
     28.595                  1.000000
B    S
     12.894                  1.000000
B    S
      5.8140                 1.000000
B    S
      1.1750000              1.0000000
B    S
      0.4249000              1.0000000
B    S
      0.1712000              1.0000000
B    S
      0.0691300              1.0000000
B    P
     66.4400000              0.0008380
     15.7100000              0.0064090
      4.9360000              0.0280810
      1.7700000              0.0921520
B    P
     68.613                  1.000000
B    P
     26.548                  1.000000
B    P
     10.272                  1.000000
B    P
      3.9740                 1.000000
B    P
      0.7008000              1.0000000
B    P
      0.2901000              1.0000000
B    P
      0.1211000              1.0000000
B    P
      0.0497300              1.0000000
B    D
     43.437                  1.000000
B    D
     14.671                  1.000000
B    D
      4.9550                 1.000000
B    D
      2.0100000              1.0000000
B    D
      0.7960000              1.0000000
B    D
      0.3160000              1.0000000
B    D
      0.1250000              1.0000000
B    F
     20.450                  1.000000
B    F
      4.2920                 1.000000
B    F
      1.2150000              1.0000000
B    F
      0.5250000              1.0000000
B    F
      0.2270000              1.0000000
B    G
      4.3880                 1.000000
B    G
      1.1240000              1.0000000
B    G
      0.4610000              1.0000000
B    H
      0.8340000              1.0000000
end
basis "C_cc-pwcv5z" 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
C    S
  96770.0000000              0.0000250
  14500.0000000              0.0001900
   3300.0000000              0.0010000
    935.8000000              0.0041830
    306.2000000              0.0148590
    111.3000000              0.0453010
     43.9000000              0.1165040
     18.4000000              0.2402490
      8.0540000              0.3587990
      3.6370000              0.2939410
C    S
  96770.0000000             -0.0000050
  14500.0000000             -0.0000410
   3300.0000000             -0.0002130
    935.8000000             -0.0008970
    306.2000000             -0.0031870
    111.3000000             -0.0099610
     43.9000000             -0.0263750
     18.4000000             -0.0600010
      8.0540000             -0.1068250
      3.6370000             -0.1441660
C    S
     83.731                  1.000000
C    S
     38.226                  1.000000
C    S
     17.452                  1.000000
C    S
      7.9670                 1.000000
C    S
      1.6560000              1.0000000
C    S
      0.6333000              1.0000000
C    S
      0.2545000              1.0000000
C    S
      0.1019000              1.0000000
C    P
    101.8000000              0.0008910
     24.0400000              0.0069760
      7.5710000              0.0316690
      2.7320000              0.1040060
C    P
     98.017                  1.000000
C    P
     38.799                  1.000000
C    P
     15.358                  1.000000
C    P
      6.0800                 1.000000
C    P
      1.0850000              1.0000000
C    P
      0.4496000              1.0000000
C    P
      0.1876000              1.0000000
C    P
      0.0760600              1.0000000
C    D
     60.439                  1.000000
C    D
     21.419                  1.000000
C    D
      7.5910                 1.000000
C    D
      3.1340000              1.0000000
C    D
      1.2330000              1.0000000
C    D
      0.4850000              1.0000000
C    D
      0.1910000              1.0000000
C    F
     24.398                  1.000000
C    F
      6.6980                 1.000000
C    F
      2.0060000              1.0000000
C    F
      0.8380000              1.0000000
C    F
      0.3500000              1.0000000
C    G
      7.3110                 1.000000
C    G
      1.7530000              1.0000000
C    G
      0.6780000              1.0000000
C    H
      1.2590000              1.0000000
end
basis "N_cc-pwcv5z" 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
N    S
 129200.0000000              0.0000250
  19350.0000000              0.0001970
   4404.0000000              0.0010320
   1248.0000000              0.0043250
    408.0000000              0.0153800
    148.2000000              0.0468670
     58.5000000              0.1201160
     24.5900000              0.2456950
     10.8100000              0.3613790
      4.8820000              0.2872830
N    S
 129200.0000000             -0.0000060
  19350.0000000             -0.0000430
   4404.0000000             -0.0002270
   1248.0000000             -0.0009580
    408.0000000             -0.0034160
    148.2000000             -0.0106670
     58.5000000             -0.0282790
     24.5900000             -0.0640200
     10.8100000             -0.1139320
      4.8820000             -0.1469950
N    S
    106.226                  1.000000
N    S
     48.993                  1.000000
N    S
     22.596                  1.000000
N    S
     10.422                  1.000000
N    S
      2.1950000              1.0000000
N    S
      0.8715000              1.0000000
N    S
      0.3504000              1.0000000
N    S
      0.1397000              1.0000000
N    P
    147.0000000              0.0008920
     34.7600000              0.0070820
     11.0000000              0.0328160
      3.9950000              0.1082090
N    P
    132.544                  1.000000
N    P
     53.600                  1.000000
N    P
     21.676                  1.000000
N    P
      8.7660                 1.000000
N    P
      1.5870000              1.0000000
N    P
      0.6533000              1.0000000
N    P
      0.2686000              1.0000000
N    P
      0.1067000              1.0000000
N    D
     80.643                  1.000000
N    D
     29.806                  1.000000
N    D
     11.016                  1.000000
N    D
      4.6470000              1.0000000
N    D
      1.8130000              1.0000000
N    D
      0.7070000              1.0000000
N    D
      0.2760000              1.0000000
N    F
     30.752                  1.000000
N    F
      9.4860                 1.000000
N    F
      2.9420000              1.0000000
N    F
      1.2040000              1.0000000
N    F
      0.4930000              1.0000000
N    G
     10.835                  1.000000
N    G
      2.5110000              1.0000000
N    G
      0.9420000              1.0000000
N    H
      1.7680000              1.0000000
end
basis "O_cc-pwcv5z" 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
O    S
 164200.0000000              0.0000260
  24590.0000000              0.0002050
   5592.0000000              0.0010760
   1582.0000000              0.0045220
    516.1000000              0.0161080
    187.2000000              0.0490850
     73.9300000              0.1248570
     31.2200000              0.2516860
     13.8100000              0.3624200
      6.2560000              0.2790510
O    S
 164200.0000000             -0.0000060
  24590.0000000             -0.0000460
   5592.0000000             -0.0002440
   1582.0000000             -0.0010310
    516.1000000             -0.0036880
    187.2000000             -0.0115140
     73.9300000             -0.0304350
     31.2200000             -0.0681470
     13.8100000             -0.1203680
      6.2560000             -0.1482600
O    S
    133.900                  1.000000
O    S
     61.449                  1.000000
O    S
     28.200                  1.000000
O    S
     12.941                  1.000000
O    S
      2.7760000              1.0000000
O    S
      1.1380000              1.0000000
O    S
      0.4600000              1.0000000
O    S
      0.1829000              1.0000000
O    P
    195.5000000              0.0009180
     46.1600000              0.0073880
     14.5800000              0.0349580
      5.2960000              0.1154310
O    P
    169.998                  1.000000
O    P
     69.387                  1.000000
O    P
     28.321                  1.000000
O    P
     11.560                  1.000000
O    P
      2.0940000              1.0000000
O    P
      0.8471000              1.0000000
O    P
      0.3368000              1.0000000
O    P
      0.1285000              1.0000000
O    D
     99.026                  1.000000
O    D
     37.245                  1.000000
O    D
     14.008                  1.000000
O    D
      5.8790000              1.0000000
O    D
      2.3070000              1.0000000
O    D
      0.9050000              1.0000000
O    D
      0.3550000              1.0000000
O    F
     38.737                  1.000000
O    F
     12.653                  1.000000
O    F
      4.0160000              1.0000000
O    F
      1.5540000              1.0000000
O    F
      0.6010000              1.0000000
O    G
     14.886                  1.000000
O    G
      3.3500000              1.0000000
O    G
      1.1890000              1.0000000
O    H
      2.3190000              1.0000000
end
basis "F_cc-pwcv5z" 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
F    S
 211400.0000000              0.0000260
  31660.0000000              0.0002010
   7202.0000000              0.0010560
   2040.0000000              0.0044320
    666.4000000              0.0157660
    242.0000000              0.0481120
     95.5300000              0.1232320
     40.2300000              0.2515190
     17.7200000              0.3645250
      8.0050000              0.2797660
F    S
 211400.0000000             -0.0000060
  31660.0000000             -0.0000470
   7202.0000000             -0.0002440
   2040.0000000             -0.0010310
    666.4000000             -0.0036830
    242.0000000             -0.0115130
     95.5300000             -0.0306630
     40.2300000             -0.0695720
     17.7200000             -0.1239920
      8.0050000             -0.1502140
F    S
    162.845                  1.000000
F    S
     75.531                  1.000000
F    S
     35.033                  1.000000
F    S
     16.249                  1.000000
F    S
      3.5380000              1.0000000
F    S
      1.4580000              1.0000000
F    S
      0.5887000              1.0000000
F    S
      0.2324000              1.0000000
F    P
    241.9000000              0.0010020
     57.1700000              0.0080540
     18.1300000              0.0380480
      6.6240000              0.1237790
F    P
    209.293                  1.000000
F    P
     86.051                  1.000000
F    P
     35.380                  1.000000
F    P
     14.547                  1.000000
F    P
      2.6220000              1.0000000
F    P
      1.0570000              1.0000000
F    P
      0.4176000              1.0000000
F    P
      0.1574000              1.0000000
F    D
    123.771                  1.000000
F    D
     47.634                  1.000000
F    D
     18.333                  1.000000
F    D
      7.7600000              1.0000000
F    D
      3.0320000              1.0000000
F    D
      1.1850000              1.0000000
F    D
      0.4630000              1.0000000
F    F
     49.413                  1.000000
F    F
     16.646                  1.000000
F    F
      5.3980000              1.0000000
F    F
      2.0780000              1.0000000
F    F
      0.8000000              1.0000000
F    G
     19.609                  1.000000
F    G
      4.3380000              1.0000000
F    G
      1.5130000              1.0000000
F    H
      2.9950000              1.0000000
end
basis "Ne_cc-pwcv5z" 
#basis SET: (28s,12p,7d,5f,3g,1h) -> [10s,9p,7d,5f,3g,1h]
Ne    S
 262700.0000000              0.0000260
  39350.0000000              0.0002000
   8955.0000000              0.0010500
   2538.0000000              0.0044000
    829.9000000              0.0156490
    301.5000000              0.0477580
    119.0000000              0.1229430
     50.0000000              0.2524830
     21.9800000              0.3663140
      9.8910000              0.2796170
Ne    S
 262700.0000000             -0.0000060
  39350.0000000             -0.0000470
   8955.0000000             -0.0002470
   2538.0000000             -0.0010380
    829.9000000             -0.0037110
    301.5000000             -0.0115930
    119.0000000             -0.0310860
     50.0000000             -0.0709720
     21.9800000             -0.1272660
      9.8910000             -0.1512310
Ne    S
    195.256                  1.000000
Ne    S
     91.139                  1.000000
Ne    S
     42.541                  1.000000
Ne    S
     19.856                  1.000000
Ne    S
      4.3270000              1.0000000
Ne    S
      1.8040000              1.0000000
Ne    S
      0.7288000              1.0000000
Ne    S
      0.2867000              1.0000000
Ne    P
    299.1000000              0.0010380
     70.7300000              0.0083750
     22.4800000              0.0396930
      8.2460000              0.1280560
Ne    P
    250.919                  1.000000
Ne    P
    104.438                  1.000000
Ne    P
     43.469                  1.000000
Ne    P
     18.093                  1.000000
Ne    P
      3.2690000              1.0000000
Ne    P
      1.3150000              1.0000000
Ne    P
      0.5158000              1.0000000
Ne    P
      0.1918000              1.0000000
Ne    D
    150.508                  1.000000
Ne    D
     58.983                  1.000000
Ne    D
     23.115                  1.000000
Ne    D
      9.8370000              1.0000000
Ne    D
      3.8440000              1.0000000
Ne    D
      1.5020000              1.0000000
Ne    D
      0.5870000              1.0000000
Ne    F
     62.368                  1.000000
Ne    F
     21.460                  1.000000
Ne    F
      7.0900000              1.0000000
Ne    F
      2.7380000              1.0000000
Ne    F
      1.0570000              1.0000000
Ne    G
     24.973                  1.000000
Ne    G
      5.4600000              1.0000000
Ne    G
      1.8800000              1.0000000
Ne    H
      3.7760000              1.0000000
end
basis "Al_cc-pwcv5z" 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
Al    S
3269000.0000000              0.213962E-05
 489400.0000000              0.166264E-04
 111400.0000000              0.875168E-04
  31560.0000000              0.368990E-03
  10320.0000000              0.133903E-02
   3731.0000000              0.435636E-02
   1456.0000000              0.128955E-01
    604.1000000              0.348201E-01
    263.5000000              0.843530E-01
    119.8000000              0.175907E+00
     56.3200000              0.292091E+00
Al    S
3269000.0000000             -0.556026E-06
 489400.0000000             -0.432303E-05
 111400.0000000             -0.227413E-04
  31560.0000000             -0.960116E-04
  10320.0000000             -0.348376E-03
   3731.0000000             -0.113836E-02
   1456.0000000             -0.338744E-02
    604.1000000             -0.931505E-02
    263.5000000             -0.233023E-01
    119.8000000             -0.523486E-01
     56.3200000             -0.999499E-01
Al    S
     27.1900000              1.0000000
Al    S
     13.2600000              1.0000000
Al    S
      6.0520000              1.0000000
Al    S
      2.9810000              1.0000000
Al    S
      1.4760000              1.0000000
Al    S
      0.7334000              1.0000000
Al    S
      0.2447000              1.0000000
Al    S
      0.1088000              1.0000000
Al    S
      0.0467200              1.0000000
Al    P
   1461.0000000              0.208613E-03
    346.2000000              0.181005E-02
    112.2000000              0.973433E-02
Al    P
     42.5100000              1.0000000
Al    P
     17.7200000              1.0000000
Al    P
      7.8520000              1.0000000
Al    P
      3.5710000              1.0000000
Al    P
      1.6370000              1.0000000
Al    P
      0.7382000              1.0000000
Al    P
      0.2577000              1.0000000
Al    P
      0.0977300              1.0000000
Al    P
      0.0369000              1.0000000
Al    D
     23.9730000              1.0000000
Al    D
     11.4150000              1.0000000
Al    D
      5.4360000              1.0000000
Al    D
      2.5890000              1.0000000
Al    D
      1.3170000              1.0000000
Al    D
      0.5260000              1.0000000
Al    D
      0.2100000              1.0000000
Al    D
      0.0840000              1.0000000
Al    F
     10.5130000              1.0000000
Al    F
      3.9740000              1.0000000
Al    F
      1.5020000              1.0000000
Al    F
      0.5130000              1.0000000
Al    F
      0.2580000              1.0000000
Al    F
      0.1300000              1.0000000
Al    G
      9.0060000              1.0000000
Al    G
      1.7460000              1.0000000
Al    G
      0.5430000              1.0000000
Al    G
      0.2520000              1.0000000
Al    H
      1.8300000              1.0000000
Al    H
      0.4460000              1.0000000
end
basis "Si_cc-pwcv5z" 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
Si    S
3948000.0000000              0.203712E-05
 591100.0000000              0.158394E-04
 134500.0000000              0.833590E-04
  38120.0000000              0.351361E-03
  12460.0000000              0.127660E-02
   4504.0000000              0.415191E-02
   1758.0000000              0.123030E-01
    729.1000000              0.333102E-01
    318.0000000              0.809845E-01
    144.6000000              0.170290E+00
     67.9700000              0.286879E+00
Si    S
3948000.0000000             -0.542085E-06
 591100.0000000             -0.421677E-05
 134500.0000000             -0.221813E-04
  38120.0000000             -0.936028E-04
  12460.0000000             -0.340116E-03
   4504.0000000             -0.111061E-02
   1758.0000000             -0.330878E-02
    729.1000000             -0.911602E-02
    318.0000000             -0.228790E-01
    144.6000000             -0.517119E-01
     67.9700000             -0.999091E-01
Si    S
     32.8200000              1.0000000
Si    S
     16.0300000              1.0000000
Si    S
      7.3960000              1.0000000
Si    S
      3.6610000              1.0000000
Si    S
      1.8230000              1.0000000
Si    S
      0.9147000              1.0000000
Si    S
      0.3393000              1.0000000
Si    S
      0.1500000              1.0000000
Si    S
      0.0643800              1.0000000
Si    P
   1780.0000000              0.201206E-03
    421.8000000              0.174937E-02
    136.7000000              0.948141E-02
Si    P
     51.8100000              1.0000000
Si    P
     21.6000000              1.0000000
Si    P
      9.5630000              1.0000000
Si    P
      4.3500000              1.0000000
Si    P
      2.0060000              1.0000000
Si    P
      0.9205000              1.0000000
Si    P
      0.3500000              1.0000000
Si    P
      0.1381000              1.0000000
Si    P
      0.0533800              1.0000000
Si    D
     29.7320000              1.0000000
Si    D
     13.4200000              1.0000000
Si    D
      6.0570000              1.0000000
Si    D
      2.7340000              1.0000000
Si    D
      2.0820000              1.0000000
Si    D
      0.8170000              1.0000000
Si    D
      0.3210000              1.0000000
Si    D
      0.1260000              1.0000000
Si    F
     13.3810000              1.0000000
Si    F
      5.1010000              1.0000000
Si    F
      1.9450000              1.0000000
Si    F
      0.6880000              1.0000000
Si    F
      0.3410000              1.0000000
Si    F
      0.1690000              1.0000000
Si    G
     11.4350000              1.0000000
Si    G
      2.1610000              1.0000000
Si    G
      0.7050000              1.0000000
Si    G
      0.3200000              1.0000000
Si    H
      2.2250000              1.0000000
Si    H
      0.5830000              1.0000000
end
basis "P_cc-pwcv5z" 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
P    S
4666000.0000000              0.196759E-05
 698600.0000000              0.152963E-04
 159000.0000000              0.804826E-04
  45040.0000000              0.339737E-03
  14720.0000000              0.123291E-02
   5323.0000000              0.401345E-02
   2076.0000000              0.119124E-01
    861.1000000              0.322511E-01
    375.7000000              0.786643E-01
    170.8000000              0.166458E+00
     80.2900000              0.283039E+00
P    S
4666000.0000000             -0.534153E-06
 698600.0000000             -0.415422E-05
 159000.0000000             -0.218484E-04
  45040.0000000             -0.923272E-04
  14720.0000000             -0.335109E-03
   5323.0000000             -0.109508E-02
   2076.0000000             -0.326798E-02
    861.1000000             -0.899951E-02
    375.7000000             -0.226528E-01
    170.8000000             -0.514650E-01
     80.2900000             -0.100186E+00
P    S
     38.7700000              1.0000000
P    S
     18.9300000              1.0000000
P    S
      8.7960000              1.0000000
P    S
      4.3580000              1.0000000
P    S
      2.1740000              1.0000000
P    S
      1.0950000              1.0000000
P    S
      0.4400000              1.0000000
P    S
      0.1945000              1.0000000
P    S
      0.0837600              1.0000000
P    P
   2010.0000000              0.215915E-03
    476.3000000              0.187536E-02
    154.4000000              0.101742E-01
P    P
     58.5100000              1.0000000
P    P
     24.4000000              1.0000000
P    P
     10.8000000              1.0000000
P    P
      4.9130000              1.0000000
P    P
      2.2690000              1.0000000
P    P
      1.0430000              1.0000000
P    P
      0.4313000              1.0000000
P    P
      0.1767000              1.0000000
P    P
      0.0700900              1.0000000
P    D
     37.3860000              1.0000000
P    D
     17.0310000              1.0000000
P    D
      7.7590000              1.0000000
P    D
      3.5350000              1.0000000
P    D
      2.6560000              1.0000000
P    D
      1.0540000              1.0000000
P    D
      0.4180000              1.0000000
P    D
      0.1660000              1.0000000
P    F
     17.0100000              1.0000000
P    F
      6.5270000              1.0000000
P    F
      2.5040000              1.0000000
P    F
      0.9230000              1.0000000
P    F
      0.4500000              1.0000000
P    F
      0.2190000              1.0000000
P    G
     14.1340000              1.0000000
P    G
      2.6540000              1.0000000
P    G
      0.9030000              1.0000000
P    G
      0.4120000              1.0000000
P    H
      2.7040000              1.0000000
P    H
      0.7450000              1.0000000
end
basis "S_cc-pwcv5z" 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
S    S
5481000.0000000              0.189338E-05
 820600.0000000              0.147211E-04
 186700.0000000              0.775084E-04
  52880.0000000              0.327224E-03
  17250.0000000              0.119365E-02
   6226.0000000              0.388393E-02
   2429.0000000              0.115336E-01
   1007.0000000              0.312748E-01
    439.5000000              0.764387E-01
    199.8000000              0.162700E+00
     93.9200000              0.279328E+00
S    S
5481000.0000000             -0.522912E-06
 820600.0000000             -0.406690E-05
 186700.0000000             -0.214065E-04
  52880.0000000             -0.904540E-04
  17250.0000000             -0.330080E-03
   6226.0000000             -0.107782E-02
   2429.0000000             -0.321874E-02
   1007.0000000             -0.887217E-02
    439.5000000             -0.223771E-01
    199.8000000             -0.510577E-01
     93.9200000             -0.100225E+00
S    S
     45.3400000              1.0000000
S    S
     22.1500000              1.0000000
S    S
     10.3400000              1.0000000
S    S
      5.1190000              1.0000000
S    S
      2.5530000              1.0000000
S    S
      1.2820000              1.0000000
S    S
      0.5450000              1.0000000
S    S
      0.2411000              1.0000000
S    S
      0.1035000              1.0000000
S    P
   2200.0000000              0.239049E-03
    521.4000000              0.207686E-02
    169.0000000              0.112363E-01
S    P
     64.0500000              1.0000000
S    P
     26.7200000              1.0000000
S    P
     11.8300000              1.0000000
S    P
      5.3780000              1.0000000
S    P
      2.4820000              1.0000000
S    P
      1.1160000              1.0000000
S    P
      0.4848000              1.0000000
S    P
      0.2006000              1.0000000
S    P
      0.0795100              1.0000000
S    D
     45.4580000              1.0000000
S    D
     21.0130000              1.0000000
S    D
      9.7130000              1.0000000
S    D
      4.4900000              1.0000000
S    D
      3.2030000              1.0000000
S    D
      1.2810000              1.0000000
S    D
      0.5120000              1.0000000
S    D
      0.2050000              1.0000000
S    F
     20.4850000              1.0000000
S    F
      7.8370000              1.0000000
S    F
      2.9980000              1.0000000
S    F
      1.0960000              1.0000000
S    F
      0.5290000              1.0000000
S    F
      0.2550000              1.0000000
S    G
     17.1010000              1.0000000
S    G
      3.1540000              1.0000000
S    G
      1.0710000              1.0000000
S    G
      0.4630000              1.0000000
S    H
      3.2310000              1.0000000
S    H
      0.8720000              1.0000000
end
basis "Cl_cc-pwcv5z" 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
Cl    S
6410000.0000000              0.181350E-05
 959600.0000000              0.141118E-04
 218300.0000000              0.742406E-04
  61810.0000000              0.314131E-03
  20140.0000000              0.114642E-02
   7264.0000000              0.373888E-02
   2832.0000000              0.110946E-01
   1175.0000000              0.301152E-01
    512.6000000              0.739145E-01
    233.0000000              0.158258E+00
    109.5000000              0.274753E+00
Cl    S
6410000.0000000             -0.508303E-06
 959600.0000000             -0.395633E-05
 218300.0000000             -0.208095E-04
  61810.0000000             -0.881175E-04
  20140.0000000             -0.321742E-03
   7264.0000000             -0.105277E-02
   2832.0000000             -0.314183E-02
   1175.0000000             -0.866363E-02
    512.6000000             -0.219353E-01
    233.0000000             -0.502584E-01
    109.5000000             -0.995414E-01
Cl    S
     52.8600000              1.0000000
Cl    S
     25.8400000              1.0000000
Cl    S
     12.1700000              1.0000000
Cl    S
      6.0300000              1.0000000
Cl    S
      3.0120000              1.0000000
Cl    S
      1.5110000              1.0000000
Cl    S
      0.6604000              1.0000000
Cl    S
      0.2926000              1.0000000
Cl    S
      0.1254000              1.0000000
Cl    P
   2548.0000000              0.235702E-03
    603.7000000              0.205158E-02
    195.6000000              0.111543E-01
Cl    P
     74.1500000              1.0000000
Cl    P
     30.9400000              1.0000000
Cl    P
     13.6900000              1.0000000
Cl    P
      6.2290000              1.0000000
Cl    P
      2.8780000              1.0000000
Cl    P
      1.2820000              1.0000000
Cl    P
      0.5641000              1.0000000
Cl    P
      0.2348000              1.0000000
Cl    P
      0.0931200              1.0000000
Cl    D
     54.6490000              1.0000000
Cl    D
     25.7700000              1.0000000
Cl    D
     12.1520000              1.0000000
Cl    D
      5.7310000              1.0000000
Cl    D
      3.7810000              1.0000000
Cl    D
      1.5290000              1.0000000
Cl    D
      0.6180000              1.0000000
Cl    D
      0.2500000              1.0000000
Cl    F
     24.7740000              1.0000000
Cl    F
      9.4950000              1.0000000
Cl    F
      3.6390000              1.0000000
Cl    F
      1.3450000              1.0000000
Cl    F
      0.6560000              1.0000000
Cl    F
      0.3200000              1.0000000
Cl    G
     20.3680000              1.0000000
Cl    G
      3.7560000              1.0000000
Cl    G
      1.3020000              1.0000000
Cl    G
      0.5560000              1.0000000
Cl    H
      3.8360000              1.0000000
Cl    H
      1.0530000              1.0000000
end
basis "Ar_cc-pwcv5z" 
#basis SET: (31s,12p,8d,6f,4g,2h) -> [11s,10p,8d,6f,4g,2h]
Ar    S
7401000.0000000              0.00000175
1108000.0000000              0.00001361
 252100.0000000              0.00007163
  71380.0000000              0.00030303
  23260.0000000              0.00110608
   8390.0000000              0.00360671
   3271.0000000              0.01071321
   1357.0000000              0.02910677
    592.0000000              0.07166011
    269.1000000              0.15414053
    126.5000000              0.27041707
Ar    S
7401000.0000000             -0.00000050
1108000.0000000             -0.00000387
 252100.0000000             -0.00002034
  71380.0000000             -0.00008609
  23260.0000000             -0.00031444
   8390.0000000             -0.00102841
   3271.0000000             -0.00307267
   1357.0000000             -0.00847532
    592.0000000             -0.02152008
    269.1000000             -0.04944932
    126.5000000             -0.09877592
Ar    S
     61.0300000              1.0000000
Ar    S
     29.8600000              1.0000000
Ar    S
     14.1700000              1.0000000
Ar    S
      7.0220000              1.0000000
Ar    S
      3.5110000              1.0000000
Ar    S
      1.7580000              1.0000000
Ar    S
      0.7841000              1.0000000
Ar    S
      0.3480000              1.0000000
Ar    S
      0.1491000              1.0000000
Ar    P
   2927.0000000              0.00023199
    693.5000000              0.00202329
    224.7000000              0.01103401
Ar    P
     85.1700000              1.0000000
Ar    P
     35.5300000              1.0000000
Ar    P
     15.7300000              1.0000000
Ar    P
      7.1650000              1.0000000
Ar    P
      3.3220000              1.0000000
Ar    P
      1.4780000              1.0000000
Ar    P
      0.6552000              1.0000000
Ar    P
      0.2751000              1.0000000
Ar    P
      0.1097000              1.0000000
Ar    D
     64.0290000              1.0000000
Ar    D
     29.4820000              1.0000000
Ar    D
     13.5750000              1.0000000
Ar    D
      6.2510000              1.0000000
Ar    D
      4.7760000              1.0000000
Ar    D
      1.9170000              1.0000000
Ar    D
      0.7700000              1.0000000
Ar    D
      0.3090000              1.0000000
Ar    F
     29.7360000              1.0000000
Ar    F
     11.4600000              1.0000000
Ar    F
      4.4170000              1.0000000
Ar    F
      1.6680000              1.0000000
Ar    F
      0.8250000              1.0000000
Ar    F
      0.4080000              1.0000000
Ar    G
     23.9030000              1.0000000
Ar    G
      4.4270000              1.0000000
Ar    G
      1.5620000              1.0000000
Ar    G
      0.6650000              1.0000000
Ar    H
      4.5180000              1.0000000
Ar    H
      1.2640000              1.0000000
end
basis "Sc_cc-pwcv5z" 
#basis SET: (219s,132p,58d,5f,4g,3h,2i) -> [11s,10p,8d,5f,4g,3h,2i]
Sc    S
      1.194950E+08           6.485949E-08
      2.149920E+07           4.284789E-07
      4.807030E+06           2.485007E-06
      1.284400E+06           1.142200E-05
      3.965950E+05           4.446960E-05
      1.375750E+05           1.513206E-04
      5.236680E+04           4.641311E-04
      2.145490E+04           1.311834E-03
      9.316060E+03           3.474539E-03
      4.235400E+03           8.703081E-03
      1.997440E+03           2.066048E-02
      9.704300E+02           4.605121E-02
      4.832710E+02           9.414403E-02
      2.458060E+02           1.684787E-01
      1.273600E+02           2.427557E-01
      6.707880E+01           2.400019E-01
      3.583710E+01           1.296899E-01
      1.937130E+01           5.179276E-02
      1.055710E+01           8.932598E-02
      5.772490E+00           1.143741E-01
      3.145400E+00           5.378437E-02
      1.692490E+00           7.075763E-03
      8.886490E-01           4.599282E-04
      4.710930E-01          -4.575677E-05
      2.492860E-01           1.697886E-05
      9.998800E-02          -4.762361E-06
      4.636900E-02           1.150180E-05
Sc    S
      1.194950E+08          -3.759394E-08
      2.149920E+07          -2.483745E-07
      4.807030E+06          -1.440342E-06
      1.284400E+06          -6.621203E-06
      3.965950E+05          -2.577627E-05
      1.375750E+05          -8.773842E-05
      5.236680E+04          -2.691491E-04
      2.145490E+04          -7.615431E-04
      9.316060E+03          -2.020037E-03
      4.235400E+03          -5.080893E-03
      1.997440E+03          -1.215118E-02
      9.704300E+02          -2.752281E-02
      4.832710E+02          -5.797250E-02
      2.458060E+02          -1.101259E-01
      1.273600E+02          -1.781088E-01
      6.707880E+01          -2.198344E-01
      3.583710E+01          -1.529949E-01
      1.937130E+01           5.678122E-02
      1.055710E+01           3.530772E-01
      5.772490E+00           4.663403E-01
      3.145400E+00           2.199163E-01
      1.692490E+00           2.889190E-02
      8.886490E-01           7.763282E-04
      4.710930E-01          -8.474216E-04
      2.492860E-01          -1.233881E-04
      9.998800E-02          -1.245485E-05
      4.636900E-02           3.906270E-05
Sc    S
      1.194950E+08           7.277775E-09
      2.149920E+07           4.808602E-08
      4.807030E+06           2.788306E-07
      1.284400E+06           1.281931E-06
      3.965950E+05           4.990129E-06
      1.375750E+05           1.699051E-05
      5.236680E+04           5.212700E-05
      2.145490E+04           1.476347E-04
      9.316060E+03           3.921373E-04
      4.235400E+03           9.900468E-04
      1.997440E+03           2.383475E-03
      9.704300E+02           5.475682E-03
      4.832710E+02           1.183105E-02
      2.458060E+02           2.357475E-02
      1.273600E+02           4.140241E-02
      6.707880E+01           5.818726E-02
      3.583710E+01           4.596130E-02
      1.937130E+01          -2.847061E-02
      1.055710E+01          -1.817584E-01
      5.772490E+00          -3.512111E-01
      3.145400E+00          -2.324215E-01
      1.692490E+00           2.277188E-01
      8.886490E-01           5.757256E-01
      4.710930E-01           4.062223E-01
      2.492860E-01           8.525293E-02
      9.998800E-02           3.975498E-03
      4.636900E-02           1.954373E-03
Sc    S
      1.194950E+08          -1.751768E-09
      2.149920E+07          -1.157503E-08
      4.807030E+06          -6.711375E-08
      1.284400E+06          -3.085845E-07
      3.965950E+05          -1.201088E-06
      1.375750E+05          -4.090037E-06
      5.236680E+04          -1.254629E-05
      2.145490E+04          -3.554102E-05
      9.316060E+03          -9.438160E-05
      4.235400E+03          -2.383648E-04
      1.997440E+03          -5.737202E-04
      9.704300E+02          -1.318746E-03
      4.832710E+02          -2.849209E-03
      2.458060E+02          -5.684235E-03
      1.273600E+02          -9.991445E-03
      6.707880E+01          -1.409713E-02
      3.583710E+01          -1.116554E-02
      1.937130E+01           6.912254E-03
      1.055710E+01           4.558164E-02
      5.772490E+00           9.219903E-02
      3.145400E+00           6.237781E-02
      1.692490E+00          -7.194592E-02
      8.886490E-01          -1.917054E-01
      4.710930E-01          -2.379872E-01
      2.492860E-01          -1.129999E-01
      9.998800E-02           3.424078E-01
      4.636900E-02           6.263064E-01
Sc    S
      1.194950E+08           3.023751E-09
      2.149920E+07           2.009343E-08
      4.807030E+06           1.156659E-07
      1.284400E+06           5.364214E-07
      3.965950E+05           2.066097E-06
      1.375750E+05           7.126727E-06
      5.236680E+04           2.151877E-05
      2.145490E+04           6.213603E-05
      9.316060E+03           1.612839E-04
      4.235400E+03           4.183292E-04
      1.997440E+03           9.766017E-04
      9.704300E+02           2.324551E-03
      4.832710E+02           4.827024E-03
      2.458060E+02           1.009998E-02
      1.273600E+02           1.673441E-02
      6.707880E+01           2.581961E-02
      3.583710E+01           1.659005E-02
      1.937130E+01          -5.993844E-03
      1.055710E+01          -9.265210E-02
      5.772490E+00          -1.475540E-01
      3.145400E+00          -1.531648E-01
      1.692490E+00           2.278575E-01
      8.886490E-01           3.441065E-01
      4.710930E-01           7.482063E-01
      2.492860E-01          -7.586006E-01
      9.998800E-02          -1.492845E+00
      4.636900E-02           7.089234E-01
Sc    S
      1.194950E+08          -4.699340E-09
      2.149920E+07          -3.121033E-08
      4.807030E+06          -1.797873E-07
      1.284400E+06          -8.330969E-07
      3.965950E+05          -3.212062E-06
      1.375750E+05          -1.106577E-05
      5.236680E+04          -3.346404E-05
      2.145490E+04          -9.645132E-05
      9.316060E+03          -2.509128E-04
      4.235400E+03          -6.492071E-04
      1.997440E+03          -1.520210E-03
      9.704300E+02          -3.607668E-03
      4.832710E+02          -7.524161E-03
      2.458060E+02          -1.568944E-02
      1.273600E+02          -2.620054E-02
      6.707880E+01          -4.021946E-02
      3.583710E+01          -2.662630E-02
      1.937130E+01           1.032930E-02
      1.055710E+01           1.480576E-01
      5.772490E+00           2.660165E-01
      3.145400E+00           2.494336E-01
      1.692490E+00          -5.406974E-01
      8.886490E-01          -1.045556E+00
      4.710930E-01          -1.827419E-01
      2.492860E-01           2.749406E+00
      9.998800E-02          -1.329988E+00
      4.636900E-02          -1.651389E+00
Sc    S
      1.194950E+08          -5.382706E-09
      2.149920E+07          -3.464964E-08
      4.807030E+06          -2.077081E-07
      1.284400E+06          -9.176214E-07
      3.965950E+05          -3.749175E-06
      1.375750E+05          -1.202459E-05
      5.236680E+04          -3.967943E-05
      2.145490E+04          -1.028180E-04
      9.316060E+03          -3.033647E-04
      4.235400E+03          -6.770787E-04
      1.997440E+03          -1.876278E-03
      9.704300E+02          -3.671941E-03
      4.832710E+02          -9.536033E-03
      2.458060E+02          -1.530677E-02
      1.273600E+02          -3.545668E-02
      6.707880E+01          -3.294163E-02
      3.583710E+01          -5.839314E-02
      1.937130E+01           6.538662E-02
      1.055710E+01           6.318978E-02
      5.772490E+00           5.906996E-01
      3.145400E+00          -1.332877E-01
      1.692490E+00          -3.017064E-01
      8.886490E-01          -2.969901E+00
      4.710930E-01           4.814088E+00
      2.492860E-01          -8.352144E-01
      9.998800E-02          -4.401836E+00
      4.636900E-02           5.729989E+00
Sc    S
      1.194950E+08           8.181715E-09
      2.149920E+07           5.531212E-08
      4.807030E+06           3.110133E-07
      1.284400E+06           1.484627E-06
      3.965950E+05           5.517880E-06
      1.375750E+05           1.987947E-05
      5.236680E+04           5.688854E-05
      2.145490E+04           1.752133E-04
      9.316060E+03           4.210802E-04
      4.235400E+03           1.193679E-03
      1.997440E+03           2.520603E-03
      9.704300E+02           6.726648E-03
      4.832710E+02           1.230813E-02
      2.458060E+02           3.008461E-02
      1.273600E+02           4.143790E-02
      6.707880E+01           8.479558E-02
      3.583710E+01           2.415501E-02
      1.937130E+01           2.824664E-02
      1.055710E+01          -4.174669E-01
      5.772490E+00          -5.850258E-01
      3.145400E+00          -4.454488E-01
      1.692490E+00           4.127336E+00
      8.886490E-01          -2.305176E+00
      4.710930E-01          -5.710689E+00
      2.492860E-01           9.548572E+00
      9.998800E-02          -8.563715E+00
      4.636900E-02           6.185611E+00
Sc    S
      4.372000               1.0
Sc    S
      1.155600               1.0
Sc    S
      2.160600E-02           1.000000E+00
Sc    P
      5.507050E+04           2.000000E-06
      1.374170E+04           2.100000E-05
      4.365400E+03           1.300000E-04
      1.642260E+03           6.120000E-04
      6.940660E+02           2.397000E-03
      3.177420E+02           8.073000E-03
      1.538990E+02           2.372600E-02
      7.776650E+01           6.062000E-02
      4.067360E+01           1.298550E-01
      2.190610E+01           2.210980E-01
      1.207950E+01           2.932320E-01
      6.753490E+00           2.767500E-01
      3.763210E+00           1.477940E-01
      2.049730E+00           3.202400E-02
      1.086450E+00           2.890000E-04
      5.640870E-01          -1.467000E-03
      2.810200E-01          -7.670000E-04
      1.215440E-01          -5.800000E-05
      5.345900E-02          -1.100000E-05
Sc    P
      5.507050E+04          -1.000000E-06
      1.374170E+04          -7.000000E-06
      4.365400E+03          -4.200000E-05
      1.642260E+03          -2.010000E-04
      6.940660E+02          -7.890000E-04
      3.177420E+02          -2.669000E-03
      1.538990E+02          -7.922000E-03
      7.776650E+01          -2.059800E-02
      4.067360E+01          -4.537500E-02
      2.190610E+01          -7.963200E-02
      1.207950E+01          -1.106180E-01
      6.753490E+00          -1.082040E-01
      3.763210E+00          -9.200000E-04
      2.049730E+00           2.175660E-01
      1.086450E+00           3.921900E-01
      5.640870E-01           3.639770E-01
      2.810200E-01           1.499530E-01
      1.215440E-01           1.514700E-02
      5.345900E-02           5.690000E-04
Sc    P
      5.507050E+04          -1.000000E-06
      1.374170E+04          -7.000000E-06
      4.365400E+03          -4.300000E-05
      1.642260E+03          -2.170000E-04
      6.940660E+02          -8.070000E-04
      3.177420E+02          -2.887000E-03
      1.538990E+02          -8.161000E-03
      7.776650E+01          -2.271300E-02
      4.067360E+01          -4.739600E-02
      2.190610E+01          -8.968000E-02
      1.207950E+01          -1.077940E-01
      6.753490E+00          -1.913740E-01
      3.763210E+00           3.672400E-02
      2.049730E+00           1.201016E+00
      1.086450E+00           3.399550E-01
      5.640870E-01          -3.802289E+00
      2.810200E-01           4.448876E+00
      1.215440E-01          -2.513096E+00
      5.345900E-02           4.021440E-01
Sc    P
      1.374170E+04           2.000000E-06
      4.365400E+03           1.000000E-05
      1.642260E+03           4.900000E-05
      6.940660E+02           1.930000E-04
      3.177420E+02           6.490000E-04
      1.538990E+02           1.942000E-03
      7.776650E+01           5.022000E-03
      4.067360E+01           1.117500E-02
      2.190610E+01           1.947300E-02
      1.207950E+01           2.764700E-02
      6.753490E+00           2.646600E-02
      3.763210E+00          -1.460000E-03
      2.049730E+00          -6.499500E-02
      1.086450E+00          -1.156050E-01
      5.640870E-01          -1.382000E-01
      2.810200E-01           7.281000E-03
      1.215440E-01           3.621410E-01
      5.345900E-02           5.420120E-01
Sc    P
      1.374170E+04           2.000000E-06
      4.365400E+03           1.200000E-05
      1.642260E+03           5.900000E-05
      6.940660E+02           2.320000E-04
      3.177420E+02           7.880000E-04
      1.538990E+02           2.330000E-03
      7.776650E+01           6.094000E-03
      4.067360E+01           1.337600E-02
      2.190610E+01           2.370100E-02
      1.207950E+01           3.278900E-02
      6.753490E+00           3.290900E-02
      3.763210E+00          -2.231000E-03
      2.049730E+00          -7.361100E-02
      1.086450E+00          -1.369540E-01
      5.640870E-01          -1.677060E-01
      2.810200E-01          -5.268600E-02
      1.215440E-01           5.744330E-01
      5.345900E-02           5.236500E-01
Sc    P
      1.374170E+04           4.000000E-06
      4.365400E+03           2.700000E-05
      1.642260E+03           1.150000E-04
      6.940660E+02           4.920000E-04
      3.177420E+02           1.527000E-03
      1.538990E+02           4.936000E-03
      7.776650E+01           1.174700E-02
      4.067360E+01           2.860300E-02
      2.190610E+01           4.436000E-02
      1.207950E+01           7.619200E-02
      6.753490E+00           5.760600E-02
      3.763210E+00           2.398700E-02
      2.049730E+00          -2.155680E-01
      1.086450E+00          -3.753780E-01
      5.640870E-01          -4.369340E-01
      2.810200E-01           1.222472E+00
      1.215440E-01           4.294290E-01
      5.345900E-02          -9.345890E-01
Sc    P
      1.374170E+04          -6.000000E-06
      4.365400E+03          -2.400000E-05
      1.642260E+03          -1.730000E-04
      6.940660E+02          -4.550000E-04
      3.177420E+02          -2.275000E-03
      1.538990E+02          -4.543000E-03
      7.776650E+01          -1.774200E-02
      4.067360E+01          -2.427100E-02
      2.190610E+01          -7.561100E-02
      1.207950E+01          -4.487900E-02
      6.753490E+00          -1.899630E-01
      3.763210E+00           1.273510E-01
      2.049730E+00           1.161170E-01
      1.086450E+00           1.348698E+00
      5.640870E-01          -1.512311E+00
      2.810200E-01          -9.436110E-01
      1.215440E-01           2.307450E+00
      5.345900E-02          -1.217237E+00
Sc    P
      5.094800               1.0
Sc    P
      1.234900               1.0
Sc    P
      2.321500E-02           1.000000E+00
Sc    D
      2.056060E+02           2.380000E-04
      6.102270E+01           2.167000E-03
      2.336300E+01           1.084900E-02
      9.963460E+00           3.588100E-02
      4.489450E+00           9.349100E-02
      2.117950E+00           1.810760E-01
      1.012018E+00           2.575930E-01
      4.810450E-01           2.918550E-01
      2.264880E-01           2.690060E-01
      1.050570E-01           1.881740E-01
      4.768200E-02           7.324300E-02
Sc    D
      2.056060E+02          -2.430000E-04
      6.102270E+01          -2.214000E-03
      2.336300E+01          -1.110700E-02
      9.963460E+00          -3.697000E-02
      4.489450E+00          -9.781500E-02
      2.117950E+00          -1.845670E-01
      1.012018E+00          -2.472790E-01
      4.810450E-01          -2.053770E-01
      2.264880E-01           1.036720E-01
      1.050570E-01           4.618980E-01
      4.768200E-02           3.834000E-01
Sc    D
      2.056060E+02          -3.220000E-04
      6.102270E+01          -2.876000E-03
      2.336300E+01          -1.481800E-02
      9.963460E+00          -4.843800E-02
      4.489450E+00          -1.307580E-01
      2.117950E+00          -2.428420E-01
      1.012018E+00          -2.844310E-01
      4.810450E-01           1.037260E-01
      2.264880E-01           7.430280E-01
      1.050570E-01           9.533700E-02
      4.768200E-02          -6.651170E-01
Sc    D
      2.056060E+02          -4.530000E-04
      6.102270E+01          -3.796000E-03
      2.336300E+01          -2.077300E-02
      9.963460E+00          -6.544600E-02
      4.489450E+00          -1.943420E-01
      2.117950E+00          -3.147140E-01
      1.012018E+00          -2.516280E-01
      4.810450E-01           1.085315E+00
      2.264880E-01          -1.291800E-02
      1.050570E-01          -1.243783E+00
      4.768200E-02           7.723990E-01
Sc    D
      2.056060E+02          -5.240000E-04
      6.102270E+01          -6.793000E-03
      2.336300E+01          -2.631900E-02
      9.963460E+00          -1.219320E-01
      4.489450E+00          -2.498200E-01
      2.117950E+00          -6.181690E-01
      1.012018E+00           9.989180E-01
      4.810450E-01           5.962450E-01
      2.264880E-01          -2.138243E+00
      1.050570E-01           1.973082E+00
      4.768200E-02          -6.527370E-01
Sc    D
      2.661300               1.0
Sc    D
      1.428000               1.0
Sc    D
      2.066000E-02           1.000000E+00
Sc    F
      3.6333                 1.0
Sc    F
      1.5293                 1.0
Sc    F
      0.6437                 1.0
Sc    F
      0.2709                 1.0
Sc    F
      8.200000E-02           1.000000E+00
Sc    G
      3.1815                 1.0
Sc    G
      1.3857                 1.0
Sc    G
      0.6036                 1.0
Sc    G
      1.717000E-01           1.000000E+00
Sc    H
      2.8788                 1.0
Sc    H
      1.1532                 1.0
Sc    H
      3.308000E-01           1.000000E+00
Sc    I
      2.3601                 1.0
Sc    I
      5.720000E-01           1.000000E+00
end
basis "Ti_cc-pwcv5z" 
#basis SET: (219s,134p,58d,5f,4g,3h,2i) -> [11s,10p,8d,5f,4g,3h,2i]
Ti    S
      1.22647E+08            7.095361E-08
      2.19562E+07            4.715986E-07
      4.90233E+06            2.73436E-06
      1.31060E+06            1.254715E-05
 405228.0000000              4.87474E-05
 140757.0000000              0.0001656213
  53625.1000000              0.000507645
  21976.2000000              0.001435019
   9539.6000000              0.003802412
   4334.3700000              0.009523779
   2042.8900000              0.02256875
    992.3080000              0.05005125
    494.4460000              0.1012414
    251.9070000              0.1777644
    130.9050000              0.2479159
     69.2368000              0.2326747
     37.1847000              0.1178873
     20.2157000              0.05105946
     11.0765000              0.0930772
      6.0786700              0.1086846
      3.3127700              0.04564404
      1.7725000              0.005168047
      0.9173780              0.0003233996
      0.4692830             -4.994148E-05
      0.2192670              1.32042E-05
      0.1058110             -2.323768E-07
      0.0484430              1.693377E-05
Ti    S
      1.22647E+08           -4.075872E-08
      2.19562E+07           -2.709226E-07
      4.90233E+06           -1.570715E-06
      1.31060E+06           -7.208331E-06
 405228.0000000             -2.800379E-05
 140757.0000000             -9.517165E-05
  53625.1000000             -0.000291772
  21976.2000000             -0.0008256845
   9539.6000000             -0.002191592
   4334.3700000             -0.005513608
   2042.8900000             -0.01317331
    992.3080000             -0.02972775
    494.4460000             -0.06213528
    251.9070000             -0.1164183
    130.9050000             -0.1841156
     69.2368000             -0.2185094
     37.1847000             -0.1380868
     20.2157000              0.08418941
     11.0765000              0.3811652
      6.0786700              0.4556996
      3.3127700              0.1917966
      1.7725000              0.02151962
      0.9173780              0.0001959175
      0.4692830             -0.0008089156
      0.2192670             -5.422205E-05
      0.1058110              1.652837E-05
      0.0484430              6.140255E-05
Ti    S
      1.22647E+08            8.126533E-09
      2.19562E+07            5.402507E-08
      4.90233E+06            3.131603E-07
      1.31060E+06            1.437508E-06
 405228.0000000              5.583328E-06
 140757.0000000              1.898417E-05
  53625.1000000              5.819596E-05
  21976.2000000              0.0001649019
   9539.6000000              0.0004381911
   4334.3700000              0.001107231
   2042.8900000              0.002663108
    992.3080000              0.006103966
    494.4460000              0.01310044
    251.9070000              0.02583473
    130.9050000              0.04449334
     69.2368000              0.06033054
     37.1847000              0.04260364
     20.2157000             -0.04039406
     11.0765000             -0.2075689
      6.0786700             -0.3654648
      3.3127700             -0.1936936
      1.7725000              0.2988342
      0.9173780              0.6067712
      0.4692830              0.3552150
      0.2192670              0.04285188
      0.1058110             -0.000483546
      0.0484430              0.002744033
Ti    S
      1.22647E+08           -1.917924E-09
      2.19562E+07           -1.275194E-08
      4.90233E+06           -7.390566E-08
      1.31060E+06           -3.393166E-07
 405228.0000000             -1.317608E-06
 140757.0000000             -4.481371E-06
  53625.1000000             -1.373284E-05
  21976.2000000             -3.892998E-05
   9539.6000000             -0.0001033977
   4334.3700000             -0.0002614367
   2042.8900000             -0.0006284415
    992.3080000             -0.001441853
    494.4460000             -0.003093015
    251.9070000             -0.006111397
    130.9050000             -0.01052833
     69.2368000             -0.01435524
     37.1847000             -0.01013538
     20.2157000              0.009606909
     11.0765000              0.05144379
      6.0786700              0.09453862
      3.3127700              0.05074349
      1.7725000             -0.09206241
      0.9173780             -0.2088530
      0.4692830             -0.2397326
      0.2192670             -0.06020934
      0.1058110              0.3785445
      0.0484430              0.6064633
Ti    S
      1.22647E+08            3.549931E-09
      2.19562E+07            2.360021E-08
      4.90233E+06            1.36798E-07
      1.31060E+06            6.279605E-07
 405228.0000000              2.438963E-06
 140757.0000000              8.293127E-06
  53625.1000000              2.542185E-05
  21976.2000000              7.203924E-05
   9539.6000000              0.0001914264
   4334.3700000              0.0004837789
   2042.8900000              0.001163735
    992.3080000              0.002668623
    494.4460000              0.005731308
    251.9070000              0.0113213
    130.9050000              0.01955315
     69.2368000              0.02667333
     37.1847000              0.01900155
     20.2157000             -0.01799341
     11.0765000             -0.09813293
      6.0786700             -0.1886658
      3.3127700             -0.09633798
      1.7725000              0.2275436
      0.9173780              0.5716640
      0.4692830              0.3842511
      0.2192670             -0.9402894
      0.1058110             -1.1052390
      0.0484430              0.7263152
Ti    S
      1.22647E+08           -5.483292E-09
      2.19562E+07           -3.632168E-08
      4.90233E+06           -2.115133E-07
      1.31060E+06           -9.655732E-07
 405228.0000000             -3.775667E-06
 140757.0000000             -1.273208E-05
  53625.1000000             -3.942849E-05
  21976.2000000             -0.0001103639
   9539.6000000             -0.0002976
   4334.3700000             -0.0007394247
   2042.8900000             -0.001814232
    992.3080000             -0.004069364
    494.4460000             -0.008975097
    251.9070000             -0.01720642
    130.9050000             -0.03100851
     69.2368000             -0.03994524
     37.1847000             -0.03317775
     20.2157000              0.0350855
     11.0765000              0.1472194
      6.0786700              0.3566400
      3.3127700              0.1090647
      1.7725000             -0.5756267
      0.9173780             -1.4038450
      0.4692830              1.2015530
      0.2192670              2.1637410
      0.1058110             -2.2383990
      0.0484430             -0.8108372
Ti    S
      1.22647E+08           -6.513149E-09
      2.19562E+07           -4.297168E-08
      4.90233E+06           -2.514831E-07
      1.31060E+06           -1.141345E-06
 405228.0000000             -4.494753E-06
 140757.0000000             -1.502517E-05
  53625.1000000             -4.703008E-05
  21976.2000000             -0.0001299433
   9539.6000000             -0.0003558767
   4334.3700000             -0.0008684153
   2042.8900000             -0.00217575
    992.3080000             -0.004767576
    494.4460000             -0.01081297
    251.9070000             -0.02009361
    130.9050000             -0.03788017
     69.2368000             -0.04603327
     37.1847000             -0.04444843
     20.2157000              0.04721242
     11.0765000              0.1834186
      6.0786700              0.5520638
      3.3127700             -0.04585806
      1.7725000             -1.2472690
      0.9173780             -1.4783690
      0.4692830              4.8207520
      0.2192670             -3.0078810
      0.1058110             -1.8911150
      0.0484430              4.3764350
Ti    S
      1.22647E+08           -8.931375E-09
      2.19562E+07           -6.25768E-08
      4.90233E+06           -3.389705E-07
      1.31060E+06           -1.686299E-06
 405228.0000000             -5.932742E-06
 140757.0000000             -2.274958E-05
  53625.1000000             -6.006257E-05
  21976.2000000             -0.0002033896
   9539.6000000             -0.0004358911
   4334.3700000             -0.001410248
   2042.8900000             -0.00254425
    992.3080000             -0.008077296
    494.4460000             -0.01186207
    251.9070000             -0.03676473
    130.9050000             -0.03464619
     69.2368000             -0.1101500
     37.1847000              0.02928617
     20.2157000             -0.1149519
     11.0765000              0.6808841
      6.0786700              0.3239576
      3.3127700              0.5267715
      1.7725000             -5.3925940
      0.9173780              6.7665820
      0.4692830             -1.1926540
      0.2192670             -5.8409860
      0.1058110              8.5792050
      0.0484430             -6.4382430
Ti    S
      4.2382                 1.0
Ti    S
      1.2505                 1.0
Ti    S
      0.0225350              1.0000000
Ti    P
  59284.9000000              0.0000030
  14323.6000000              0.0000230
   4537.2200000              0.0001440
   1726.5400000              0.0006600
    741.0750000              0.0025090
    343.8070000              0.0082940
    167.8840000              0.0242470
     85.0394000              0.0622310
     44.3829000              0.1342200
     23.7928000              0.2290500
     13.0536000              0.3003980
      7.2687200              0.2722610
      4.0380500              0.1350820
      2.1929400              0.0260290
      1.1616200             -0.0003040
      0.6032500             -0.0014340
      0.3001740             -0.0006540
      0.1302640             -0.0000400
      0.0572980             -0.0000100
Ti    P
  59284.9000000             -0.0000010
  14323.6000000             -0.0000080
   4537.2200000             -0.0000480
   1726.5400000             -0.0002210
    741.0750000             -0.0008440
    343.8070000             -0.0028020
    167.8840000             -0.0082780
     85.0394000             -0.0216350
     44.3829000             -0.0480470
     23.7928000             -0.0846650
     13.0536000             -0.1167480
      7.2687200             -0.1071290
      4.0380500              0.0190880
      2.1929400              0.2461940
      1.1616200              0.4013780
      0.6032500              0.3415650
      0.3001740              0.1268890
      0.1302640              0.0113200
      0.0572980              0.0006740
Ti    P
  59284.9000000              0.0000010
  14323.6000000              0.0000040
   4537.2200000              0.0000300
   1726.5400000              0.0001260
    741.0750000              0.0005190
    343.8070000              0.0016020
    167.8840000              0.0050910
     85.0394000              0.0123720
     44.3829000              0.0298140
     23.7928000              0.0477590
     13.0536000              0.0782150
      7.2687200              0.0582600
      4.0380500              0.0051280
      2.1929400             -0.2393170
      1.1616200             -0.3989020
      0.6032500             -0.3113740
      0.3001740              1.2502300
      0.1302640              0.2790480
      0.0572980             -0.8988870
Ti    P
  59284.9000000             -0.0000010
  14323.6000000             -0.0000070
   4537.2200000             -0.0000300
   1726.5400000             -0.0001900
    741.0750000             -0.0005300
    343.8070000             -0.0023950
    167.8840000             -0.0052020
     85.0394000             -0.0185070
     44.3829000             -0.0291190
     23.7928000             -0.0778450
     13.0536000             -0.0607780
      7.2687200             -0.1826750
      4.0380500              0.1166390
      2.1929400              0.2993610
      1.1616200              1.2320890
      0.6032500             -1.8942480
      0.3001740             -0.3673190
      0.1302640              2.0107700
      0.0572980             -1.1868670
Ti    P
  59284.9000000             -0.0000010
  14323.6000000             -0.0000080
   4537.2200000             -0.0000510
   1726.5400000             -0.0002160
    741.0750000             -0.0008980
    343.8070000             -0.0027390
    167.8840000             -0.0088510
     85.0394000             -0.0213880
     44.3829000             -0.0525740
     23.7928000             -0.0825050
     13.0536000             -0.1344340
      7.2687200             -0.1828100
      4.0380500              0.0962330
      2.1929400              1.4455690
      1.1616200             -0.5030230
      0.6032500             -2.9722360
      0.3001740              4.2730430
      0.1302640             -2.8303710
      0.0572980              0.7500080
Ti    P
  14323.6000000              0.0000020
   4537.2200000              0.0000120
   1726.5400000              0.0000530
    741.0750000              0.0002030
    343.8070000              0.0006700
    167.8840000              0.0019960
     85.0394000              0.0051890
     44.3829000              0.0116400
     23.7928000              0.0203750
     13.0536000              0.0287140
      7.2687200              0.0257260
      4.0380500             -0.0066880
      2.1929400             -0.0719850
      1.1616200             -0.1184150
      0.6032500             -0.1300000
      0.3001740              0.0307110
      0.1302640              0.3791430
      0.0572980              0.5276150
Ti    P
  14323.6000000              0.0000020
   4537.2200000              0.0000140
   1726.5400000              0.0000660
    741.0750000              0.0002520
    343.8070000              0.0008330
    167.8840000              0.0024740
     85.0394000              0.0064430
     44.3829000              0.0144110
     23.7928000              0.0253150
     13.0536000              0.0354780
      7.2687200              0.0321850
      4.0380500             -0.0077320
      2.1929400             -0.0869160
      1.1616200             -0.1425800
      0.6032500             -0.1704350
      0.3001740              0.0067360
      0.1302640              0.5966850
      0.0572980              0.4753380
Ti    P
      5.7716                 1.0
Ti    P
      1.6512                 1.0
Ti    P
      0.0249520              1.0000000
Ti    D
    249.3560000              0.0002310
     74.7483000              0.0020800
     28.9399000              0.0105420
     12.5279000              0.0353670
      5.7343100              0.0926070
      2.7453100              0.1831320
      1.3321200              0.2650160
      0.6410880              0.3000210
      0.3027810              0.2673900
      0.1390530              0.1713110
      0.0620290              0.0589290
Ti    D
    249.3560000             -0.0002340
     74.7483000             -0.0021150
     28.9399000             -0.0107420
     12.5279000             -0.0363340
      5.7343100             -0.0971000
      2.7453100             -0.1877290
      1.3321200             -0.2464470
      0.6410880             -0.1829140
      0.3027810              0.1364430
      0.1390530              0.4735860
      0.0620290              0.3669010
Ti    D
    249.3560000             -0.0003770
     74.7483000             -0.0033820
     28.9399000             -0.0174880
     12.5279000             -0.0595610
      5.7343100             -0.1639910
      2.7453100             -0.2958230
      1.3321200             -0.2674980
      0.6410880              0.2425250
      0.3027810              0.7002880
      0.1390530             -0.0562280
      0.0620290             -0.5893560
Ti    D
    249.3560000             -0.0004520
     74.7483000             -0.0038430
     28.9399000             -0.0209800
     12.5279000             -0.0691410
      5.7343100             -0.2118930
      2.7453100             -0.3288390
      1.3321200             -0.0835100
      0.6410880              1.0396670
      0.3027810             -0.2452340
      0.1390530             -1.0656140
      0.0620290              0.7625840
Ti    D
    249.3560000             -0.0005630
     74.7483000             -0.0065570
     28.9399000             -0.0280350
     12.5279000             -0.1243040
      5.7343100             -0.2980530
      2.7453100             -0.5085580
      1.3321200              1.0461210
      0.6410880              0.3615210
      0.3027810             -1.8823220
      0.1390530              1.7474600
      0.0620290             -0.4512010
Ti    D
      3.4503                 1.0
Ti    D
      1.9447                 1.0
Ti    D
      0.02643956             1.0000000
Ti    F
      5.1180                 1.0
Ti    F
      2.2074                 1.0
Ti    F
      0.9521                 1.0
Ti    F
      0.4106                 1.0
Ti    F
      0.1295000              1.0000000
Ti    G
      4.0075                 1.0
Ti    G
      1.8242                 1.0
Ti    G
      0.8303                 1.0
Ti    G
      0.2569000              1.0000000
Ti    H
      3.6212                 1.0
Ti    H
      1.5512                 1.0
Ti    H
      0.5103000              1.0000000
Ti    I
      3.1821                 1.0
Ti    I
      1.0105000              1.0000000
end
basis "V_cc-pwcv5z" 
#basis SET: (219s,134p,58d,5f,4g,3h,2i) -> [11s,10p,8d,5f,4g,3h,2i]
V    S
      1.28349E+08            7.559082E-08
      2.29044E+07            5.044461E-07
      5.10777E+06            2.926152E-06
      1.36528E+06            1.342415E-05
 422228.0000000              5.213143E-05
 146685.0000000              0.0001771205
  55872.3000000              0.0005432404
  22881.3000000              0.001537734
   9920.4500000              0.004081932
   4499.9200000              0.01024296
   2116.7500000              0.02429719
   1026.0600000              0.05382741
    510.2570000              0.1083046
    259.5320000              0.1877510
    134.7090000              0.2548794
     71.2104000              0.2275392
     38.2496000              0.1075294
     20.8102000              0.05099967
     11.4158000              0.09479662
      6.2730200              0.09804244
      3.4217700              0.03562689
      1.8304400              0.003443702
      0.9452350              0.0002031152
      0.4759280             -4.464829E-05
      0.1863810              6.908941E-06
      0.1067680              7.077376E-06
      0.0499790              1.99325E-05
V    S
      1.28349E+08           -4.233311E-08
      2.29044E+07           -2.825169E-07
      5.10777E+06           -1.638725E-06
      1.36528E+06           -7.518519E-06
 422228.0000000             -2.919695E-05
 146685.0000000             -9.922464E-05
  55872.3000000             -0.0003044176
  22881.3000000             -0.0008626493
   9920.4500000             -0.002294364
   4499.9200000             -0.005784361
   2116.7500000             -0.01384521
   1026.0600000             -0.03125257
    510.2570000             -0.06517593
    259.5320000             -0.1212452
    134.7090000             -0.1887922
     71.2104000             -0.2160891
     38.2496000             -0.1207730
     20.8102000              0.1189207
     11.4158000              0.4145044
      6.2730200              0.4365960
      3.4217700              0.1587686
      1.8304400              0.01503861
      0.9452350             -0.000313797
      0.4759280             -0.0007231998
      0.1863810             -5.19245E-05
      0.1067680              6.46642E-05
      0.0499790              7.544843E-05
V    S
      1.28349E+08            8.764631E-09
      2.29044E+07            5.850453E-08
      5.10777E+06            3.392632E-07
      1.36528E+06            1.557075E-06
 422228.0000000              6.044595E-06
 146685.0000000              2.055506E-05
  55872.3000000              6.304706E-05
  22881.3000000              0.0001789327
   9920.4500000              0.0004763534
   4499.9200000              0.001206681
   2116.7500000              0.00290738
   1026.0600000              0.006671537
    510.2570000              0.01429445
    259.5320000              0.02805248
    134.7090000              0.04764851
     71.2104000              0.0623929
     38.2496000              0.0381530
     20.8102000             -0.05632949
     11.4158000             -0.2394515
      6.2730200             -0.3730611
      3.4217700             -0.1378359
      1.8304400              0.3654197
      0.9452350              0.6074602
      0.4759280              0.3015966
      0.1863810              0.02613175
      0.1067680             -0.004555459
      0.0499790              0.003357216
V    S
      1.28349E+08           -2.028614E-09
      2.29044E+07           -1.354229E-08
      5.10777E+06           -7.852223E-08
      1.36528E+06           -3.604305E-07
 422228.0000000             -1.398979E-06
 146685.0000000             -4.758252E-06
  55872.3000000             -1.459127E-05
  22881.3000000             -4.142355E-05
   9920.4500000             -0.0001102431
   4499.9200000             -0.0002793901
   2116.7500000             -0.0006729388
   1026.0600000             -0.001545358
    510.2570000             -0.003310669
    259.5320000             -0.006508065
    134.7090000             -0.01106511
     71.2104000             -0.01456548
     38.2496000             -0.008920511
     20.8102000              0.01323718
     11.4158000              0.05853341
      6.2730200              0.09535172
      3.4217700              0.03433249
      1.8304400             -0.1099505
      0.9452350             -0.2173991
      0.4759280             -0.2237757
      0.1863810             -0.01020157
      0.1067680              0.4012464
      0.0499790              0.5727820
V    S
      1.28349E+08           -3.919381E-09
      2.29044E+07           -2.603331E-08
      5.10777E+06           -1.519192E-07
      1.36528E+06           -6.920024E-07
 422228.0000000             -2.711224E-06
 146685.0000000             -9.115965E-06
  55872.3000000             -2.835051E-05
  22881.3000000             -7.912836E-05
   9920.4500000             -0.0002148784
   4499.9200000             -0.000531965
   2116.7500000             -0.001316357
   1026.0600000             -0.002931813
    510.2570000             -0.006511894
    259.5320000             -0.01226756
    134.7090000             -0.02210677
     71.2104000             -0.02664568
     38.2496000             -0.02085328
     20.8102000              0.03285405
     11.4158000              0.1037039
      6.2730200              0.2240209
      3.4217700              0.02243918
      1.8304400             -0.2269588
      0.9452350             -0.7256302
      0.4759280             -0.02136386
      0.1863810              1.2267190
      0.1067680              0.5355637
      0.0499790             -0.6820891
V    S
      1.28349E+08           -6.06916E-09
      2.29044E+07           -4.016055E-08
      5.10777E+06           -2.354898E-07
      1.36528E+06           -1.066503E-06
 422228.0000000             -4.207968E-06
 146685.0000000             -1.402663E-05
  55872.3000000             -4.408568E-05
  22881.3000000             -0.0001214852
   9920.4500000             -0.0003349349
   4499.9200000             -0.0008147638
   2116.7500000             -0.002057575
   1026.0600000             -0.004479489
    510.2570000             -0.0102264
    259.5320000             -0.01867514
    134.7090000             -0.03518784
     71.2104000             -0.03981114
     38.2496000             -0.03673509
     20.8102000              0.05969102
     11.4158000              0.1588361
      6.2730200              0.4222280
      3.4217700             -0.03835624
      1.8304400             -0.6567155
      0.9452350             -1.4574620
      0.4759280              2.0698680
      0.1863810              1.6542810
      0.1067680             -2.8048020
      0.0499790             -0.1989010
V    S
      1.28349E+08           -7.37951E-09
      2.29044E+07           -4.984396E-08
      5.10777E+06           -2.846693E-07
      1.36528E+06           -1.330646E-06
 422228.0000000             -5.051098E-06
 146685.0000000             -1.765499E-05
  55872.3000000             -5.23595E-05
  22881.3000000             -0.0001547542
   9920.4500000             -0.0003926928
   4499.9200000             -0.001052087
   2116.7500000             -0.002379149
   1026.0600000             -0.005879989
    510.2570000             -0.01160458
    259.5320000             -0.02534133
    134.7090000             -0.03801562
     71.2104000             -0.06218123
     38.2496000             -0.01933881
     20.8102000              0.01617214
     11.4158000              0.3477025
      6.2730200              0.4361287
      3.4217700              0.003649234
      1.8304400             -2.0758320
      0.9452350              0.2889184
      0.4759280              3.5216890
      0.1863810             -4.7346100
      0.1067680              1.2067910
      0.0499790              2.9598040
V    S
      1.28349E+08           -9.582444E-09
      2.29044E+07           -6.716611E-08
      5.10777E+06           -3.657711E-07
      1.36528E+06           -1.808765E-06
 422228.0000000             -6.406617E-06
 146685.0000000             -2.43535E-05
  55872.3000000             -6.507095E-05
  22881.3000000             -0.0002176891
   9920.4500000             -0.0004756448
   4499.9200000             -0.001511976
   2116.7500000             -0.002801195
   1026.0600000             -0.008666197
    510.2570000             -0.01312669
    259.5320000             -0.03917805
    134.7090000             -0.03801547
     71.2104000             -0.1132696
     38.2496000              0.03595954
     20.8102000             -0.09739948
     11.4158000              0.7821952
      6.2730200              0.3538718
      3.4217700             -0.1355217
      1.8304400             -5.1073220
      0.9452350              8.6829500
      0.4759280             -5.2129400
      0.1863810             -2.3726520
      0.1067680              7.1624990
      0.0499790             -6.2293730
V    S
      4.6695                 1.0
V    S
      1.5040                 1.0
V    S
      0.0235010              1.0000000
V    P
  67602.1000000              0.0000020
  16330.1000000              0.0000220
   5149.5900000              0.0001380
   1950.0300000              0.0006370
    834.4630000              0.0024300
    386.9900000              0.0080290
    189.3720000              0.0234220
     96.2845000              0.0600350
     50.4640000              0.1300820
     27.1483000              0.2246520
     14.9256000              0.2994840
      8.3161700              0.2766330
      4.6208600              0.1402270
      2.5113800              0.0278520
      1.3309100             -0.0001740
      0.6904150             -0.0014710
      0.3432070             -0.0006800
      0.1458960             -0.0000420
      0.0629710             -0.0000080
V    P
  67602.1000000             -0.0000010
  16330.1000000             -0.0000080
   5149.5900000             -0.0000470
   1950.0300000             -0.0002170
    834.4630000             -0.0008310
    386.9900000             -0.0027580
    189.3720000             -0.0081310
     96.2845000             -0.0212250
     50.4640000             -0.0473580
     27.1483000             -0.0845440
     14.9256000             -0.1184370
      8.3161700             -0.1107500
      4.6208600              0.0159240
      2.5113800              0.2455750
      1.3309100              0.4018980
      0.6904150              0.3419350
      0.3432070              0.1291400
      0.1458960              0.0117690
      0.0629710              0.0003810
V    P
  67602.1000000              0.0000010
  16330.1000000              0.0000040
   5149.5900000              0.0000300
   1950.0300000              0.0001270
    834.4630000              0.0005290
    386.9900000              0.0016100
    189.3720000              0.0051810
     96.2845000              0.0123810
     50.4640000              0.0304960
     27.1483000              0.0485520
     14.9256000              0.0824320
      8.3161700              0.0603700
      4.6208600              0.0101220
      2.5113800             -0.2605390
      1.3309100             -0.3924090
      0.6904150             -0.2954210
      0.3432070              1.2391450
      0.1458960              0.2525760
      0.0629710             -0.8792700
V    P
  67602.1000000             -0.0000010
  16330.1000000             -0.0000070
   5149.5900000             -0.0000320
   1950.0300000             -0.0001930
    834.4630000             -0.0005690
    386.9900000             -0.0024460
    189.3720000             -0.0055640
     96.2845000             -0.0188860
     50.4640000             -0.0315930
     27.1483000             -0.0799160
     14.9256000             -0.0708350
      8.3161700             -0.1822610
      4.6208600              0.1077550
      2.5113800              0.3921670
      1.3309100              1.0894750
      0.6904150             -1.8328780
      0.3432070             -0.2943300
      0.1458960              1.9029040
      0.0629710             -1.1520610
V    P
  67602.1000000             -0.0000010
  16330.1000000             -0.0000070
   5149.5900000             -0.0000540
   1950.0300000             -0.0002100
    834.4630000             -0.0009630
    386.9900000             -0.0026780
    189.3720000             -0.0094690
     96.2845000             -0.0207670
     50.4640000             -0.0568020
     27.1483000             -0.0799800
     14.9256000             -0.1601810
      8.3161700             -0.1677710
      4.6208600              0.0980800
      2.5113800              1.5568150
      1.3309100             -0.8027370
      0.6904150             -2.6228150
      0.3432070              4.0233660
      0.1458960             -2.7546210
      0.0629710              0.8325630
V    P
  16330.1000000              0.0000020
   5149.5900000              0.0000110
   1950.0300000              0.0000520
    834.4630000              0.0002010
    386.9900000              0.0006630
    189.3720000              0.0019730
     96.2845000              0.0051160
     50.4640000              0.0115520
     27.1483000              0.0204550
     14.9256000              0.0293490
      8.3161700              0.0266940
      4.6208600             -0.0060590
      2.5113800             -0.0735450
      1.3309100             -0.1194360
      0.6904150             -0.1247830
      0.3432070              0.0366050
      0.1458960              0.3728900
      0.0629710              0.5246490
V    P
  16330.1000000              0.0000020
   5149.5900000              0.0000140
   1950.0300000              0.0000650
    834.4630000              0.0002490
    386.9900000              0.0008230
    189.3720000              0.0024380
     96.2845000              0.0063420
     50.4640000              0.0142490
     27.1483000              0.0253700
     14.9256000              0.0361120
      8.3161700              0.0334620
      4.6208600             -0.0068260
      2.5113800             -0.0874620
      1.3309100             -0.1451170
      0.6904150             -0.1669600
      0.3432070              0.0161970
      0.1458960              0.5946810
      0.0629710              0.4728630
V    P
      6.7089                 1.0
V    P
      1.9407                 1.0
V    P
      0.0269220              1.0000000
V    D
    298.4240000              0.0002180
     88.3665000              0.0020340
     34.0559000              0.0105740
     14.7799000              0.0359550
      6.8290500              0.0935000
      3.3110900              0.1840370
      1.6286100              0.2662670
      0.7933930              0.2995840
      0.3788260              0.2628030
      0.1758620              0.1654210
      0.0788580              0.0580390
V    D
    298.4240000             -0.0002300
     88.3665000             -0.0021540
     34.0559000             -0.0112340
     14.7799000             -0.0385420
      6.8290500             -0.1027740
      3.3110900             -0.1981620
      1.6286100             -0.2518290
      0.7933930             -0.1612270
      0.3788260              0.1595380
      0.1758620              0.4593380
      0.0788580              0.3583680
V    D
    298.4240000             -0.0003590
     88.3665000             -0.0033510
     34.0559000             -0.0177090
     14.7799000             -0.0614840
      6.8290500             -0.1696420
      3.3110900             -0.3066070
      1.6286100             -0.2499830
      0.7933930              0.2824440
      0.3788260              0.6731490
      0.1758620             -0.0785380
      0.0788580             -0.5838200
V    D
    298.4240000             -0.0004750
     88.3665000             -0.0042910
     34.0559000             -0.0235210
     14.7799000             -0.0810930
      6.8290500             -0.2481480
      3.3110900             -0.3730460
      1.6286100              0.0738110
      0.7933930              1.0214190
      0.3788260             -0.4108180
      0.1758620             -0.9139110
      0.0788580              0.7099380
V    D
    298.4240000             -0.0005620
     88.3665000             -0.0062300
     34.0559000             -0.0293400
     14.7799000             -0.1257620
      6.8290500             -0.3358610
      3.3110900             -0.4112650
      1.6286100              1.1230240
      0.7933930              0.0942510
      0.3788260             -1.6935340
      0.1758620              1.6913710
      0.0788580             -0.3887260
V    D
      4.2946                 1.0
V    D
      2.5067                 1.0
V    D
      0.0333820              1.0000000
V    F
      6.7020                 1.0
V    F
      2.9137                 1.0
V    F
      1.2667                 1.0
V    F
      0.5507                 1.0
V    F
      0.1789000              1.0000000
V    G
      4.8016                 1.0
V    G
      2.2620                 1.0
V    G
      1.0656                 1.0
V    G
      0.3560000              1.0000000
V    H
      4.3991                 1.0
V    H
      1.9578                 1.0
V    H
      0.7002000              1.0000000
V    I
      4.2111                 1.0
V    I
      1.5757000              1.0000000
end
basis "Cr_cc-pwcv5z" 
#basis SET: (219s,134p,58d,5f,4g,3h,2i) -> [11s,10p,8d,5f,4g,3h,2i]
Cr    S
      1.35540E+08            7.860909E-08
      2.42404E+07            5.230504E-07
      5.41227E+06            3.030869E-06
      1.44792E+06            1.3889E-05
 448199.0000000              5.386079E-05
 155899.0000000              0.0001826227
  59479.6000000              0.0005586325
  24408.1000000              0.001576299
  10607.0000000              0.004169939
   4823.0800000              0.01042776
   2274.0800000              0.02465857
   1104.5400000              0.0544866
    550.0990000              0.1094152
    280.0100000              0.1893356
    145.3300000              0.2561724
     76.7551000              0.2268474
     41.1594000              0.1055708
     22.3445000              0.05199165
     12.2293000              0.09691052
      6.7077700              0.09468708
      3.6569400              0.03194821
      1.9597800              0.002931469
      1.0175800              0.0002111193
      0.5129130             -1.653905E-05
      0.1947980              4.265747E-06
      0.1109690              1.479579E-05
      0.0521230              2.379865E-05
Cr    S
      1.35540E+08           -4.393198E-08
      2.42404E+07           -2.923256E-07
      5.41227E+06           -1.693847E-06
      1.44792E+06           -7.762636E-06
 448199.0000000             -3.010309E-05
 155899.0000000             -0.0001020941
  59479.6000000             -0.0003124026
  24408.1000000             -0.0008824782
  10607.0000000             -0.002339258
   4823.0800000             -0.005877709
   2274.0800000             -0.01402849
   1104.5400000             -0.03159558
    550.0990000             -0.06581587
    280.0100000             -0.1223894
    145.3300000             -0.1904926
     76.7551000             -0.2170072
     41.1594000             -0.1173808
     22.3445000              0.1320872
     12.2293000              0.4300999
      6.7077700              0.4273569
      3.6569400              0.1441234
      1.9597800              0.01289772
      1.0175800             -0.0002726576
      0.5129130             -0.0005554224
      0.1947980             -5.978166E-05
      0.1109690              0.0001017909
      0.0521230              9.249085E-05
Cr    S
      1.35540E+08            9.262175E-09
      2.42404E+07            6.164427E-08
      5.41227E+06            3.570946E-07
      1.44792E+06            1.637074E-06
 448199.0000000              6.346275E-06
 155899.0000000              2.153698E-05
  59479.6000000              6.58856E-05
  24408.1000000              0.0001864046
  10607.0000000              0.0004945862
   4823.0800000              0.001248762
   2274.0800000              0.003000302
   1104.5400000              0.006870641
    550.0990000              0.0147068
    280.0100000              0.02886345
    145.3300000              0.04902786
     76.7551000              0.06391156
     41.1594000              0.03765591
     22.3445000             -0.06346137
     12.2293000             -0.2572992
      6.7077700             -0.3772640
      3.6569400             -0.1060193
      1.9597800              0.3929518
      1.0175800              0.5959745
      0.5129130              0.2812188
      0.1947980              0.02272335
      0.1109690             -0.004227356
      0.0521230              0.003488431
Cr    S
      1.35540E+08           -2.100265E-09
      2.42404E+07           -1.397942E-08
      5.41227E+06           -8.097196E-08
      1.44792E+06           -3.712563E-07
 448199.0000000             -1.438993E-06
 155899.0000000             -4.884352E-06
  59479.6000000             -1.493879E-05
  24408.1000000             -4.227739E-05
  10607.0000000             -0.0001121405
   4823.0800000             -0.0002832662
   2274.0800000             -0.0006803672
   1104.5400000             -0.001559223
    550.0990000             -0.003337304
    280.0100000             -0.006561113
    145.3300000             -0.01115752
     76.7551000             -0.01462359
     41.1594000             -0.008633298
     22.3445000              0.01464739
     12.2293000              0.06184511
      6.7077700              0.09478115
      3.6569400              0.02513425
      1.9597800             -0.1164814
      1.0175800             -0.2139959
      0.5129130             -0.2099994
      0.1947980              0.01313418
      0.1109690              0.4029770
      0.0521230              0.5574989
Cr    S
      1.35540E+08           -4.146642E-09
      2.42404E+07           -2.744623E-08
      5.41227E+06           -1.601135E-07
      1.44792E+06           -7.278668E-07
 448199.0000000             -2.850853E-06
 155899.0000000             -9.552888E-06
  59479.6000000             -2.968205E-05
  24408.1000000             -8.241072E-05
  10607.0000000             -0.0002236203
   4823.0800000             -0.0005501076
   2274.0800000             -0.001362231
   1104.5400000             -0.003015736
    550.0990000             -0.006722274
    280.0100000             -0.01259995
    145.3300000             -0.02285648
     76.7551000             -0.02715659
     41.1594000             -0.02113804
     22.3445000              0.03721168
     12.2293000              0.1114359
      6.7077700              0.2314628
      3.6569400             -0.004161973
      1.9597800             -0.2449631
      1.0175800             -0.7360778
      0.5129130              0.07004895
      0.1947980              1.2774030
      0.1109690              0.3956614
      0.0521230             -0.6769812
Cr    S
      1.35540E+08           -6.488897E-09
      2.42404E+07           -4.279886E-08
      5.41227E+06           -2.507932E-07
      1.44792E+06           -1.134012E-06
 448199.0000000             -4.470662E-06
 155899.0000000             -1.486072E-05
  59479.6000000             -4.663092E-05
  24408.1000000             -0.0001279315
  10607.0000000             -0.0003521084
   4823.0800000             -0.0008520213
   2274.0800000             -0.002150678
   1104.5400000             -0.004660657
    550.0990000             -0.0106598
    280.0100000             -0.01941515
    145.3300000             -0.0367085
     76.7551000             -0.04117897
     41.1594000             -0.03736427
     22.3445000              0.06683735
     12.2293000              0.1763321
      6.7077700              0.4399191
      3.6569400             -0.09880462
      1.9597800             -0.7255668
      1.0175800             -1.3708500
      0.5129130              2.2233550
      0.1947980              1.3085500
      0.1109690             -2.7149080
      0.0521230              0.01730143
Cr    S
      1.35540E+08           -8.057731E-09
      2.42404E+07           -5.449074E-08
      5.41227E+06           -3.092592E-07
      1.44792E+06           -1.452906E-06
 448199.0000000             -5.46589E-06
 155899.0000000             -1.924479E-05
  59479.6000000             -5.626566E-05
  24408.1000000             -0.0001681395
  10607.0000000             -0.0004180269
   4823.0800000             -0.001138751
   2274.0800000             -0.002509533
   1104.5400000             -0.006353116
    550.0990000             -0.0121576
    280.0100000             -0.0275123
    145.3300000             -0.03944079
     76.7551000             -0.06872967
     41.1594000             -0.01402938
     22.3445000              0.01289964
     12.2293000              0.4202805
      6.7077700              0.4154218
      3.6569400             -0.0960278
      1.9597800             -2.3056310
      1.0175800              1.0185750
      0.5129130              2.8776730
      0.1947980             -4.9333520
      0.1109690              2.0626700
      0.0521230              2.3161840
Cr    S
      1.35540E+08           -1.001431E-08
      2.42404E+07           -6.926624E-08
      5.41227E+06           -3.815845E-07
      1.44792E+06           -1.858014E-06
 448199.0000000             -6.687E-06
 155899.0000000             -2.484929E-05
  59479.6000000             -6.793021E-05
  24408.1000000             -0.000219938
  10607.0000000             -0.0004963362
   4823.0800000             -0.001510983
   2274.0800000             -0.002926739
   1104.5400000             -0.008574245
    550.0990000             -0.01384885
    280.0100000             -0.03834684
    145.3300000             -0.04190377
     76.7551000             -0.1070907
     41.1594000              0.02132387
     22.3445000             -0.05710773
     12.2293000              0.7753646
      6.7077700              0.4421097
      3.6569400             -0.6606407
      1.9597800             -4.4525940
      1.0175800              8.6920940
      0.5129130             -5.9392790
      0.1947980             -0.8400572
      0.1109690              5.7181160
      0.0521230             -5.7941660
Cr    S
      5.2741                 1.0
Cr    S
      1.7645                 1.0
Cr    S
      0.0244890              1.0000000
Cr    P
  72029.6000000              0.0000030
  17890.9000000              0.0000220
   5678.2800000              0.0001370
   2138.7500000              0.0006440
    905.8550000              0.0025110
    415.6450000              0.0084470
    201.6950000              0.0248620
    102.0400000              0.0637050
     53.3955000              0.1366080
     28.7570000              0.2321020
     15.8536000              0.3023570
      8.8638500              0.2683220
      4.9433400              0.1288470
      2.6973200              0.0240140
      1.4364300             -0.0002360
      0.7485180             -0.0012910
      0.3733100             -0.0005730
      0.1577120             -0.0000330
      0.0674840             -0.0000070
Cr    P
  72029.6000000             -0.0000010
  17890.9000000             -0.0000080
   5678.2800000             -0.0000470
   2138.7500000             -0.0002230
    905.8550000             -0.0008720
    415.6450000             -0.0029470
    201.6950000             -0.0087710
    102.0400000             -0.0229140
     53.3955000             -0.0506670
     28.7570000             -0.0891160
     15.8536000             -0.1223120
      8.8638500             -0.1067880
      4.9433400              0.0326180
      2.6973200              0.2616090
      1.4364300              0.4013360
      0.7485180              0.3272510
      0.3733100              0.1195440
      0.1577120              0.0105100
      0.0674840              0.0002930
Cr    P
  72029.6000000              0.0000010
  17890.9000000              0.0000050
   5678.2800000              0.0000310
   2138.7500000              0.0001350
    905.8550000              0.0005720
    415.6450000              0.0017920
    201.6950000              0.0057550
    102.0400000              0.0139210
     53.3955000              0.0336600
     28.7570000              0.0533400
     15.8536000              0.0883240
      8.8638500              0.0606720
      4.9433400             -0.0055130
      2.6973200             -0.2993800
      1.4364300             -0.4021920
      0.7485180             -0.1927060
      0.3733100              1.2394070
      0.1577120              0.1442260
      0.0674840             -0.8307840
Cr    P
  72029.6000000              0.0000010
  17890.9000000              0.0000070
   5678.2800000              0.0000350
   2138.7500000              0.0002020
    905.8550000              0.0006460
    415.6450000              0.0026650
    201.6950000              0.0064930
    102.0400000              0.0208730
     53.3955000              0.0366920
     28.7570000              0.0863130
     15.8536000              0.0825040
      8.8638500              0.1830400
      4.9433400             -0.1524300
      2.6973200             -0.4989330
      1.4364300             -0.9010930
      0.7485180              1.9311390
      0.3733100             -0.0082870
      0.1577120             -1.7252310
      0.0674840              1.1431100
Cr    P
  72029.6000000             -0.0000010
  17890.9000000             -0.0000070
   5678.2800000             -0.0000590
   2138.7500000             -0.0002150
    905.8550000             -0.0010750
    415.6450000             -0.0028710
    201.6950000             -0.0108850
    102.0400000             -0.0224070
     53.3955000             -0.0655250
     28.7570000             -0.0817190
     15.8536000             -0.1939850
      8.8638500             -0.1416950
      4.9433400              0.2081580
      2.6973200              1.6488430
      1.4364300             -1.4462180
      0.7485180             -1.8462910
      0.3733100              3.6358120
      0.1577120             -2.7449690
      0.0674840              0.9609530
Cr    P
  17890.9000000             -0.0000020
   5678.2800000             -0.0000110
   2138.7500000             -0.0000520
    905.8550000             -0.0002070
    415.6450000             -0.0006930
    201.6950000             -0.0020820
    102.0400000             -0.0054050
     53.3955000             -0.0120940
     28.7570000             -0.0210980
     15.8536000             -0.0296980
      8.8638500             -0.0250470
      4.9433400              0.0102820
      2.6973200              0.0768880
      1.4364300              0.1173220
      0.7485180              0.1163280
      0.3733100             -0.0450520
      0.1577120             -0.3724610
      0.0674840             -0.5207620
Cr    P
  17890.9000000              0.0000020
   5678.2800000              0.0000140
   2138.7500000              0.0000670
    905.8550000              0.0002620
    415.6450000              0.0008810
    201.6950000              0.0026350
    102.0400000              0.0068590
     53.3955000              0.0152810
     28.7570000              0.0268000
     15.8536000              0.0374690
      8.8638500              0.0322580
      4.9433400             -0.0124160
      2.6973200             -0.0943420
      1.4364300             -0.1479450
      0.7485180             -0.1595740
      0.3733100              0.0422640
      0.1577120              0.6008800
      0.0674840              0.4537120
Cr    P
      7.6986                 1.0
Cr    P
      2.2682                 1.0
Cr    P
      0.0285950              1.0000000
Cr    D
    384.3240000              0.0001660
    115.6210000              0.0015330
     44.8478000              0.0082730
     19.6129000              0.0296280
      9.1008300              0.0804320
      4.4183200              0.1682550
      2.1828700              0.2573470
      1.0684000              0.3013010
      0.5106240              0.2754300
      0.2351410              0.1820770
      0.1028360              0.0675340
Cr    D
    384.3240000             -0.0001870
    115.6210000             -0.0017360
     44.8478000             -0.0094250
     19.6129000             -0.0339690
      9.1008300             -0.0949620
      4.4183200             -0.1972130
      2.1828700             -0.2639680
      1.0684000             -0.1771220
      0.5106240              0.1388050
      0.2351410              0.4526330
      0.1028360              0.3742040
Cr    D
    384.3240000             -0.0002700
    115.6210000             -0.0024910
     44.8478000             -0.0136900
     19.6129000             -0.0497520
      9.1008300             -0.1445960
      4.4183200             -0.2922080
      2.1828700             -0.2774690
      1.0684000              0.2057700
      0.5106240              0.6868800
      0.2351410              0.0068000
      0.1028360             -0.6314930
Cr    D
    384.3240000             -0.0003980
    115.6210000             -0.0034880
     44.8478000             -0.0202480
     19.6129000             -0.0719540
      9.1008300             -0.2362580
      4.4183200             -0.4094040
      2.1828700              0.0167400
      1.0684000              1.0070320
      0.5106240             -0.2422900
      0.2351410             -1.0046230
      0.1028360              0.6909580
Cr    D
    384.3240000              0.0004530
    115.6210000              0.0048530
     44.8478000              0.0241550
     19.6129000              0.1054670
      9.1008300              0.3238140
      4.4183200              0.4542210
      2.1828700             -1.0093700
      1.0684000             -0.3428410
      0.5106240              1.8302970
      0.2351410             -1.6316990
      0.1028360              0.3024500
Cr    D
      5.2049                 1.0
Cr    D
      3.1409                 1.0
Cr    D
      0.0414250              1.0000000
Cr    F
      8.1795                 1.0
Cr    F
      3.5529                 1.0
Cr    F
      1.5433                 1.0
Cr    F
      0.6704                 1.0
Cr    F
      0.2182000              1.0000000
Cr    G
      5.5388                 1.0
Cr    G
      2.6392                 1.0
Cr    G
      1.2576                 1.0
Cr    G
      0.4318000              1.0000000
Cr    H
      5.1844                 1.0
Cr    H
      2.3556                 1.0
Cr    H
      0.8770000              1.0000000
Cr    I
      5.1988                 1.0
Cr    I
      2.1131000              1.0000000
end
basis "Mn_cc-pwcv5z" 
#basis SET: (219s,134p,58d,5f,4g,3h,2i) -> [11s,10p,8d,5f,4g,3h,2i]
Mn    S
      1.37766E+08            8.842975E-08
      2.45640E+07            5.905615E-07
      5.47999E+06            3.42133E-06
      1.46664E+06            1.566036E-05
 454421.0000000              6.063846E-05
 158216.0000000              0.0002053663
  60404.3000000              0.000627818
  24793.6000000              0.001771534
  10772.3000000              0.004687682
   4895.5400000              0.01172341
   2306.5600000              0.02769121
   1119.5600000              0.06096465
    557.3810000              0.1213985
    283.7780000              0.2067236
    147.4360000              0.2716552
     78.0227000              0.2296262
     41.9679000              0.09993531
     22.8778000              0.04335678
     12.5845000              0.07097637
      6.9417000              0.06195771
      3.8062900              0.01878693
      2.0503100              0.001455711
      1.0683800             -5.045613E-05
      0.5366060             -8.380837E-05
      0.1832600             -9.776338E-07
      0.1052970              9.779516E-06
      0.0514640              1.146026E-05
Mn    S
      1.37766E+08           -4.218706E-08
      2.45640E+07           -2.817388E-07
      5.47999E+06           -1.632223E-06
      1.46664E+06           -7.471311E-06
 454421.0000000             -2.893181E-05
 158216.0000000             -9.800407E-05
  60404.3000000             -0.0002997548
  24793.6000000             -0.0008468121
  10772.3000000             -0.002246523
   4895.5400000             -0.005649008
   2306.5600000             -0.01349329
   1119.5600000             -0.03037651
    557.3810000             -0.06317168
    283.7780000             -0.1169586
    147.4360000             -0.1804917
     78.0227000             -0.1999569
     41.9679000             -0.09135649
     22.8778000              0.1705224
     12.5845000              0.4562984
      6.9417000              0.4058134
      3.8062900              0.1228205
      2.0503100              0.009020458
      1.0683800             -0.001825436
      0.5366060             -0.001093262
      0.1832600             -8.298619E-05
      0.1052970              0.0001053172
      0.0514640              5.625668E-05
Mn    S
      1.37766E+08            1.015457E-08
      2.45640E+07            6.782945E-08
      5.47999E+06            3.928614E-07
      1.46664E+06            1.798871E-06
 454421.0000000              6.963577E-06
 158216.0000000              2.360275E-05
  60404.3000000              7.217248E-05
  24793.6000000              0.0002041835
  10772.3000000              0.0005421183
   4895.5400000              0.001369241
   2306.5600000              0.003290005
   1119.5600000              0.007518812
    557.3810000              0.01602116
    283.7780000              0.03113189
    147.4360000              0.05187931
     78.0227000              0.0645544
     41.9679000              0.03109453
     22.8778000             -0.08134397
     12.5845000             -0.2830847
      6.9417000             -0.3683282
      3.8062900             -0.05599023
      2.0503100              0.4285509
      1.0683800              0.5819623
      0.5366060              0.2496080
      0.1832600              0.01728022
      0.1052970             -0.004795031
      0.0514640              0.003440433
Mn    S
      1.37766E+08           -2.246625E-09
      2.45640E+07           -1.500767E-08
      5.47999E+06           -8.691633E-08
      1.46664E+06           -3.980171E-07
 454421.0000000             -1.540586E-06
 158216.0000000             -5.222482E-06
  60404.3000000             -1.596671E-05
  24793.6000000             -4.518135E-05
  10772.3000000             -0.0001199336
   4895.5400000             -0.0003030247
   2306.5600000             -0.0007279695
   1119.5600000             -0.001664739
    557.3810000             -0.003547631
    283.7780000             -0.00690479
    147.4360000             -0.01152342
     78.0227000             -0.01441381
     41.9679000             -0.006961783
     22.8778000              0.01838929
     12.5845000              0.0665831
      6.9417000              0.09026754
      3.8062900              0.01114062
      2.0503100             -0.1232779
      1.0683800             -0.2094592
      0.5366060             -0.1925129
      0.1832600              0.0752431
      0.1052970              0.4096457
      0.0514640              0.5138881
Mn    S
      1.37766E+08           -4.534252E-09
      2.45640E+07           -3.003406E-08
      5.47999E+06           -1.758309E-07
      1.46664E+06           -7.947986E-07
 454421.0000000             -3.125609E-06
 158216.0000000             -1.039025E-05
  60404.3000000             -3.253639E-05
  24793.6000000             -8.943434E-05
  10772.3000000             -0.0002457164
   4895.5400000             -0.0005964197
   2306.5600000             -0.001500461
   1119.5600000             -0.003255209
    557.3810000             -0.007379623
    283.7780000             -0.01333239
    147.4360000             -0.02461735
     78.0227000             -0.02607861
     41.9679000             -0.02088826
     22.8778000              0.05123107
     12.5845000              0.1130295
      6.9417000              0.2466771
      3.8062900             -0.06508546
      2.0503100             -0.2324403
      1.0683800             -0.7884686
      0.5366060              0.2571250
      0.1832600              1.4735000
      0.1052970             -0.01641997
      0.0514640             -0.6176794
Mn    S
      1.37766E+08           -7.148E-09
      2.45640E+07           -4.720068E-08
      5.47999E+06           -2.774238E-07
      1.46664E+06           -1.248083E-06
 454421.0000000             -4.936711E-06
 158216.0000000             -1.629371E-05
  60404.3000000             -5.147115E-05
  24793.6000000             -0.0001399872
  10772.3000000             -0.0003894882
   4895.5400000             -0.0009316701
   2306.5600000             -0.002384126
   1119.5600000             -0.005075251
    557.3810000             -0.01177533
    283.7780000             -0.02073168
    147.4360000             -0.03978041
     78.0227000             -0.0398361
     41.9679000             -0.03723219
     22.8778000              0.09006454
     12.5845000              0.1833979
      6.9417000              0.4676477
      3.8062900             -0.2128283
      2.0503100             -0.7680324
      1.0683800             -1.2496170
      0.5366060              2.4127970
      0.1832600              0.7227795
      0.1052970             -2.5218430
      0.0514640              0.3302503
Mn    S
      1.37766E+08            8.949441E-09
      2.45640E+07            6.11075E-08
      5.47999E+06            3.441033E-07
      1.46664E+06            1.62958E-06
 454421.0000000              6.052563E-06
 158216.0000000              2.158213E-05
  60404.3000000              6.199578E-05
  24793.6000000              0.0001890931
  10772.3000000              0.0004590406
   4895.5400000              0.001286601
   2306.5600000              0.002744429
   1119.5600000              0.007197225
    557.3810000              0.01311149
    283.7780000              0.03103962
    147.4360000              0.04028608
     78.0227000              0.07611996
     41.9679000             -0.003929039
     22.8778000             -0.008212308
     12.5845000             -0.5082019
      6.9417000             -0.3343452
      3.8062900              0.08969441
      2.0503100              2.7884720
      1.0683800             -2.2387070
      0.5366060             -1.6215140
      0.1832600              5.0502260
      0.1052970             -3.4580400
      0.0514640             -1.2850680
Mn    S
      1.37766E+08           -1.066381E-08
      2.45640E+07           -7.316027E-08
      5.47999E+06           -4.095669E-07
      1.46664E+06           -1.952973E-06
 454421.0000000             -7.192587E-06
 158216.0000000             -2.591346E-05
  60404.3000000             -7.34907E-05
  24793.6000000             -0.0002276235
  10772.3000000             -0.0005425268
   4895.5400000             -0.001553473
   2306.5600000             -0.003235321
   1119.5600000             -0.008728688
    557.3810000             -0.01543349
    283.7780000             -0.03803991
    147.4360000             -0.04719394
     78.0227000             -0.09654593
     41.9679000              0.01102053
     22.8778000              0.002268643
     12.5845000              0.7235714
      6.9417000              0.6284262
      3.8062900             -1.3868730
      2.0503100             -3.6182300
      1.0683800              8.7472240
      0.5366060             -6.9446930
      0.1832600              1.9204040
      0.1052970              2.7673240
      0.0514640             -4.8034180
Mn    S
      5.8221                 1.0
Mn    S
      1.9916                 1.0
Mn    S
      0.0246780              1.0000000
Mn    P
  79296.8000000              0.0000030
  19317.1000000              0.0000230
   6114.1000000              0.0001400
   2316.2600000              0.0006490
    989.6900000              0.0024900
    457.9420000              0.0082780
    223.6420000              0.0242560
    113.5940000              0.0622630
     59.5621000              0.1344250
     32.1072000              0.2305460
     17.7103000              0.3028020
      9.9062100              0.2709290
      5.5224300              0.1311240
      3.0083200              0.0238760
      1.5987300             -0.0013330
      0.8308680             -0.0022010
      0.4135380             -0.0008920
      0.1711080             -0.0000580
      0.0721660             -0.0000060
Mn    P
  79296.8000000             -0.0000010
  19317.1000000             -0.0000080
   6114.1000000             -0.0000490
   2316.2600000             -0.0002260
    989.6900000             -0.0008670
    457.9420000             -0.0028990
    223.6420000             -0.0085880
    113.5940000             -0.0224810
     59.5621000             -0.0500630
     32.1072000             -0.0890050
     17.7103000             -0.1231560
      9.9062100             -0.1081330
      5.5224300              0.0330910
      3.0083200              0.2649160
      1.5987300              0.4034830
      0.8308680              0.3248540
      0.4135380              0.1174300
      0.1711080              0.0101160
      0.0721660              0.0001390
Mn    P
  79296.8000000              0.0000010
  19317.1000000              0.0000050
   6114.1000000              0.0000340
   2316.2600000              0.0001430
    989.6900000              0.0005980
    457.9420000              0.0018360
    223.6420000              0.0059260
    113.5940000              0.0142470
     59.5621000              0.0349660
     32.1072000              0.0555390
     17.7103000              0.0932280
      9.9062100              0.0637480
      5.5224300             -0.0048200
      3.0083200             -0.3313960
      1.5987300             -0.4086080
      0.8308680             -0.1206320
      0.4135380              1.2130530
      0.1711080              0.0834220
      0.0721660             -0.7984570
Mn    P
  79296.8000000              0.0000010
  19317.1000000              0.0000080
   6114.1000000              0.0000380
   2316.2600000              0.0002180
    989.6900000              0.0006870
    457.9420000              0.0028050
    223.6420000              0.0068190
    113.5940000              0.0219170
     59.5621000              0.0391730
     32.1072000              0.0916730
     17.7103000              0.0889890
      9.9062100              0.1938430
      5.5224300             -0.1670910
      3.0083200             -0.6030080
      1.5987300             -0.7469800
      0.8308680              1.9864650
      0.4135380             -0.2640370
      0.1711080             -1.5278200
      0.0721660              1.1102770
Mn    P
  79296.8000000             -0.0000010
  19317.1000000             -0.0000090
   6114.1000000             -0.0000610
   2316.2600000             -0.0002580
    989.6900000             -0.0010900
    457.9420000             -0.0033360
    223.6420000             -0.0108790
    113.5940000             -0.0262170
     59.5621000             -0.0651420
     32.1072000             -0.1036590
     17.7103000             -0.1798150
      9.9062100             -0.2372120
      5.5224300              0.4289330
      3.0083200              1.7159450
      1.5987300             -2.1889430
      0.8308680             -0.7886070
      0.4135380              2.9045500
      0.1711080             -2.4975380
      0.0721660              0.9969160
Mn    P
  19317.1000000             -0.0000020
   6114.1000000             -0.0000110
   2316.2600000             -0.0000520
    989.6900000             -0.0002010
    457.9420000             -0.0006640
    223.6420000             -0.0019890
    113.5940000             -0.0051630
     59.5621000             -0.0116530
     32.1072000             -0.0204990
     17.7103000             -0.0291510
      9.9062100             -0.0246150
      5.5224300              0.0097150
      3.0083200              0.0754410
      1.5987300              0.1132040
      0.8308680              0.1117760
      0.4135380             -0.0440690
      0.1711080             -0.3663240
      0.0721660             -0.5217500
Mn    P
  19317.1000000              0.0000020
   6114.1000000              0.0000150
   2316.2600000              0.0000690
    989.6900000              0.0002680
    457.9420000              0.0008870
    223.6420000              0.0026510
    113.5940000              0.0068870
     59.5621000              0.0155180
     32.1072000              0.0273590
     17.7103000              0.0388620
      9.9062100              0.0331240
      5.5224300             -0.0123220
      3.0083200             -0.0993820
      1.5987300             -0.1521070
      0.8308680             -0.1564310
      0.4135380              0.0650050
      0.1711080              0.6060200
      0.0721660              0.4366030
Mn    P
      8.8112                 1.0
Mn    P
      2.6893                 1.0
Mn    P
      0.0301650              1.0000000
Mn    D
    435.1000000              0.0001640
    130.9820000              0.0015220
     50.8816000              0.0082730
     22.3008000              0.0300090
     10.3552000              0.0825800
      5.0152100              0.1735770
      2.4679300              0.2626510
      1.2036900              0.2984790
      0.5741520              0.2656810
      0.2641140              0.1802830
      0.1151280              0.0766130
Mn    D
    435.1000000             -0.0001670
    130.9820000             -0.0015520
     50.8816000             -0.0084650
     22.3008000             -0.0308790
     10.3552000             -0.0869740
      5.0152100             -0.1838990
      2.4679300             -0.2523340
      1.2036900             -0.1705240
      0.5741520              0.1226330
      0.2641140              0.4216570
      0.1151280              0.4069480
Mn    D
    435.1000000             -0.0002640
    130.9820000             -0.0024650
     50.8816000             -0.0135790
     22.3008000             -0.0501340
     10.3552000             -0.1470570
      5.0152100             -0.3005680
      2.4679300             -0.2747340
      1.2036900              0.1995370
      0.5741520              0.6304240
      0.2641140              0.0936480
      0.1151280             -0.5780320
Mn    D
    435.1000000             -0.0003350
    130.9820000             -0.0031170
     50.8816000             -0.0173510
     22.3008000             -0.0644280
     10.3552000             -0.2031970
      5.0152100             -0.4122630
      2.4679300             -0.0104480
      1.2036900              0.9383060
      0.5741520             -0.1067180
      0.2641140             -0.9815340
      0.1151280              0.4637150
Mn    D
    435.1000000              0.0004280
    130.9820000              0.0040650
     50.8816000              0.0224800
     22.3008000              0.0881960
     10.3552000              0.3015230
      5.0152100              0.4548760
      2.4679300             -0.8562740
      1.2036900             -0.4854470
      0.5741520              1.6097040
      0.2641140             -1.0002050
      0.1151280             -0.3451560
Mn    D
      5.9895                 1.0
Mn    D
      3.5751                 1.0
Mn    D
      0.0460820              1.0000000
Mn    F
      9.5173                 1.0
Mn    F
      4.1658                 1.0
Mn    F
      1.8234                 1.0
Mn    F
      0.7981                 1.0
Mn    F
      0.2643000              1.0000000
Mn    G
      6.4935                 1.0
Mn    G
      3.1366                 1.0
Mn    G
      1.5151                 1.0
Mn    G
      0.5401000              1.0000000
Mn    H
      6.0137                 1.0
Mn    H
      2.7877                 1.0
Mn    H
      1.0793000              1.0000000
Mn    I
      6.1023                 1.0
Mn    I
      2.6052000              1.0000000
end
basis "Fe_cc-pwcv5z" 
#basis SET: (219s,134p,58d,5f,4g,3h,2i) -> [11s,10p,8d,5f,4g,3h,2i]
Fe    S
      1.49769E+08            8.65756E-08
      2.67225E+07            5.77912E-07
      5.95900E+06            3.351645E-06
      1.59361E+06            1.535765E-05
 493464.0000000              5.94969E-05
 171790.0000000              0.0002014152
  65620.9000000              0.0006149037
  26965.6000000              0.001731321
  11735.3000000              0.004569368
   5343.4300000              0.01139791
   2522.5000000              0.02686784
   1226.4300000              0.05910762
    611.2690000              0.1178426
    311.3080000              0.2013762
    161.6240000              0.2660774
     85.3767000              0.2259862
     45.7911000              0.0989389
     24.8677000              0.04932559
     13.6202000              0.08604376
      7.4810600              0.07322462
      4.0881700              0.0211745
      2.1990500              0.001623143
      1.1481500              1.197242E-06
      0.5772650             -5.963673E-05
      0.1976350             -7.981802E-07
      0.1089860              9.664711E-06
      0.0532160              9.1322E-06
Fe    S
      1.49769E+08           -4.466833E-08
      2.67225E+07           -2.981708E-07
      5.95900E+06           -1.729284E-06
      1.59361E+06           -7.923933E-06
 493464.0000000             -3.070041E-05
 171790.0000000             -0.0001039495
  65620.9000000             -0.0003175045
  26965.6000000             -0.0008949487
  11735.3000000             -0.002367812
   5343.4300000             -0.005936926
   2522.5000000             -0.01414486
   1226.4300000             -0.03178413
    611.2690000             -0.0660463
    311.3080000             -0.1222703
    161.6240000             -0.1886920
     85.3767000             -0.2090970
     45.7911000             -0.09698896
     24.8677000              0.1731916
     13.6202000              0.4624772
      7.4810600              0.3998340
      4.0881700              0.1152408
      2.1990500              0.008408747
      1.1481500             -0.00129691
      0.5772650             -0.0007550238
      0.1976350             -6.907416E-05
      0.1089860              8.777604E-05
      0.0532160              3.250702E-05
Fe    S
      1.49769E+08            1.025471E-08
      2.67225E+07            6.846679E-08
      5.95900E+06            3.96979E-07
      1.59361E+06            1.819651E-06
 493464.0000000              7.047651E-06
 171790.0000000              2.387774E-05
  65620.9000000              7.291472E-05
  26965.6000000              0.0002058392
  11735.3000000              0.0005451035
   5343.4300000              0.001373278
   2522.5000000              0.003293117
   1226.4300000              0.007520746
    611.2690000              0.01604652
    311.3080000              0.03130265
    161.6240000              0.05252865
     85.3767000              0.06605295
     45.7911000              0.03249377
     24.8677000             -0.08476809
     13.6202000             -0.2950180
      7.4810600             -0.3709547
      4.0881700             -0.03464813
      2.1990500              0.4462486
      1.1481500              0.5717586
      0.5772650              0.2348678
      0.1976350              0.01506233
      0.1089860             -0.003437339
      0.0532160              0.003254188
Fe    S
      1.49769E+08           -2.217427E-09
      2.67225E+07           -1.480595E-08
      5.95900E+06           -8.583901E-08
      1.59361E+06           -3.93507E-07
 493464.0000000             -1.523883E-06
 171790.0000000             -5.163835E-06
  65620.9000000             -1.576558E-05
  26965.6000000             -4.451792E-05
  11735.3000000             -0.000117862
   5343.4300000             -0.0002970506
   2522.5000000             -0.00071215
   1226.4300000             -0.001627578
    611.2690000             -0.003472813
    311.3080000             -0.006786387
    161.6240000             -0.01140447
     85.3767000             -0.0144202
     45.7911000             -0.007112199
     24.8677000              0.01875196
     13.6202000              0.06800067
      7.4810600              0.08897549
      4.0881700              0.005375665
      2.1990500             -0.1262455
      1.1481500             -0.2047776
      0.5772650             -0.1813373
      0.1976350              0.08926755
      0.1089860              0.4152351
      0.0532160              0.4980481
Fe    S
      1.49769E+08           -4.424824E-09
      2.67225E+07           -2.930792E-08
      5.95900E+06           -1.71671E-07
      1.59361E+06           -7.77332E-07
 493464.0000000             -3.05604E-06
 171790.0000000             -1.016453E-05
  65620.9000000             -3.175112E-05
  26965.6000000             -8.719808E-05
  11735.3000000             -0.0002386228
   5343.4300000             -0.0005786208
   2522.5000000             -0.001450243
   1226.4300000             -0.003150862
    611.2690000             -0.007132634
    311.3080000             -0.01299059
    161.6240000             -0.02399757
     85.3767000             -0.02606463
     45.7911000             -0.02037216
     24.8677000              0.05015681
     13.6202000              0.1171966
      7.4810600              0.2376384
      4.0881700             -0.07287353
      2.1990500             -0.2495889
      1.1481500             -0.7317222
      0.5772650              0.2562426
      0.1976350              1.3560610
      0.1089860              0.05874061
      0.0532160             -0.5623917
Fe    S
      1.49769E+08           -7.310611E-09
      2.67225E+07           -4.824191E-08
      5.95900E+06           -2.839212E-07
      1.59361E+06           -1.27829E-06
 493464.0000000             -5.060659E-06
 171790.0000000             -1.66875E-05
  65620.9000000             -5.268054E-05
  26965.6000000             -0.0001428269
  11735.3000000             -0.0003968842
   5343.4300000             -0.0009453497
   2522.5000000             -0.002419017
   1226.4300000             -0.005134981
    611.2690000             -0.01195244
    311.3080000             -0.02109359
    161.6240000             -0.04075824
     85.3767000             -0.04137104
     45.7911000             -0.0387337
     24.8677000              0.09345579
     13.6202000              0.1922005
      7.4810600              0.4898034
      4.0881700             -0.2420892
      2.1990500             -0.8764617
      1.1481500             -1.0744520
      0.5772650              2.3517730
      0.1976350              0.5240434
      0.1089860             -2.2517260
      0.0532160              0.2695895
Fe    S
      1.49769E+08            9.015017E-09
      2.67225E+07            6.106675E-08
      5.95900E+06            3.475829E-07
      1.59361E+06            1.628897E-06
 493464.0000000              6.139742E-06
 171790.0000000              2.150851E-05
  65620.9000000              6.302967E-05
  26965.6000000              0.0001870318
  11735.3000000              0.0004667623
   5343.4300000              0.001260398
   2522.5000000              0.002793658
   1226.4300000              0.00699293
    611.2690000              0.01347323
    311.3080000              0.02996288
    161.6240000              0.04304064
     85.3767000              0.07114008
     45.7911000              0.00991124
     24.8677000             -0.03635768
     13.6202000             -0.4435727
      7.4810600             -0.5159647
      4.0881700              0.3276521
      2.1990500              2.9003630
      1.1481500             -2.8382230
      0.5772650             -1.0430590
      0.1976350              4.5316650
      0.1089860             -3.2699620
      0.0532160             -1.0260610
Fe    S
      1.49769E+08           -1.054576E-08
      2.67225E+07           -7.056298E-08
      5.95900E+06           -4.07978E-07
      1.59361E+06           -1.876538E-06
 493464.0000000             -7.237094E-06
 171790.0000000             -2.464974E-05
  65620.9000000             -7.478965E-05
  26965.6000000             -0.0002128281
  11735.3000000             -0.0005585257
   5343.4300000             -0.00142342
   2522.5000000             -0.003375476
   1226.4300000             -0.007838124
    611.2690000             -0.01654157
    311.3080000             -0.03319364
    161.6240000             -0.0553315
     85.3767000             -0.07431718
     45.7911000             -0.03576261
     24.8677000              0.09555264
     13.6202000              0.4920463
      7.4810600              1.2092390
      4.0881700             -2.5331060
      2.1990500             -2.3277190
      1.1481500              8.1954170
      0.5772650             -7.2448810
      0.1976350              3.1292460
      0.1089860              1.1613620
      0.0532160             -3.8758240
Fe    S
      6.5165                 1.0
Fe    S
      2.2905                 1.0
Fe    S
      0.0255710              1.0000000
Fe    P
  86947.3000000              0.0000020
  21254.0000000              0.0000220
   6741.1400000              0.0001370
   2557.1600000              0.0006330
   1093.5100000              0.0024280
    506.1610000              0.0080880
    247.1390000              0.0238010
    125.4150000              0.0614900
     65.6512000              0.1338960
     35.3079000              0.2315900
     19.4260000              0.3051640
     10.8438000              0.2709610
      6.0435900              0.1290850
      3.3024500              0.0234320
      1.7638900             -0.0009120
      0.9213860             -0.0018800
      0.4603730             -0.0007740
      0.1836130             -0.0000500
      0.0758570             -0.0000020
Fe    P
  86947.3000000             -0.0000010
  21254.0000000             -0.0000080
   6741.1400000             -0.0000480
   2557.1600000             -0.0002230
   1093.5100000             -0.0008580
    506.1610000             -0.0028740
    247.1390000             -0.0085490
    125.4150000             -0.0225280
     65.6512000             -0.0506120
     35.3079000             -0.0908530
     19.4260000             -0.1261670
     10.8438000             -0.1087830
      6.0435900              0.0380140
      3.3024500              0.2686010
      1.7638900              0.4011180
      0.9213860              0.3201590
      0.4603730              0.1178280
      0.1836130              0.0103210
      0.0758570             -0.0002070
Fe    P
  86947.3000000              0.0000010
  21254.0000000              0.0000050
   6741.1400000              0.0000350
   2557.1600000              0.0001480
   1093.5100000              0.0006300
    506.1610000              0.0019130
    247.1390000              0.0062820
    125.4150000              0.0150250
     65.6512000              0.0376700
     35.3079000              0.0595210
     19.4260000              0.1023020
     10.8438000              0.0667160
      6.0435900             -0.0046980
      3.3024500             -0.3942540
      1.7638900             -0.4102480
      0.9213860             -0.0101410
      0.4603730              1.1891730
      0.1836130             -0.0476880
      0.0758570             -0.7406230
Fe    P
  86947.3000000              0.0000010
  21254.0000000              0.0000080
   6741.1400000              0.0000390
   2557.1600000              0.0002240
   1093.5100000              0.0006930
    506.1610000              0.0028800
    247.1390000              0.0069440
    125.4150000              0.0227470
     65.6512000              0.0406250
     35.3079000              0.0966580
     19.4260000              0.0922040
     10.8438000              0.2132970
      6.0435900             -0.2060540
      3.3024500             -0.6970400
      1.7638900             -0.5861790
      0.9213860              2.0953970
      0.4603730             -0.6206040
      0.1836130             -1.2761030
      0.0758570              1.0949440
Fe    P
  86947.3000000              0.0000010
  21254.0000000              0.0000100
   6741.1400000              0.0000570
   2557.1600000              0.0002980
   1093.5100000              0.0010240
    506.1610000              0.0038480
    247.1390000              0.0103190
    125.4150000              0.0307110
     65.6512000              0.0617990
     35.3079000              0.1300020
     19.4260000              0.1521010
     10.8438000              0.3802740
      6.0435900             -0.8124970
      3.3024500             -1.5336760
      1.7638900              2.7453080
      0.9213860             -0.1935220
      0.4603730             -2.1517710
      0.1836130              2.2005390
      0.0758570             -1.0191770
Fe    P
  21254.0000000              0.0000020
   6741.1400000              0.0000110
   2557.1600000              0.0000490
   1093.5100000              0.0001900
    506.1610000              0.0006290
    247.1390000              0.0018960
    125.4150000              0.0049400
     65.6512000              0.0112840
     35.3079000              0.0199750
     19.4260000              0.0286520
     10.8438000              0.0234470
      6.0435900             -0.0101570
      3.3024500             -0.0737810
      1.7638900             -0.1060330
      0.9213860             -0.1072140
      0.4603730              0.0388870
      0.1836130              0.3560020
      0.0758570              0.5256190
Fe    P
  21254.0000000              0.0000030
   6741.1400000              0.0000160
   2557.1600000              0.0000720
   1093.5100000              0.0002850
    506.1610000              0.0009310
    247.1390000              0.0028370
    125.4150000              0.0073090
     65.6512000              0.0168900
     35.3079000              0.0294880
     19.4260000              0.0433150
     10.8438000              0.0342620
      6.0435900             -0.0126420
      3.3024500             -0.1153800
      1.7638900             -0.1597990
      0.9213860             -0.1624660
      0.4603730              0.1157490
      0.1836130              0.6334080
      0.0758570              0.3848220
Fe    P
      9.9818                 1.0
Fe    P
      3.1702                 1.0
Fe    P
      0.0311470              1.0000000
Fe    D
    489.1150000              0.0001610
    147.2080000              0.0015040
     57.1278000              0.0082640
     25.0429000              0.0303080
     11.6672000              0.0833100
      5.6825000              0.1734770
      2.8132500              0.2614830
      1.3773300              0.2996800
      0.6565340              0.2695640
      0.3007000              0.1786260
      0.1301870              0.0691950
Fe    D
    489.1150000             -0.0001770
    147.2080000             -0.0016620
     57.1278000             -0.0091670
     25.0429000             -0.0338130
     11.6672000             -0.0952530
      5.6825000             -0.2009730
      2.8132500             -0.2716650
      1.3773300             -0.1618990
      0.6565340              0.1633340
      0.3007000              0.4360160
      0.1301870              0.3688740
Fe    D
    489.1150000              0.0002550
    147.2080000              0.0024170
     57.1278000              0.0133600
     25.0429000              0.0501130
     11.6672000              0.1462150
      5.6825000              0.3074050
      2.8132500              0.2670510
      1.3773300             -0.2621310
      0.6565340             -0.6319990
      0.3007000             -0.0025160
      0.1301870              0.6017010
Fe    D
    489.1150000             -0.0003430
    147.2080000             -0.0033700
     57.1278000             -0.0182450
     25.0429000             -0.0707720
     11.6672000             -0.2178620
      5.6825000             -0.4774330
      2.8132500              0.1101250
      1.3773300              1.0166160
      0.6565340             -0.3807830
      0.3007000             -0.8475000
      0.1301870              0.5934410
Fe    D
    489.1150000             -0.0004800
    147.2080000             -0.0041140
     57.1278000             -0.0251280
     25.0429000             -0.0908760
     11.6672000             -0.3569300
      5.6825000             -0.4983040
      2.8132500              1.2870220
      1.3773300             -0.1020050
      0.6565340             -1.4530250
      0.3007000              1.4203760
      0.1301870             -0.2129640
Fe    D
      7.0959                 1.0
Fe    D
      4.3150                 1.0
Fe    D
      0.0515820              1.0000000
Fe    F
     11.0527                 1.0
Fe    F
      4.8693                 1.0
Fe    F
      2.1452                 1.0
Fe    F
      0.9451                 1.0
Fe    F
      0.3175000              1.0000000
Fe    G
      7.5673                 1.0
Fe    G
      3.6967                 1.0
Fe    G
      1.8059                 1.0
Fe    G
      0.6657000              1.0000000
Fe    H
      6.9319                 1.0
Fe    H
      3.2742                 1.0
Fe    H
      1.3156000              1.0000000
Fe    I
      7.0632                 1.0
Fe    I
      3.1502000              1.0000000
end
basis "Co_cc-pwcv5z" 
#basis SET: (219s,134p,58d,5f,4g,3h,2i) -> [11s,10p,8d,5f,4g,3h,2i]
Co    S
      1.61030E+08            8.662183E-08
      2.87558E+07            5.771763E-07
      6.42324E+06            3.338777E-06
      1.72120E+06            1.525639E-05
 533994.0000000              5.896429E-05
 186194.0000000              0.0001992702
  71201.7000000              0.0006077789
  29276.2000000              0.001710961
  12742.3000000              0.004517474
   5800.5100000              0.01127782
   2736.9600000              0.02661227
   1329.9900000              0.05860637
    662.6110000              0.1169482
    337.4150000              0.1999746
    175.2340000              0.2643784
     92.6434000              0.2249341
     49.7576000              0.0990624
     27.0728000              0.05071482
     14.8610000              0.08902685
      8.1812100              0.07586152
      4.4794100              0.02214222
      2.4119100              0.001717531
      1.2584400             -5.409407E-06
      0.6312340             -6.718433E-05
      0.2152970             -7.1786E-07
      0.1185100              6.03256E-06
      0.0572090              6.126313E-06
Co    S
      1.61030E+08           -4.556183E-08
      2.87558E+07           -3.035847E-07
      6.42324E+06           -1.756166E-06
      1.72120E+06           -8.024821E-06
 533994.0000000             -3.101768E-05
 186194.0000000             -0.0001048428
  71201.7000000             -0.0003199314
  29276.2000000             -0.0009016105
  12742.3000000             -0.00238639
   5800.5100000             -0.0059881
   2736.9600000             -0.01428063
   1329.9900000             -0.03211732
    662.6110000             -0.06678496
    337.4150000             -0.1236623
    175.2340000             -0.1908018
     92.6434000             -0.2115468
     49.7576000             -0.09922228
     27.0728000              0.1722946
     14.8610000              0.4619215
      8.1812100              0.3996247
      4.4794100              0.1162798
      2.4119100              0.008604498
      1.2584400             -0.001265293
      0.6312340             -0.0007648586
      0.2152970             -6.404352E-05
      0.1185100              6.372632E-05
      0.0572090              1.662965E-05
Co    S
      1.61030E+08            1.041562E-08
      2.87558E+07            6.941461E-08
      6.42324E+06            4.01447E-07
      1.72120E+06            1.835009E-06
 533994.0000000              7.090429E-06
 186194.0000000              2.398084E-05
  71201.7000000              7.316286E-05
  29276.2000000              0.0002064944
  12742.3000000              0.000547093
   5800.5100000              0.001379359
   2736.9600000              0.003311503
   1329.9900000              0.007570774
    662.6110000              0.01617381
    337.4150000              0.03158299
    175.2340000              0.05307111
     92.6434000              0.06689319
     49.7576000              0.03338852
     27.0728000             -0.08553213
     14.8610000             -0.2983211
      8.1812100             -0.3720681
      4.4794100             -0.03313281
      2.4119100              0.4476713
      1.2584400              0.5711223
      0.6312340              0.2346370
      0.2152970              0.01505834
      0.1185100             -0.003444353
      0.0572090              0.003212369
Co    S
      1.61030E+08           -2.200797E-09
      2.87558E+07           -1.46685E-08
      6.42324E+06           -8.482259E-08
      1.72120E+06           -3.877784E-07
 533994.0000000             -1.498105E-06
 186194.0000000             -5.067913E-06
  71201.7000000             -1.545763E-05
  29276.2000000             -4.36422E-05
  12742.3000000             -0.0001155867
   5800.5100000             -0.0002915733
   2736.9600000             -0.0006997388
   1329.9900000             -0.001601143
    662.6110000             -0.003420234
    337.4150000             -0.006691847
    175.2340000             -0.01125825
     92.6434000             -0.01427562
     49.7576000             -0.007134768
     27.0728000              0.01848341
     14.8610000              0.06724484
      8.1812100              0.08704356
      4.4794100              0.004998014
      2.4119100             -0.1238556
      1.2584400             -0.1989520
      0.6312340             -0.1759940
      0.2152970              0.0794452
      0.1185100              0.4024933
      0.0572090              0.5034063
Co    S
      1.61030E+08           -4.305752E-09
      2.87558E+07           -2.848385E-08
      6.42324E+06           -1.662977E-07
      1.72120E+06           -7.515459E-07
 533994.0000000             -2.944684E-06
 186194.0000000             -9.789564E-06
  71201.7000000             -3.050378E-05
  29276.2000000             -8.391909E-05
  12742.3000000             -0.0002292077
   5800.5100000             -0.0005578224
   2736.9600000             -0.001395052
   1329.9900000             -0.003045922
    662.6110000             -0.006873444
    337.4150000             -0.0125977
    175.2340000             -0.02314866
     92.6434000             -0.02548397
     49.7576000             -0.01958046
     27.0728000              0.04772897
     14.8610000              0.1149297
      8.1812100              0.2257042
      4.4794100             -0.06554148
      2.4119100             -0.2493425
      1.2584400             -0.6686389
      0.6312340              0.2041108
      0.2152970              1.2279070
      0.1185100              0.1857518
      0.0572090             -0.4763281
Co    S
      1.61030E+08           -7.60024E-09
      2.87558E+07           -5.006064E-08
      6.42324E+06           -2.938904E-07
      1.72120E+06           -1.319357E-06
 533994.0000000             -5.21171E-06
 186194.0000000             -1.715261E-05
  71201.7000000             -5.410968E-05
  29276.2000000             -0.0001466455
  12742.3000000             -0.000407724
   5800.5100000             -0.0009719138
   2736.9600000             -0.002489639
   1329.9900000             -0.005291021
    662.6110000             -0.01233031
    337.4150000             -0.02177919
    175.2340000             -0.04215306
     92.6434000             -0.04281763
     49.7576000             -0.04064818
     27.0728000              0.09666274
     14.8610000              0.1952451
      8.1812100              0.5139452
      4.4794100             -0.2545005
      2.4119100             -0.9219539
      1.2584400             -1.0086430
      0.6312340              2.2646620
      0.2152970              0.5803464
      0.1185100             -2.1053590
      0.0572090              0.08909444
Co    S
      1.61030E+08            9.197016E-09
      2.87558E+07            6.187033E-08
      6.42324E+06            3.535327E-07
      1.72120E+06            1.639554E-06
 533994.0000000              6.223594E-06
 186194.0000000              2.151491E-05
  71201.7000000              6.389719E-05
  29276.2000000              0.000186321
  12742.3000000              0.0004749694
   5800.5100000              0.001252974
   2736.9600000              0.002859209
   1329.9900000              0.006940624
    662.6110000              0.01389573
    337.4150000              0.02959972
    175.2340000              0.04516314
     92.6434000              0.06841808
     49.7576000              0.01839713
     27.0728000             -0.05186229
     14.8610000             -0.3974522
      8.1812100             -0.6606775
      4.4794100              0.5215581
      2.4119100              2.8381460
      1.2584400             -2.9706580
      0.6312340             -0.8507557
      0.2152970              4.2455590
      0.1185100             -2.9372930
      0.0572090             -1.1409540
Co    S
      1.61030E+08           -1.070534E-08
      2.87558E+07           -7.038714E-08
      6.42324E+06           -4.141923E-07
      1.72120E+06           -1.854049E-06
 533994.0000000             -7.350041E-06
 186194.0000000             -2.408411E-05
  71201.7000000             -7.638731E-05
  29276.2000000             -0.0002056945
  12742.3000000             -0.0005763721
   5800.5100000             -0.001362515
   2736.9600000             -0.003527424
   1329.9900000             -0.007424293
    662.6110000             -0.01758255
    337.4150000             -0.03075095
    175.2340000             -0.06133217
     92.6434000             -0.06129559
     49.7576000             -0.06543693
     27.0728000              0.1523938
     14.8610000              0.3484988
      8.1812100              1.6044000
      4.4794100             -3.2744650
      2.4119100             -1.4492520
      1.2584400              7.5471700
      0.6312340             -6.9914700
      0.2152970              3.1552020
      0.1185100              0.9784141
      0.0572090             -3.6433640
Co    S
      7.3519                 1.0
Co    S
      2.6228                 1.0
Co    S
      0.0271660              1.0000000
Co    P
  97512.6000000              0.0000020
  23815.1000000              0.0000210
   7540.4300000              0.0001300
   2854.0800000              0.0006050
   1217.6900000              0.0023310
    562.5150000              0.0078070
    274.2740000              0.0230890
    139.1140000              0.0599080
     72.8598000              0.1311200
     39.2448000              0.2283230
     21.6430000              0.3033890
     12.1149000              0.2735320
      6.7691200              0.1339910
      3.7052800              0.0255160
      1.9790100             -0.0006900
      1.0312700             -0.0018610
      0.5136090             -0.0007880
      0.2042640             -0.0000480
      0.0838780             -0.0000020
Co    P
  97512.6000000             -0.0000010
  23815.1000000             -0.0000070
   7540.4300000             -0.0000460
   2854.0800000             -0.0002150
   1217.6900000             -0.0008320
    562.5150000             -0.0028010
    274.2740000             -0.0083730
    139.1140000             -0.0221600
     72.8598000             -0.0500430
     39.2448000             -0.0905020
     21.6430000             -0.1266680
     12.1149000             -0.1113190
      6.7691200              0.0327050
      3.7052800              0.2641890
      1.9790100              0.4016030
      1.0312700              0.3244220
      0.5136090              0.1213180
      0.2042640              0.0108150
      0.0838780             -0.0002510
Co    P
  97512.6000000              0.0000010
  23815.1000000              0.0000050
   7540.4300000              0.0000350
   2854.0800000              0.0001480
   1217.6900000              0.0006340
    562.5150000              0.0019350
    274.2740000              0.0063830
    139.1140000              0.0153400
     72.8598000              0.0386540
     39.2448000              0.0615060
     21.6430000              0.1063540
     12.1149000              0.0726590
      6.7691200              0.0002670
      3.7052800             -0.4227860
      1.9790100             -0.4236170
      1.0312700              0.0611960
      0.5136090              1.1410350
      0.2042640             -0.0707680
      0.0838780             -0.7197110
Co    P
  97512.6000000              0.0000010
  23815.1000000              0.0000080
   7540.4300000              0.0000380
   2854.0800000              0.0002170
   1217.6900000              0.0006900
    562.5150000              0.0028260
    274.2740000              0.0069830
    139.1140000              0.0225410
     72.8598000              0.0413350
     39.2448000              0.0964860
     21.6430000              0.0963110
     12.1149000              0.2187580
      6.7691200             -0.1991620
      3.7052800             -0.7578960
      1.9790100             -0.4881940
      1.0312700              2.0656540
      0.5136090             -0.6901820
      0.2042640             -1.2064820
      0.0838780              1.0635780
Co    P
  97512.6000000              0.0000010
  23815.1000000              0.0000110
   7540.4300000              0.0000540
   2854.0800000              0.0003070
   1217.6900000              0.0009720
    562.5150000              0.0040050
    274.2740000              0.0099110
    139.1140000              0.0323030
     72.8598000              0.0594730
     39.2448000              0.1408890
     21.6430000              0.1393220
     12.1149000              0.4563840
      6.7691200             -0.9863130
      3.7052800             -1.4009310
      1.9790100              2.8281690
      1.0312700             -0.4544190
      0.5136090             -1.9262680
      0.2042640              2.0851170
      0.0838780             -0.9653770
Co    P
  23815.1000000              0.0000020
   7540.4300000              0.0000100
   2854.0800000              0.0000470
   1217.6900000              0.0001850
    562.5150000              0.0006130
    274.2740000              0.0018600
    139.1140000              0.0048640
     72.8598000              0.0111750
     39.2448000              0.0199110
     21.6430000              0.0288090
     12.1149000              0.0240900
      6.7691200             -0.0086610
      3.7052800             -0.0729530
      1.9790100             -0.1066760
      1.0312700             -0.1079120
      0.5136090              0.0396150
      0.2042640              0.3560400
      0.0838780              0.5249090
Co    P
  23815.1000000              0.0000030
   7540.4300000              0.0000160
   2854.0800000              0.0000730
   1217.6900000              0.0002900
    562.5150000              0.0009510
    274.2740000              0.0029220
    139.1140000              0.0075360
     72.8598000              0.0175660
     39.2448000              0.0307700
     21.6430000              0.0458540
     12.1149000              0.0367890
      6.7691200             -0.0107860
      3.7052800             -0.1231490
      1.9790100             -0.1705170
      1.0312700             -0.1595630
      0.5136090              0.1356510
      0.2042640              0.6254930
      0.0838780              0.3770670
Co    P
     11.1981                 1.0
Co    P
      3.6195                 1.0
Co    P
      0.0341420              1.0000000
Co    D
    495.2480000              0.0001950
    149.0380000              0.0018200
     57.8728000              0.0098600
     25.3796000              0.0354170
     11.8594000              0.0948820
      5.7963000              0.1886510
      2.8727500              0.2703950
      1.4078360              0.2963470
      0.6724070              0.2565590
      0.3088350              0.1640550
      0.1342970              0.0605670
Co    D
    495.2480000             -0.0002260
    149.0380000             -0.0021170
     57.8728000             -0.0115060
     25.3796000             -0.0416730
     11.8594000             -0.1148500
      5.7963000             -0.2300360
      2.8727500             -0.2787220
      1.4078360             -0.1090440
      0.6724070              0.2309180
      0.3088350              0.4341780
      0.1342970              0.3146810
Co    D
    495.2480000              0.0002980
    149.0380000              0.0028410
     57.8728000              0.0153800
     25.3796000              0.0569320
     11.8594000              0.1620180
      5.7963000              0.3251240
      2.8727500              0.2071440
      1.4078360             -0.3687400
      0.6724070             -0.5808490
      0.3088350              0.1267060
      0.1342970              0.5876060
Co    D
    495.2480000             -0.0004190
    149.0380000             -0.0040790
     57.8728000             -0.0218950
     25.3796000             -0.0830310
     11.8594000             -0.2568910
      5.7963000             -0.5037510
      2.8727500              0.3497610
      1.4078360              0.9348700
      0.6724070             -0.6383940
      0.3088350             -0.6372560
      0.1342970              0.6254560
Co    D
    495.2480000             -0.0006500
    149.0380000             -0.0046330
     57.8728000             -0.0325190
     25.3796000             -0.1010780
     11.8594000             -0.4650190
      5.7963000             -0.3186010
      2.8727500              1.5149910
      1.4078360             -0.7612670
      0.6724070             -0.9671680
      0.3088350              1.4433300
      0.1342970             -0.4742000
Co    D
      8.0232                 1.0
Co    D
      4.9182                 1.0
Co    D
      0.0536190              1.0000000
Co    F
     12.5751                 1.0
Co    F
      5.5772                 1.0
Co    F
      2.4735                 1.0
Co    F
      1.0970                 1.0
Co    F
      0.3726000              1.0000000
Co    G
      8.7634                 1.0
Co    G
      4.3101                 1.0
Co    G
      2.1198                 1.0
Co    G
      0.7941000              1.0000000
Co    H
      7.8826                 1.0
Co    H
      3.7674                 1.0
Co    H
      1.5513000              1.0000000
Co    I
      8.0070                 1.0
Co    I
      3.6950000              1.0000000
end
basis "Ni_cc-pwcv5z" 
#basis SET: (219s,134p,58d,5f,4g,3h,2i) -> [11s,10p,8d,5f,4g,3h,2i]
Ni    S
      1.68793E+08            9.544814E-08
      3.01369E+07            6.361561E-07
      6.73075E+06            3.680573E-06
      1.80337E+06            1.682095E-05
 559438.0000000              6.501477E-05
 195064.0000000              0.0002197031
  74600.7000000              0.0006699143
  30681.7000000              0.001884806
  13360.3000000              0.004971862
   6086.1600000              0.01239603
   2874.6200000              0.02919925
   1398.7200000              0.06417304
    697.9810000              0.1278067
    356.1100000              0.2183849
    185.3460000              0.2897629
     98.2221000              0.2502011
     52.8834000              0.1091251
     28.8424000              0.02418062
     15.8664000              0.02017083
      8.7493300              0.0158454
      4.7948200              0.004573713
      2.5812400              0.000536685
      1.3445000              0.0003285652
      0.6723740              0.0001056374
      0.2246400              1.152728E-05
      0.1201920             -4.982873E-06
      0.0581540              2.888491E-06
Ni    S
      1.68793E+08           -3.340483E-08
      3.01369E+07           -2.226369E-07
      6.73075E+06           -1.288145E-06
      1.80337E+06           -5.887072E-06
 559438.0000000             -2.275726E-05
 195064.0000000             -7.691942E-05
  74600.7000000             -0.000234707
  30681.7000000             -0.0006612896
  13360.3000000             -0.001750303
   6086.1600000             -0.004393952
   2874.6200000             -0.01049957
   1398.7200000             -0.02373066
    697.9810000             -0.04989615
    356.1100000             -0.09438365
    185.3460000             -0.1511186
     98.2221000             -0.1753137
     52.8834000             -0.07893694
     28.8424000              0.1862733
     15.8664000              0.4711517
      8.7493300              0.3940073
      4.7948200              0.1124290
      2.5812400              0.01373033
      1.3445000              0.005757963
      0.6723740              0.002067697
      0.2246400              0.0001166264
      0.1201920             -2.380527E-05
      0.0581540              6.345831E-06
Ni    S
      1.68793E+08            1.123242E-08
      3.01369E+07            7.487631E-08
      6.73075E+06            4.331184E-07
      1.80337E+06            1.980033E-06
 559438.0000000              7.651521E-06
 195064.0000000              2.587536E-05
  74600.7000000              7.89247E-05
  30681.7000000              0.0002226061
  13360.3000000              0.0005892384
   6086.1600000              0.001483283
   2874.6200000              0.003553731
   1398.7200000              0.00810015
    697.9810000              0.01724042
    356.1100000              0.03348912
    185.3460000              0.05585983
     98.2221000              0.06942521
     52.8834000              0.03279768
     28.8424000             -0.09364737
     15.8664000             -0.3127333
      8.7493300             -0.3726099
      4.7948200             -0.01765121
      2.5812400              0.4580760
      1.3445000              0.5616617
      0.6723740              0.2239313
      0.2246400              0.01414205
      0.1201920             -0.0004402952
      0.0581540              0.007001775
Ni    S
      1.68793E+08           -2.340836E-09
      3.01369E+07           -1.560568E-08
      6.73075E+06           -9.025955E-08
      1.80337E+06           -4.126875E-07
 559438.0000000             -1.594488E-06
 195064.0000000             -5.393313E-06
  74600.7000000             -1.644642E-05
  30681.7000000             -4.640303E-05
  13360.3000000             -0.0001227884
   6086.1600000             -0.0003092679
   2874.6200000             -0.0007407537
   1398.7200000             -0.00169022
    697.9810000             -0.003598265
    356.1100000             -0.007007654
    185.3460000             -0.01171488
     98.2221000             -0.01467085
     52.8834000             -0.006949957
     28.8424000              0.02016183
     15.8664000              0.07054184
      8.7493300              0.08743265
      4.7948200              0.0008925969
      2.5812400             -0.1284879
      1.3445000             -0.1992698
      0.6723740             -0.1687038
      0.2246400              0.09663179
      0.1201920              0.4091717
      0.0581540              0.4865605
Ni    S
      1.68793E+08           -4.519782E-09
      3.01369E+07           -2.990036E-08
      6.73075E+06           -1.74651E-07
      1.80337E+06           -7.891321E-07
 559438.0000000             -3.093527E-06
 195064.0000000             -1.027782E-05
  74600.7000000             -3.203877E-05
  30681.7000000             -8.801093E-05
  13360.3000000             -0.0002404162
   6086.1600000             -0.0005834537
   2874.6200000             -0.00145867
   1398.7200000             -0.003169439
    697.9810000             -0.007146736
    356.1100000             -0.01299317
    185.3460000             -0.02384859
     98.2221000             -0.02566345
     52.8834000             -0.01953197
     28.8424000              0.05137546
     15.8664000              0.1179712
      8.7493300              0.2305182
      4.7948200             -0.07602184
      2.5812400             -0.2736418
      1.3445000             -0.6668219
      0.6723740              0.2779595
      0.2246400              1.1848110
      0.1201920              0.1453091
      0.0581540             -0.4475209
Ni    S
      1.68793E+08           -7.967881E-09
      3.01369E+07           -5.251486E-08
      6.73075E+06           -3.082074E-07
      1.80337E+06           -1.384629E-06
 559438.0000000             -5.466127E-06
 195064.0000000             -1.800365E-05
  74600.7000000             -5.672168E-05
  30681.7000000             -0.0001538124
  13360.3000000             -0.0004266789
   6086.1600000             -0.001017047
   2874.6200000             -0.002596287
   1398.7200000             -0.005509995
    697.9810000             -0.01278063
    356.1100000             -0.02249312
    185.3460000             -0.04323339
     98.2221000             -0.04327035
     52.8834000             -0.04001807
     28.8424000              0.1014123
     15.8664000              0.1995643
      8.7493300              0.5337974
      4.7948200             -0.2848026
      2.5812400             -1.0086260
      1.3445000             -0.8589707
      0.6723740              2.2571350
      0.2246400              0.3158366
      0.1201920             -1.8931340
      0.0581540              0.1382195
Ni    S
      1.68793E+08            9.963678E-09
      3.01369E+07            6.665402E-08
      6.73075E+06            3.837692E-07
      1.80337E+06            1.764347E-06
 559438.0000000              6.771079E-06
 195064.0000000              2.309426E-05
  74600.7000000              6.971023E-05
  30681.7000000              0.0001991457
  13360.3000000              0.0005193445
   6086.1600000              0.001331023
   2874.6200000              0.003128397
   1398.7200000              0.007307415
    697.9810000              0.01519845
    356.1100000              0.03067699
    185.3460000              0.04966778
     98.2221000              0.06716041
     52.8834000              0.02675145
     28.8424000             -0.07690265
     15.8664000             -0.3660499
      8.7493300             -0.8930662
      4.7948200              0.9868359
      2.5812400              2.7140040
      1.3445000             -3.5491840
      0.6723740             -0.1082087
      0.2246400              3.7403580
      0.1201920             -2.9469910
      0.0581540             -0.7564774
Ni    S
      1.68793E+08            1.108501E-08
      3.01369E+07            7.142717E-08
      6.73075E+06            4.312448E-07
      1.80337E+06            1.872599E-06
 559438.0000000              7.704611E-06
 195064.0000000              2.410281E-05
  74600.7000000              8.084296E-05
  30681.7000000              0.0002030273
  13360.3000000              0.0006163052
   6086.1600000              0.00132153
   2874.6200000              0.003807283
   1398.7200000              0.007035083
    697.9810000              0.01919484
    356.1100000              0.02784042
    185.3460000              0.06926812
     98.2221000              0.04334989
     52.8834000              0.1003238
     28.8424000             -0.2282821
     15.8664000             -0.1788302
      8.7493300             -2.1632840
      4.7948200              4.6768300
      2.5812400             -0.5082154
      1.3445000             -6.1630500
      0.6723740              6.7552350
      0.2246400             -4.1776870
      0.1201920              0.6315692
      0.0581540              2.6580060
Ni    S
      8.2682                 1.0
Ni    S
      2.9925                 1.0
Ni    S
      0.0277230              1.0000000
Ni    P
 104158.0000000              0.0000020
  25289.1000000              0.0000220
   7974.0600000              0.0001360
   3013.0100000              0.0006310
   1286.4100000              0.0024210
    595.8550000              0.0080490
    291.6560000              0.0236160
    148.5440000              0.0608610
     78.0737000              0.1326030
     42.1478000              0.2304730
     23.2599000              0.3051620
     13.0121000              0.2713690
      7.2639900              0.1296230
      3.9735700              0.0240140
      2.1215600             -0.0003590
      1.1051500             -0.0014620
      0.5499500             -0.0006140
      0.2107400             -0.0000300
      0.0847310             -0.0000010
Ni    P
 104158.0000000             -0.0000010
  25289.1000000             -0.0000080
   7974.0600000             -0.0000490
   3013.0100000             -0.0002270
   1286.4100000             -0.0008730
    595.8550000             -0.0029190
    291.6560000             -0.0086590
    148.5440000             -0.0227740
     78.0737000             -0.0512130
     42.1478000             -0.0925330
     23.2599000             -0.1290760
     13.0121000             -0.1101780
      7.2639900              0.0409760
      3.9735700              0.2728100
      2.1215600              0.4016420
      1.1051500              0.3161390
      0.5499500              0.1168000
      0.2107400              0.0100110
      0.0847310             -0.0004900
Ni    P
 104158.0000000              0.0000010
  25289.1000000              0.0000050
   7974.0600000              0.0000380
   3013.0100000              0.0001590
   1286.4100000              0.0006800
    595.8550000              0.0020540
    291.6560000              0.0067570
    148.5440000              0.0160650
     78.0737000              0.0405400
     42.1478000              0.0640660
     23.2599000              0.1113860
     13.0121000              0.0739190
      7.2639900             -0.0105620
      3.9735700             -0.4813110
      2.1215600             -0.3964750
      1.1051500              0.2149210
      0.5499500              1.0646580
      0.2107400             -0.2559500
      0.0847310             -0.6598570
Ni    P
 104158.0000000              0.0000010
  25289.1000000              0.0000080
   7974.0600000              0.0000420
   3013.0100000              0.0002340
   1286.4100000              0.0007520
    595.8550000              0.0030100
    291.6560000              0.0074940
    148.5440000              0.0237130
     78.0737000              0.0440050
     42.1478000              0.1004120
     23.2599000              0.1054620
     13.0121000              0.2291670
      7.2639900             -0.2527370
      3.9735700             -0.8566420
      2.1215600             -0.2477960
      1.1051500              2.1207050
      0.5499500             -1.0861120
      0.2107400             -0.8818430
      0.0847310              1.0128000
Ni    P
 104158.0000000              0.0000010
  25289.1000000              0.0000120
   7974.0600000              0.0000570
   3013.0100000              0.0003470
   1286.4100000              0.0010250
    595.8550000              0.0044820
    291.6560000              0.0102930
    148.5440000              0.0357430
     78.0737000              0.0609110
     42.1478000              0.1565060
     23.2599000              0.1436090
     13.0121000              0.5343820
      7.2639900             -1.4083180
      3.9735700             -0.9573860
      2.1215600              3.1038920
      1.1051500             -1.3693890
      0.5499500             -1.1437640
      0.2107400              1.7910530
      0.0847310             -1.0027610
Ni    P
  25289.1000000              0.0000020
   7974.0600000              0.0000100
   3013.0100000              0.0000450
   1286.4100000              0.0001770
    595.8550000              0.0005840
    291.6560000              0.0017620
    148.5440000              0.0045630
     78.0737000              0.0104840
     42.1478000              0.0185790
     23.2599000              0.0269710
     13.0121000              0.0214740
      7.2639900             -0.0095980
      3.9735700             -0.0691480
      2.1215600             -0.0955710
      1.1051500             -0.0989250
      0.5499500              0.0364500
      0.2107400              0.3447120
      0.0847310              0.5277500
Ni    P
  25289.1000000              0.0000030
   7974.0600000              0.0000200
   3013.0100000              0.0000900
   1286.4100000              0.0003670
    595.8550000              0.0011620
    291.6560000              0.0036420
    148.5440000              0.0090810
     78.0737000              0.0217340
     42.1478000              0.0366690
     23.2599000              0.0574590
     13.0121000              0.0404440
      7.2639900             -0.0122870
      3.9735700             -0.1720000
      2.1215600             -0.1964310
      1.1051500             -0.1609770
      0.5499500              0.2715720
      0.2107400              0.6358310
      0.0847310              0.2721880
Ni    P
     12.4234                 1.0
Ni    P
      4.0755                 1.0
Ni    P
      0.0339020              1.0000000
Ni    D
    568.8665000              0.0001770
    171.2501000              0.0016650
     66.4919500              0.0091530
     29.2054100              0.0334810
     13.6784800              0.0909020
      6.6978800              0.1833980
      3.3258500              0.2663610
      1.6314800              0.2945410
      0.7790140              0.2588860
      0.3575460              0.1730030
      0.1551630              0.0702410
Ni    D
    568.8665000             -0.0001870
    171.2501000             -0.0017630
     66.4919500             -0.0097180
     29.2054100             -0.0357770
     13.6784800             -0.0994580
      6.6978800             -0.2028120
      3.3258500             -0.2604240
      1.6314800             -0.1462650
      0.7790140              0.1412140
      0.3575460              0.4004590
      0.1551630              0.4007580
Ni    D
    568.8665000             -0.0002700
    171.2501000             -0.0025840
     66.4919500             -0.0142000
     29.2054100             -0.0531960
     13.6784800             -0.1524600
      6.6978800             -0.3182580
      3.3258500             -0.2569500
      1.6314800              0.2828580
      0.7790140              0.6045360
      0.3575460              0.0384770
      0.1551630             -0.5667860
Ni    D
    568.8665000             -0.0003750
    171.2501000             -0.0038030
     66.4919500             -0.0201480
     29.2054100             -0.0793150
     13.6784800             -0.2408380
      6.6978800             -0.5200670
      3.3258500              0.2694850
      1.6314800              0.9484220
      0.7790140             -0.4613840
      0.3575460             -0.7282930
      0.1551630              0.4956350
Ni    D
    568.8665000             -0.0005660
    171.2501000             -0.0042150
     66.4919500             -0.0290040
     29.2054100             -0.0931450
     13.6784800             -0.4227470
      6.6978800             -0.4171620
      3.3258500              1.4691090
      1.6314800             -0.5187500
      0.7790140             -1.1373440
      0.3575460              1.3353250
      0.1551630             -0.2368740
Ni    D
      8.9439                 1.0
Ni    D
      5.5224                 1.0
Ni    D
      0.0614020              1.0000000
Ni    F
     14.2413                 1.0
Ni    F
      6.3783                 1.0
Ni    F
      2.8566                 1.0
Ni    F
      1.2794                 1.0
Ni    F
      0.4437000              1.0000000
Ni    G
     10.2136                 1.0
Ni    G
      5.0730                 1.0
Ni    G
      2.5197                 1.0
Ni    G
      0.9633000              1.0000000
Ni    H
      8.9661                 1.0
Ni    H
      4.3556                 1.0
Ni    H
      1.8526000              1.0000000
Ni    I
      9.0151                 1.0
Ni    I
      4.3549000              1.0000000
end
basis "Cu_cc-pwcv5z" 
#basis SET: (219s,134p,58d,5f,4g,3h,2i) -> [11s,10p,8d,5f,4g,3h,2i]
Cu    S
      1.93188E+08            8.189248E-08
      3.39452E+07            5.579701E-07
      7.51046E+06            3.254124E-06
      2.00199E+06            1.494164E-05
 619378.0000000              5.78762E-05
 215606.0000000              0.0001959305
  82327.1000000              0.0005988528
  33788.4000000              0.0016910
  14670.0000000              0.004482558
   6657.4400000              0.01124215
   3130.2600000              0.02664563
   1515.6100000              0.05887107
    752.5880000              0.1175196
    382.2490000              0.1999504
    198.2370000              0.2605024
    104.8100000              0.2154194
     56.3885000              0.09248247
     30.7830000              0.05710446
     16.9770000              0.1024003
      9.3972500              0.08323474
      5.1723800              0.02348642
      2.7953500              0.001775061
      1.4589000             -4.661882E-05
      0.7287110             -8.666474E-05
      0.2376420             -1.068949E-06
      0.1278210              1.298399E-07
      0.0618150             -5.102737E-07
Cu    S
      1.93188E+08           -4.611013E-08
      3.39452E+07           -3.141616E-07
      7.51046E+06           -1.832284E-06
      2.00199E+06           -8.412987E-06
 619378.0000000             -3.259135E-05
 215606.0000000             -0.0001103469
  82327.1000000             -0.000337451
  33788.4000000             -0.0009538171
  14670.0000000             -0.002534704
   6657.4400000             -0.006388537
   3130.2600000             -0.01530315
   1515.6100000             -0.03452258
    752.5880000             -0.07182859
    382.2490000             -0.1324045
    198.2370000             -0.2017660
    104.8100000             -0.2178903
     56.3885000             -0.09441542
     30.7830000              0.1874571
     16.9770000              0.4663918
      9.3972500              0.3836915
      5.1723800              0.1079329
      2.7953500              0.007742901
      1.4589000             -0.001244704
      0.7287110             -0.0007418943
      0.2376420             -4.73181E-05
      0.1278210              2.312508E-05
      0.0618150             -1.379905E-05
Cu    S
      1.93188E+08            1.01842E-08
      3.39452E+07            6.939965E-08
      7.51046E+06            4.046744E-07
      2.00199E+06            1.858592E-06
 619378.0000000              7.198169E-06
 215606.0000000              2.43847E-05
  82327.1000000              7.456294E-05
  33788.4000000              0.0002110638
  14670.0000000              0.0005615915
   6657.4400000              0.001422427
   3130.2600000              0.003432886
   1515.6100000              0.007881403
    752.5880000              0.01689595
    382.2490000              0.03299686
    198.2370000              0.0552177
    104.8100000              0.06840131
     56.3885000              0.03122147
     30.7830000             -0.09635215
     16.9770000             -0.3138457
      9.3972500             -0.3649343
      5.1723800             -0.008879992
      2.7953500              0.4608336
      1.4589000              0.5618870
      0.7287110              0.2229206
      0.2376420              0.01340137
      0.1278210             -0.003370102
      0.0618150              0.00306508
Cu    S
      1.93188E+08           -2.054681E-09
      3.39452E+07           -1.400309E-08
      7.51046E+06           -8.164118E-08
      2.00199E+06           -3.75028E-07
 619378.0000000             -1.452141E-06
 215606.0000000             -4.920629E-06
  82327.1000000             -1.504137E-05
  33788.4000000             -4.259474E-05
  14670.0000000             -0.0001132857
   6657.4400000             -0.0002871116
   3130.2600000             -0.0006925917
   1515.6100000             -0.001591691
    752.5880000             -0.003411485
    382.2490000             -0.006677064
    198.2370000             -0.01118545
    104.8100000             -0.01394792
     56.3885000             -0.006364561
     30.7830000              0.01991809
     16.9770000              0.06774441
      9.3972500              0.08134341
      5.1723800             -0.0008995035
      2.7953500             -0.1219713
      1.4589000             -0.1883443
      0.7287110             -0.1623329
      0.2376420              0.09426046
      0.1278210              0.3962220
      0.0618150              0.4850819
Cu    S
      1.93188E+08            3.816605E-09
      3.39452E+07            2.582606E-08
      7.51046E+06            1.519524E-07
      2.00199E+06            6.903629E-07
 619378.0000000              2.709545E-06
 215606.0000000              9.02917E-06
  82327.1000000              2.817161E-05
  33788.4000000              7.782505E-05
  14670.0000000              0.0002131374
   6657.4400000              0.0005221431
   3130.2600000              0.001309502
   1515.6100000              0.002879448
    752.5880000              0.006499505
    382.2490000              0.01195541
    198.2370000              0.0218018
    104.8100000              0.02363852
     56.3885000              0.01706798
     30.7830000             -0.04783859
     16.9770000             -0.1097524
      9.3972500             -0.2027580
      5.1723800              0.07260363
      2.7953500              0.2307255
      1.4589000              0.5765951
      0.7287110             -0.1570176
      0.2376420             -1.0919780
      0.1278210             -0.2691323
      0.0618150              0.3516467
Cu    S
      1.93188E+08           -7.75724E-09
      3.39452E+07           -5.227556E-08
      7.51046E+06           -3.091952E-07
      2.00199E+06           -1.39586E-06
 619378.0000000             -5.521331E-06
 215606.0000000             -1.822235E-05
  82327.1000000             -5.752983E-05
  33788.4000000             -0.0001566716
  14670.0000000             -0.0004363848
   6657.4400000             -0.001048344
   3130.2600000             -0.002689174
   1515.6100000             -0.005765512
    752.5880000             -0.01341487
    382.2490000             -0.02383053
    198.2370000             -0.04568414
    104.8100000             -0.04575431
     56.3885000             -0.04125506
     30.7830000              0.1103493
     16.9770000              0.2148842
      9.3972500              0.5522145
      5.1723800             -0.3395265
      2.7953500             -0.9771007
      1.4589000             -0.8808593
      0.7287110              2.1966870
      0.2376420              0.4386372
      0.1278210             -1.8178740
      0.0618150              0.003019659
Cu    S
      1.93188E+08            9.028583E-09
      3.39452E+07            6.205817E-08
      7.51046E+06            3.578757E-07
      2.00199E+06            1.665776E-06
 619378.0000000              6.346135E-06
 215606.0000000              2.1939E-05
  82327.1000000              6.543424E-05
  33788.4000000              0.0001908891
  14670.0000000              0.0004902082
   6657.4400000              0.001294337
   3130.2600000              0.002982099
   1515.6100000              0.007234214
    752.5880000              0.01461464
    382.2490000              0.03095278
    198.2370000              0.04734078
    104.8100000              0.07000877
     56.3885000              0.01629399
     30.7830000             -0.0583935
     16.9770000             -0.4104935
      9.3972500             -0.7896262
      5.1723800              0.9308371
      2.7953500              2.5330430
      1.4589000             -3.1586610
      0.7287110             -0.4007620
      0.2376420              3.8540990
      0.1278210             -2.8874570
      0.0618150             -0.9069599
Cu    S
      1.93188E+08            1.07597E-08
      3.39452E+07            7.162208E-08
      7.51046E+06            4.30389E-07
      2.00199E+06            1.905813E-06
 619378.0000000              7.718964E-06
 215606.0000000              2.473676E-05
  82327.1000000              8.09436E-05
  33788.4000000              0.0002110522
  14670.0000000              0.0006186246
   6657.4400000              0.00140125
   3130.2600000              0.003844742
   1515.6100000              0.00764981
    752.5880000              0.01947297
    382.2490000              0.03126618
    198.2370000              0.06932423
    104.8100000              0.05504615
     56.3885000              0.08460341
     30.7830000             -0.1993583
     16.9770000             -0.3185230
      9.3972500             -2.0181030
      5.1723800              4.6893680
      2.7953500             -0.5933257
      1.4589000             -5.9757640
      0.7287110              6.3988290
      0.2376420             -3.6822160
      0.1278210              0.2025323
      0.0618150              2.7822760
Cu    S
      9.3455                 1.0
Cu    S
      3.3051                 1.0
Cu    S
      0.0293030              1.0000000
Cu    P
 110294.0000000              0.0000020
  26939.1000000              0.0000220
   8550.7100000              0.0001360
   3246.1900000              0.0006300
   1388.4600000              0.0024180
    642.4740000              0.0080870
    313.5700000              0.0239050
    159.1610000              0.0619710
     83.4414000              0.1350660
     45.0196000              0.2334730
     24.8894000              0.3054990
     13.9731000              0.2676760
      7.8257100              0.1264990
      4.2863200              0.0230210
      2.2903400             -0.0006410
      1.1934200             -0.0016270
      0.5937650             -0.0006570
      0.2239870             -0.0000330
      0.0890260             -0.0000010
Cu    P
 110294.0000000             -0.0000010
  26939.1000000             -0.0000080
   8550.7100000             -0.0000490
   3246.1900000             -0.0002280
   1388.4600000             -0.0008780
    642.4740000             -0.0029530
    313.5700000             -0.0088260
    159.1610000             -0.0233640
     83.4414000             -0.0525890
     45.0196000             -0.0946250
     24.8894000             -0.1304500
     13.9731000             -0.1081600
      7.8257100              0.0466870
      4.2863200              0.2780770
      2.2903400              0.4021830
      1.1934200              0.3112960
      0.5937650              0.1125510
      0.2239870              0.0093970
      0.0890260             -0.0005000
Cu    P
 110294.0000000              0.0000010
  26939.1000000              0.0000060
   8550.7100000              0.0000390
   3246.1900000              0.0001650
   1388.4600000              0.0007040
    642.4740000              0.0021380
    313.5700000              0.0070800
    159.1610000              0.0169610
     83.4414000              0.0427860
     45.0196000              0.0672780
     24.8894000              0.1165020
     13.9731000              0.0755100
      7.8257100             -0.0166890
      4.2863200             -0.5141990
      2.2903400             -0.3794090
      1.1934200              0.2313430
      0.5937650              1.0614750
      0.2239870             -0.2667340
      0.0890260             -0.6195930
Cu    P
 110294.0000000              0.0000010
  26939.1000000              0.0000080
   8550.7100000              0.0000410
   3246.1900000              0.0002330
   1388.4600000              0.0007420
    642.4740000              0.0030220
    313.5700000              0.0075130
    159.1610000              0.0241350
     83.4414000              0.0443790
     45.0196000              0.1022350
     24.8894000              0.1040660
     13.9731000              0.2338940
      7.8257100             -0.2861980
      4.2863200             -0.8434390
      2.2903400             -0.1843620
      1.1934200              2.0703390
      0.5937650             -1.1076600
      0.2239870             -0.8528460
      0.0890260              1.0166690
Cu    P
 110294.0000000              0.0000010
  26939.1000000              0.0000110
   8550.7100000              0.0000600
   3246.1900000              0.0003200
   1388.4600000              0.0010770
    642.4740000              0.0041610
    313.5700000              0.0109750
    159.1610000              0.0335730
     83.4414000              0.0662350
     45.0196000              0.1425030
     24.8894000              0.1738220
     13.9731000              0.4655980
      7.8257100             -1.3584250
      4.2863200             -0.8867940
      2.2903400              2.9226280
      1.1934200             -1.1758410
      0.5937650             -1.2549040
      0.2239870              1.8420450
      0.0890260             -1.0455610
Cu    P
  26939.1000000              0.0000020
   8550.7100000              0.0000100
   3246.1900000              0.0000440
   1388.4600000              0.0001720
    642.4740000              0.0005700
    313.5700000              0.0017360
    159.1610000              0.0045200
     83.4414000              0.0104050
     45.0196000              0.0183320
     24.8894000              0.0263810
     13.9731000              0.0201860
      7.8257100             -0.0102500
      4.2863200             -0.0680540
      2.2903400             -0.0914970
      1.1934200             -0.0949500
      0.5937650              0.0364060
      0.2239870              0.3398340
      0.0890260              0.5281230
Cu    P
  26939.1000000              0.0000030
   8550.7100000              0.0000190
   3246.1900000              0.0000840
   1388.4600000              0.0003430
    642.4740000              0.0010900
    313.5700000              0.0034460
    159.1610000              0.0086380
     83.4414000              0.0207180
     45.0196000              0.0347140
     24.8894000              0.0541220
     13.9731000              0.0363680
      7.8257100             -0.0125560
      4.2863200             -0.1622150
      2.2903400             -0.1771880
      1.1934200             -0.1563550
      0.5937650              0.2360190
      0.2239870              0.6412110
      0.0890260              0.2955020
Cu    P
     14.0035                 1.0
Cu    P
      4.5398                 1.0
Cu    P
      0.0352130              1.0000000
Cu    D
    732.8930000              0.0001250
    220.7530000              0.0011980
     85.6268000              0.0068360
     37.7178000              0.0262600
     17.7647000              0.0742730
      8.7641500              0.1588570
      4.4178660              0.2458580
      2.2180390              0.2865090
      1.0935310              0.2665050
      0.5230910              0.1965650
      0.2384750              0.1005970
Cu    D
    732.8930000             -0.0001550
    220.7530000             -0.0014880
     85.6268000             -0.0085270
     37.7178000             -0.0329550
     17.7647000             -0.0955650
      8.7641500             -0.2099910
      4.4178660             -0.2920560
      2.2180390             -0.1738440
      1.0935310              0.1426460
      0.5230910              0.3835540
      0.2384750              0.3616940
Cu    D
    732.8930000              0.0001840
    220.7530000              0.0018070
     85.6268000              0.0102770
     37.7178000              0.0404270
     17.7647000              0.1197510
      8.7641500              0.2799060
      4.4178660              0.2845770
      2.2180390             -0.2072750
      1.0935310             -0.5788020
      0.5230910             -0.1622250
      0.2384750              0.5200430
Cu    D
    732.8930000             -0.0002570
    220.7530000             -0.0027730
     85.6268000             -0.0147450
     37.7178000             -0.0622900
     17.7647000             -0.1862120
      8.7641500             -0.4970340
      4.4178660              0.0051970
      2.2180390              0.9952550
      1.0935310             -0.0964500
      0.5230910             -0.9197540
      0.2384750              0.2428820
Cu    D
    732.8930000             -0.0003830
    220.7530000             -0.0032850
     85.6268000             -0.0211250
     37.7178000             -0.0767360
     17.7647000             -0.3193880
      8.7641500             -0.6162490
      4.4178660              1.2229320
      2.2180390              0.2286340
      1.0935310             -1.6101430
      0.5230910              1.0269660
      0.2384750              0.3819150
Cu    D
     10.8534                 1.0
Cu    D
      6.4396                 1.0
Cu    D
      0.1000260              1.0000000
Cu    F
     16.4096                 1.0
Cu    F
      7.3000                 1.0
Cu    F
      3.2475                 1.0
Cu    F
      1.4447                 1.0
Cu    F
      0.5005000              1.0000000
Cu    G
     11.5984                 1.0
Cu    G
      5.7591                 1.0
Cu    G
      2.8596                 1.0
Cu    G
      1.1042000              1.0000000
Cu    H
     10.0319                 1.0
Cu    H
      4.8836                 1.0
Cu    H
      2.1024000              1.0000000
Cu    I
      9.9825                 1.0
Cu    I
      4.9428000              1.0000000
end
basis "Zn_cc-pwcv5z" 
#basis SET: (219s,134p,58d,5f,4g,3h,2i) -> [11s,10p,8d,5f,4g,3h,2i]
Zn    S
      1.87413E+08            1.009014E-07
      3.35127E+07            6.704747E-07
      7.50475E+06            3.863166E-06
      2.01787E+06            1.756108E-05
 628578.0000000              6.747146E-05
 220163.0000000              0.0002265652
  84595.2000000              0.0006864596
  34955.5000000              0.001919556
  15290.3000000              0.005035036
   6994.9300000              0.01249183
   3316.5900000              0.02931174
   1619.2400000              0.06427367
    810.3430000              0.1280292
    414.3930000              0.2196143
    216.0580000              0.2943285
    114.6350000              0.2592639
     61.7623000              0.1154133
     33.6924000              0.01748179
     18.5315000              0.00123447
     10.2144000              1.030887E-05
      5.5942800              5.407386E-05
      3.0096800             -9.020925E-05
      1.5668400              1.229205E-05
      0.7814370             -1.291299E-05
      0.2581180              5.053007E-06
      0.1385560             -4.083295E-06
      0.0661710              1.77407E-06
Zn    S
      1.87413E+08           -3.115741E-08
      3.35127E+07           -2.070312E-07
      7.50475E+06           -1.192935E-06
      2.01787E+06           -5.422776E-06
 628578.0000000             -2.083826E-05
 220163.0000000             -6.998988E-05
  84595.2000000             -0.0002122319
  34955.5000000             -0.0005944122
  15290.3000000             -0.001565121
   6994.9300000             -0.003912825
   3316.5900000             -0.009329174
   1619.2400000             -0.02109918
    810.3430000             -0.04460857
    414.3930000             -0.08543854
    216.0580000             -0.1398518
    114.6350000             -0.1674907
     61.7623000             -0.07864897
     33.6924000              0.1871467
     18.5315000              0.4773740
     10.2144000              0.3974608
      5.5942800              0.1119124
      3.0096800              0.01021018
      1.5668400              0.001535466
      0.7814370              0.0003513273
      0.2581180              8.700326E-06
      0.1385560              8.085928E-06
      0.0661710             -4.465779E-06
Zn    S
      1.87413E+08            1.176468E-08
      3.35127E+07            7.81863E-08
      7.50475E+06            4.504171E-07
      2.01787E+06            2.048043E-06
 628578.0000000              7.867565E-06
 220163.0000000              2.643679E-05
  84595.2000000              8.013127E-05
  34955.5000000              0.0002246143
  15290.3000000              0.0005912514
   6994.9300000              0.00148082
   3316.5900000              0.003533956
   1619.2400000              0.00803224
    810.3430000              0.01708455
    414.3930000              0.03323558
    216.0580000              0.05573178
    114.6350000              0.07004526
     61.7623000              0.03460894
     33.6924000             -0.09417457
     18.5315000             -0.3185785
     10.2144000             -0.3740136
      5.5942800             -0.007223424
      3.0096800              0.4699051
      1.5668400              0.5650018
      0.7814370              0.2128446
      0.2581180              0.01020773
      0.1385560             -0.003216647
      0.0661710              0.0009813901
Zn    S
      1.87413E+08           -2.356493E-09
      3.35127E+07           -1.565939E-08
      7.50475E+06           -9.022205E-08
      2.01787E+06           -4.101783E-07
 628578.0000000             -1.575992E-06
 220163.0000000             -5.294514E-06
  84595.2000000             -1.605261E-05
  34955.5000000             -4.498259E-05
  15290.3000000             -0.0001184624
   6994.9300000             -0.0002965895
   3316.5900000             -0.0007083659
   1619.2400000             -0.001609791
    810.3430000             -0.003429679
    414.3930000             -0.00667783
    216.0580000             -0.01124816
    114.6350000             -0.01419067
     61.7623000             -0.007119783
     33.6924000              0.01964233
     18.5315000              0.06866033
     10.2144000              0.08451691
      5.5942800             -0.002558593
      3.0096800             -0.1246873
      1.5668400             -0.1981732
      0.7814370             -0.1626983
      0.2581180              0.1212677
      0.1385560              0.4147624
      0.0661710              0.4840872
Zn    S
      1.87413E+08            6.708866E-09
      3.35127E+07            4.41662E-08
      7.50475E+06            2.575365E-07
      2.01787E+06            1.154012E-06
 628578.0000000              4.513571E-06
 220163.0000000              1.483194E-05
  84595.2000000              4.621034E-05
  34955.5000000              0.0001252604
  15290.3000000              0.0003431994
   6994.9300000              0.000820361
   3316.5900000              0.002066898
   1619.2400000              0.004419789
    810.3430000              0.01011367
    414.3930000              0.01809426
    216.0580000              0.03416662
    114.6350000              0.03593265
     61.7623000              0.03074112
     33.6924000             -0.07752629
     18.5315000             -0.1679194
     10.2144000             -0.3562499
      5.5942800              0.1776982
      3.0096800              0.4749129
      1.5668400              0.8521909
      0.7814370             -0.7724873
      0.2581180             -1.4319140
      0.1385560              0.4991946
      0.0661710              0.5499585
Zn    S
      1.87413E+08           -9.317884E-09
      3.35127E+07           -6.155607E-08
      7.50475E+06           -3.573416E-07
      2.01787E+06           -1.609881E-06
 628578.0000000             -6.255093E-06
 220163.0000000             -2.072444E-05
  84595.2000000             -6.392044E-05
  34955.5000000             -0.0001754269
  15290.3000000             -0.0004736661
   6994.9300000             -0.001152085
   3316.5900000             -0.002846504
   1619.2400000             -0.006230027
    810.3430000             -0.01389848
    414.3930000             -0.02572496
    216.0580000             -0.04674972
    114.6350000             -0.05304136
     61.7623000             -0.03846676
     33.6924000              0.09700309
     18.5315000              0.2750132
     10.2144000              0.6149135
      5.5942800             -0.4648242
      3.0096800             -1.4688170
      1.5668400             -0.06123386
      0.7814370              2.5333260
      0.2581180             -1.4838310
      0.1385560             -0.9440243
      0.0661710              0.9934343
Zn    S
      1.87413E+08            1.206066E-08
      3.35127E+07            8.110169E-08
      7.50475E+06            4.60205E-07
      2.01787E+06            2.130959E-06
 628578.0000000              8.004527E-06
 220163.0000000              2.765382E-05
  84595.2000000              8.09931E-05
  34955.5000000              0.000236727
  15290.3000000              0.0005928609
   6994.9300000              0.001574959
   3316.5900000              0.003517111
   1619.2400000              0.008651605
    810.3430000              0.01689628
    414.3930000              0.03686833
    216.0580000              0.05445003
    114.6350000              0.08690671
     61.7623000              0.01740443
     33.6924000             -0.05212573
     18.5315000             -0.5511726
     10.2144000             -1.1543500
      5.5942800              2.1468370
      3.0096800              2.4632420
      1.5668400             -6.0927930
      0.7814370              3.2604830
      0.2581180              2.0784120
      0.1385560             -4.0424470
      0.0661710              1.7426680
Zn    S
      1.87413E+08            1.288013E-08
      3.35127E+07            7.963494E-08
      7.50475E+06            5.028311E-07
      2.01787E+06            2.04487E-06
 628578.0000000              8.997462E-06
 220163.0000000              2.548089E-05
  84595.2000000              9.502563E-05
  34955.5000000              0.000205759
  15290.3000000              0.000732222
   6994.9300000              0.001279062
   3316.5900000              0.004583798
   1619.2400000              0.006488435
    810.3430000              0.02369604
    414.3930000              0.02360841
    216.0580000              0.09186954
    114.6350000              0.01584593
     61.7623000              0.1832209
     33.6924000             -0.3620858
     18.5315000             -0.2562035
     10.2144000             -2.6784160
      5.5942800              8.3186980
      3.0096800             -7.7549970
      1.5668400              0.5798922
      0.7814370              4.4806790
      0.2581180             -7.9856680
      0.1385560              7.9331330
      0.0661710             -2.6833390
Zn    S
     10.4508                 1.0
Zn    S
      3.9198                 1.0
Zn    S
      0.0309860              1.0000000
Zn    P
 110349.0000000              0.0000030
  26971.3000000              0.0000250
   8560.0700000              0.0001540
   3248.8000000              0.0007110
   1389.4100000              0.0027260
    643.0430000              0.0090780
    314.0050000              0.0266470
    159.4890000              0.0683490
     83.6662000              0.1462290
     45.1574000              0.2463660
     24.9630000              0.3093570
     14.0043000              0.2518340
      7.8326700              0.1075770
      4.2841000              0.0186230
      2.2890100              0.0018400
      1.1943600              0.0005260
      0.5942580              0.0001340
      0.2269140              0.0000180
      0.0901790             -0.0000030
Zn    P
 110349.0000000             -0.0000010
  26971.3000000             -0.0000090
   8560.0700000             -0.0000570
   3248.8000000             -0.0002660
   1389.4100000             -0.0010230
    643.0430000             -0.0034260
    314.0050000             -0.0101780
    159.4890000             -0.0266840
     83.6662000             -0.0590440
     45.1574000             -0.1036450
     24.9630000             -0.1371860
     14.0043000             -0.0980300
      7.8326700              0.0782840
      4.2841000              0.3068960
      2.2890100              0.4020910
      1.1943600              0.2839960
      0.5942580              0.0869280
      0.2269140              0.0058540
      0.0901790             -0.0000370
Zn    P
 110349.0000000             -0.0000010
  26971.3000000             -0.0000070
   8560.0700000             -0.0000440
   3248.8000000             -0.0001870
   1389.4100000             -0.0007860
    643.0430000             -0.0024190
    314.0050000             -0.0078320
    159.4890000             -0.0188920
     83.6662000             -0.0460950
     45.1574000             -0.0721870
     24.9630000             -0.1187060
     14.0043000             -0.0688450
      7.8326700              0.0612550
      4.2841000              0.5482940
      2.2890100              0.2972820
      1.1943600             -0.2716010
      0.5942580             -1.0379400
      0.2269140              0.2883290
      0.0901790              0.5829240
Zn    P
 110349.0000000              0.0000010
  26971.3000000              0.0000090
   8560.0700000              0.0000470
   3248.8000000              0.0002580
   1389.4100000              0.0008400
    643.0430000              0.0033290
    314.0050000              0.0084050
    159.4890000              0.0262100
     83.6662000              0.0483260
     45.1574000              0.1064260
     24.9630000              0.1112430
     14.0043000              0.2196340
      7.8326700             -0.3785060
      4.2841000             -0.8342830
      2.2890100              0.0346510
      1.1943600              1.9667590
      0.5942580             -1.2248450
      0.2269140             -0.7377320
      0.0901790              0.9916440
Zn    P
 110349.0000000              0.0000010
  26971.3000000              0.0000110
   8560.0700000              0.0000750
   3248.8000000              0.0003070
   1389.4100000              0.0013430
    643.0430000              0.0039790
    314.0050000              0.0135080
    159.4890000              0.0315180
     83.6662000              0.0812240
     45.1574000              0.1177440
     24.9630000              0.2545370
     14.0043000              0.2804660
      7.8326700             -1.3817560
      4.2841000             -0.5845020
      2.2890100              2.8319550
      1.1943600             -1.4030820
      0.5942580             -1.0866400
      0.2269140              1.8537790
      0.0901790             -1.1119850
Zn    P
  26971.3000000              0.0000020
   8560.0700000              0.0000110
   3248.8000000              0.0000490
   1389.4100000              0.0001900
    643.0430000              0.0006280
    314.0050000              0.0018980
    159.4890000              0.0049050
     83.6662000              0.0110910
     45.1574000              0.0191100
     24.9630000              0.0264040
     14.0043000              0.0170480
      7.8326700             -0.0167770
      4.2841000             -0.0722810
      2.2890100             -0.0888340
      1.1943600             -0.0855010
      0.5942580              0.0514770
      0.2269140              0.3482630
      0.0901790              0.5207130
Zn    P
  26971.3000000              0.0000030
   8560.0700000              0.0000190
   3248.8000000              0.0000840
   1389.4100000              0.0003350
    643.0430000              0.0010780
    314.0050000              0.0033420
    159.4890000              0.0084110
     83.6662000              0.0195690
     45.1574000              0.0325670
     24.9630000              0.0477820
     14.0043000              0.0279570
      7.8326700             -0.0245300
      4.2841000             -0.1464900
      2.2890100             -0.1492570
      1.1943600             -0.1363180
      0.5942580              0.1989520
      0.2269140              0.6520570
      0.0901790              0.3101190
Zn    P
     14.8971                 1.0
Zn    P
      4.7100                 1.0
Zn    P
      0.0357180              1.0000000
Zn    D
    854.1223000              0.0001100
    257.9496000              0.0010600
    100.2319000              0.0061270
     44.1762100              0.0242270
     20.7847600              0.0705680
     10.2275600              0.1554220
      5.1512410              0.2464650
      2.5908470              0.2908540
      1.2858010              0.2696230
      0.6253440              0.1932020
      0.2939430              0.0928240
Zn    D
    854.1223000              0.0001540
    257.9496000              0.0014840
    100.2319000              0.0086150
     44.1762100              0.0343280
     20.7847600              0.1026560
     10.2275600              0.2346230
      5.1512410              0.3308580
      2.5908470              0.1664140
      1.2858010             -0.2191500
      0.6253440             -0.4171790
      0.2939430             -0.2879880
Zn    D
    854.1223000              0.0001680
    257.9496000              0.0016860
    100.2319000              0.0095520
     44.1762100              0.0391690
     20.7847600              0.1185400
     10.2275600              0.3060170
      5.1512410              0.2800330
      2.5908470             -0.3570440
      1.2858010             -0.5566930
      0.6253440             -0.0034070
      0.2939430              0.5550480
Zn    D
    854.1223000              0.0002020
    257.9496000              0.0022920
    100.2319000              0.0119480
     44.1762100              0.0534890
     20.7847600              0.1599570
     10.2275600              0.4633290
      5.1512410              0.0018920
      2.5908470             -0.9592480
      1.2858010              0.1085530
      0.6253440              0.9818850
      0.2939430             -0.3019870
Zn    D
    854.1223000             -0.0003210
    257.9496000             -0.0028130
    100.2319000             -0.0180280
     44.1762100             -0.0679850
     20.7847600             -0.2814680
     10.2275600             -0.6396470
      5.1512410              1.0829690
      2.5908470              0.4414690
      1.2858010             -1.6892300
      0.6253440              0.9011120
      0.2939430              0.6121440
Zn    D
     11.5936                 1.0
Zn    D
      7.2491                 1.0
Zn    D
      0.1289970              1.0000000
Zn    F
     17.8628                 1.0
Zn    F
      8.0392                 1.0
Zn    F
      3.6180                 1.0
Zn    F
      1.6283                 1.0
Zn    F
      0.5721000              1.0000000
Zn    G
     12.5406                 1.0
Zn    G
      6.2306                 1.0
Zn    G
      3.0956                 1.0
Zn    G
      1.1951000              1.0000000
Zn    H
     11.2261                 1.0
Zn    H
      5.5189                 1.0
Zn    H
      2.4250000              1.0000000
Zn    I
     11.0188                 1.0
Zn    I
      5.5487000              1.0000000
end
