# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# cc-pCVTZ-DK version number 0
# Description: Triple-Zeta Douglas-Kroll Valence Double 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:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  Li,Be,Na,Mg
#      TODO
#          prascher2011a jong2001a
# 
#      Core/valence Functions (cc-pCVTZ)
#          feller1996a schuchardt2007a
# 
#  B-Ne
#      TODO
#          dunning1989a jong2001a
# 
#      Core/valence Functions (cc-pCVTZ)
#          dunning1989a woon1995a
# 
#  Al-Ar
#      TODO
#          woon1993a jong2001a
# 
#      Core/valence Functions (cc-pCVTZ)
#          peterson2002a
# 
# 
# 
# dunning1989a
#     Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. I.
#             The atoms boron through neon and hydrogen
#     J. Chem. Phys. 90, 1007-1023 (1989)
#     10.1063/1.456153
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# jong2001a
#     de Jong, W. A, Harrison, R. J., Dixon, D. A.
#     Parallel Douglas-Kroll energy and gradients in NWChem: Estimating
#             scalar relativistic effects using Douglas-Kroll contracted
#             basis sets
#     J. Chem. Phys. 114, 48 (2001)
#     10.1063/1.1329891
# 
# peterson2002a
#     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
# 
# prascher2011a
#     Prascher, Brian P., Woon, David E., Peterson, Kirk A., Dunning, Thom
#             H., Wilson, Angela K.
#     Gaussian basis sets for use in correlated molecular calculations. VII.
#             Valence, core-valence, and scalar relativistic basis sets for
#             Li, Be, Na, and Mg
#     Theor. Chem. Acc. 128, 69-82 (2011)
#     10.1007/s00214-010-0764-0
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# woon1993a
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. III.
#             The atoms aluminum through argon
#     J. Chem. Phys. 98, 1358-1371 (1993)
#     10.1063/1.464303
# 
# woon1995a
#     Woon, David E., Dunning, Thom H.
#     Gaussian basis sets for use in correlated molecular calculations. V.
#             Core-valence basis sets for boron through neon
#     J. Chem. Phys. 103, 4572-4585 (1995)
#     10.1063/1.470645
# 
# # 
basis "Li_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (22s,7p,3d,1f) -> [6s,5p,3d,1f]
Li    S
      1.9740000              1.0000000
Li    S
   5988.0000000              0.0001590
    898.9000000              0.0010523
    205.9000000              0.0053137
     59.2400000              0.0209831
     19.8700000              0.0664049
      7.4060000              0.1658220
      2.9300000              0.3150359
      1.1890000              0.3934631
      0.4798000              0.1908184
Li    S
   5988.0000000             -0.0000248
    898.9000000             -0.0001652
    205.9000000             -0.0008272
     59.2400000             -0.0033354
     19.8700000             -0.0105312
      7.4060000             -0.0281109
      2.9300000             -0.0559366
      1.1890000             -0.0992549
      0.4798000             -0.1121221
Li    S
      0.6830000              1.0000000
Li    S
      0.0750900              1.0000000
Li    S
      0.0283200              1.0000000
Li    P
      7.3200000              1.0000000
Li    P
      1.8750000              1.0000000
Li    P
      3.2660000              0.0086331
      0.6511000              0.0475337
      0.1696000              0.2097708
Li    P
      0.0557800              1.0000000
Li    P
      0.0205000              1.0000000
Li    D
      4.9120000              1.0000000
Li    D
      0.1874000              1.0000000
Li    D
      0.0801000              1.0000000
Li    F
      0.1829000              1.0000000
end
basis "Be_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (22s,7p,3d,1f) -> [6s,5p,3d,1f]
Be    S
      4.6040000              1.0000000
Be    S
   6863.0000000              0.0002897
   1030.0000000              0.0018847
    234.7000000              0.0095429
     66.5600000              0.0380762
     21.6900000              0.1200942
      7.7340000              0.2822115
      2.9160000              0.4273153
      1.1300000              0.2661276
      0.1101000             -0.0072870
Be    S
      1.6170000              1.0000000
Be    S
      0.2577000              1.0000000
Be    S
   6863.0000000             -0.0000529
   1030.0000000             -0.0003433
    234.7000000             -0.0017537
     66.5600000             -0.0070364
     21.6900000             -0.0231606
      7.7340000             -0.0581609
      2.9160000             -0.1145859
      1.1300000             -0.1357835
      0.1101000              0.5773731
Be    S
      0.0440900              1.0000000
Be    P
     14.4970000              1.0000000
Be    P
      3.7870000              1.0000000
Be    P
      7.4360000              0.0107482
      1.5770000              0.0628561
      0.4352000              0.2481982
Be    P
      0.1438000              1.0000000
Be    P
      0.0499400              1.0000000
Be    D
      9.1830000              1.0000000
Be    D
      0.3480000              1.0000000
Be    D
      0.1803000              1.0000000
Be    F
      0.3250000              1.0000000
end
basis "B_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (20s,7p,3d,1f) -> [6s,5p,3d,1f]
B    S
      8.3110000              1.0000000
B    S
   5473.0000000              0.0006618
    820.9000000              0.0044078
    186.8000000              0.0221381
     52.8300000              0.0846659
     17.0800000              0.2387201
      5.9990000              0.4349692
      2.2080000              0.3416948
      0.2415000             -0.0095262
B    S
      2.9400000              1.0000000
B    S
      0.5879000              1.0000000
B    S
   5473.0000000             -0.0001338
    820.9000000             -0.0008927
    186.8000000             -0.0045253
     52.8300000             -0.0177437
     17.0800000             -0.0537048
      5.9990000             -0.1190598
      2.2080000             -0.1656727
      0.2415000              0.5959798
B    S
      0.0861000              1.0000000
B    P
     22.8910000              1.0000000
B    P
      6.0160000              1.0000000
B    P
     12.0500000              0.0131399
      2.6130000              0.0799035
      0.7475000              0.2772102
B    P
      0.2385000              1.0000000
B    P
      0.0769800              1.0000000
B    D
     13.0150000              1.0000000
B    D
      0.6610000              1.0000000
B    D
      0.1990000              1.0000000
B    F
      0.4900000              1.0000000
end
basis "C_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (20s,7p,3d,1f) -> [6s,5p,3d,1f]
C    S
     11.8760000              1.0000000
C    S
   8236.0000000              0.0006772
   1235.0000000              0.0042785
    280.8000000              0.0213576
     79.2700000              0.0821858
     25.5900000              0.2350715
      8.9970000              0.4342613
      3.3190000              0.3457333
      0.3643000             -0.0089547
C    S
      4.2920000              1.0000000
C    S
      0.9059000              1.0000000
C    S
   8236.0000000             -0.0001445
   1235.0000000             -0.0009156
    280.8000000             -0.0046031
     79.2700000             -0.0182284
     25.5900000             -0.0558690
      8.9970000             -0.1269889
      3.3190000             -0.1701050
      0.3643000              0.5986760
C    S
      0.1285000              1.0000000
C    P
     33.1900000              1.0000000
C    P
      8.7780000              1.0000000
C    P
     18.7100000              0.0140738
      4.1330000              0.0869016
      1.2000000              0.2902016
C    P
      0.3827000              1.0000000
C    P
      0.1209000              1.0000000
C    D
     14.8390000              1.0000000
C    D
      1.0970000              1.0000000
C    D
      0.3180000              1.0000000
C    F
      0.7610000              1.0000000
end
basis "N_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (20s,7p,3d,1f) -> [6s,5p,3d,1f]
N    S
     16.2010000              1.0000000
N    S
  11420.0000000              0.0007127
   1712.0000000              0.0042813
    389.3000000              0.0211421
    110.0000000              0.0811887
     35.5700000              0.2334368
     12.5400000              0.4333154
      4.6440000              0.3469116
      0.5118000             -0.0084838
N    S
      5.9520000              1.0000000
N    S
      1.2930000              1.0000000
N    S
  11420.0000000             -0.0001573
   1712.0000000             -0.0009485
    389.3000000             -0.0047127
    110.0000000             -0.0186658
     35.5700000             -0.0575021
     12.5400000             -0.1322177
      4.6440000             -0.1721464
      0.5118000              0.5999371
N    S
      0.1787000              1.0000000
N    P
     44.8490000              1.0000000
N    P
     11.8710000              1.0000000
N    P
     26.6300000              0.0147368
      5.9480000              0.0918329
      1.7420000              0.2986885
N    P
      0.5550000              1.0000000
N    P
      0.1725000              1.0000000
N    D
     14.2000000              1.0000000
N    D
      1.6540000              1.0000000
N    D
      0.4690000              1.0000000
N    F
      1.0930000              1.0000000
end
basis "O_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (20s,7p,3d,1f) -> [6s,5p,3d,1f]
O    S
     21.0320000              1.0000000
O    S
  15330.0000000              0.0007428
   2299.0000000              0.0042405
    522.4000000              0.0207194
    147.3000000              0.0797931
     47.5500000              0.2311816
     16.7600000              0.4328845
      6.2070000              0.3495073
      0.6882000             -0.0081229
O    S
      7.8450000              1.0000000
O    S
      1.7520000              1.0000000
O    S
  15330.0000000             -0.0001688
   2299.0000000             -0.0009679
    522.4000000             -0.0047549
    147.3000000             -0.0189126
     47.5500000             -0.0586914
     16.7600000             -0.1366626
      6.2070000             -0.1752353
      0.6882000              0.6033925
O    S
      0.2384000              1.0000000
O    P
     57.4370000              1.0000000
O    P
     15.1590000              1.0000000
O    P
     34.4600000              0.0160267
      7.7490000              0.0998490
      2.2800000              0.3105086
O    P
      0.7156000              1.0000000
O    P
      0.2140000              1.0000000
O    D
     15.8580000              1.0000000
O    D
      2.3140000              1.0000000
O    D
      0.6450000              1.0000000
O    F
      1.4280000              1.0000000
end
basis "F_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (20s,7p,3d,1f) -> [6s,5p,3d,1f]
F    S
     25.9430000              1.0000000
F    S
  19500.0000000              0.0007913
   2923.0000000              0.0043210
    664.5000000              0.0208039
    187.5000000              0.0797933
     60.6200000              0.2310785
     21.4200000              0.4325780
      7.9500000              0.3489945
      0.8815000             -0.0078525
F    S
      9.8120000              1.0000000
F    S
      2.2570000              1.0000000
F    S
  19500.0000000             -0.0001835
   2923.0000000             -0.0010071
    664.5000000             -0.0048719
    187.5000000             -0.0193323
     60.6200000             -0.0599582
     21.4200000             -0.1402744
      7.9500000             -0.1761052
      0.8815000              0.6049737
F    S
      0.3041000              1.0000000
F    P
     71.3480000              1.0000000
F    P
     18.7560000              1.0000000
F    P
     43.8800000              0.0168000
      9.9260000              0.1046299
      2.9300000              0.3172873
F    P
      0.9132000              1.0000000
F    P
      0.2672000              1.0000000
F    D
     19.1080000              1.0000000
F    D
      3.1070000              1.0000000
F    D
      0.8550000              1.0000000
F    F
      1.9170000              1.0000000
end
basis "Ne_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (20s,7p,3d,1f) -> [6s,5p,3d,1f]
Ne    S
     31.9470000              1.0000000
Ne    S
  24350.0000000              0.0008358
   3650.0000000              0.0043745
    829.6000000              0.0207423
    234.0000000              0.0793936
     75.6100000              0.2304832
     26.7300000              0.4323621
      9.9270000              0.3494274
      1.1020000             -0.0075967
Ne    S
     12.0830000              1.0000000
Ne    S
      2.8360000              1.0000000
Ne    S
  24350.0000000             -0.0001967
   3650.0000000             -0.0010354
    829.6000000             -0.0049308
    234.0000000             -0.0195454
     75.6100000             -0.0607585
     26.7300000             -0.1428460
      9.9270000             -0.1768425
      1.1020000              0.6057343
Ne    S
      0.3782000              1.0000000
Ne    P
     87.0170000              1.0000000
Ne    P
     22.8270000              1.0000000
Ne    P
     54.7000000              0.0173278
     12.4300000              0.1078707
      3.6790000              0.3217252
Ne    P
      1.1430000              1.0000000
Ne    P
      0.3300000              1.0000000
Ne    D
     23.1680000              1.0000000
Ne    D
      4.0140000              1.0000000
Ne    D
      1.0960000              1.0000000
Ne    F
      2.5440000              1.0000000
end
basis "Na_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (46s,20p,4d,2f) -> [7s,6p,4d,2f]
Na    S
 423000.0000000              0.0000890
  63340.0000000              0.0003055
  14410.0000000              0.0010495
   4077.0000000              0.0035692
   1328.0000000              0.0118412
    478.6000000              0.0361339
    186.2000000              0.0969663
     76.9200000              0.2144124
     33.3200000              0.3483759
     15.0000000              0.3233780
      6.8690000              0.1120091
      2.6830000              0.0070223
      1.1090000              0.0005966
      0.0601500             -0.0000050
Na    S
      4.1890000              1.0000000
Na    S
 423000.0000000             -0.0000218
  63340.0000000             -0.0000749
  14410.0000000             -0.0002571
   4077.0000000             -0.0008795
   1328.0000000             -0.0029209
    478.6000000             -0.0091129
    186.2000000             -0.0251502
     76.9200000             -0.0610296
     33.3200000             -0.1167017
     15.0000000             -0.1621266
      6.8690000             -0.0422846
      2.6830000              0.3395466
      1.1090000              0.5607534
      0.0601500              0.0040000
Na    S
      0.6260000              1.0000000
Na    S
      0.4540000              1.0000000
Na    S
 423000.0000000              0.0000033
  63340.0000000              0.0000113
  14410.0000000              0.0000387
   4077.0000000              0.0001320
   1328.0000000              0.0004406
    478.6000000              0.0013683
    186.2000000              0.0038100
     76.9200000              0.0092122
     33.3200000              0.0180161
     15.0000000              0.0251437
      6.8690000              0.0072823
      2.6830000             -0.0616094
      1.1090000             -0.1163041
      0.0601500              0.6290489
Na    S
      0.0238200              1.0000000
Na    P
      1.5690000              1.0000000
Na    P
    243.3000000              0.0023360
     57.3900000              0.0175708
     18.1000000              0.0776875
      6.5750000              0.2192534
      2.5210000              0.3784065
      0.9607000              0.3946998
      0.3512000              0.1604432
      0.0982700              0.0023645
Na    P
      0.5120000              1.0000000
Na    P
    243.3000000             -0.0002316
     57.3900000             -0.0017602
     18.1000000             -0.0077836
      6.5750000             -0.0225358
      2.5210000             -0.0384212
      0.9607000             -0.0450032
      0.3512000             -0.0191964
      0.0982700              0.1827235
Na    P
      0.0373400              1.0000000
Na    P
      0.0150000              1.0000000
Na    D
      5.4040000              1.0000000
Na    D
      1.5300000              1.0000000
Na    D
      0.1367000              1.0000000
Na    D
      0.0636000              1.0000000
Na    F
      3.4650000              1.0000000
Na    F
      0.1397000              1.0000000
end
basis "Mg_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (43s,20p,4d,2f) -> [7s,6p,4d,2f]
Mg    S
 164900.0000000              0.0002422
  24710.0000000              0.0009215
   5628.0000000              0.0035555
   1596.0000000              0.0131266
    521.0000000              0.0438767
    188.0000000              0.1242674
     73.0100000              0.2754606
     29.9000000              0.4008546
     12.5400000              0.2632257
      4.3060000              0.0330029
      1.8260000             -0.0043711
      0.7417000              0.0020420
      0.0761200              0.0007009
Mg    S
     17.5160000              1.0000000
Mg    S
      3.8700000              1.0000000
Mg    S
 164900.0000000             -0.0000614
  24710.0000000             -0.0002342
   5628.0000000             -0.0009030
   1596.0000000             -0.0033736
    521.0000000             -0.0114009
    188.0000000             -0.0341221
     73.0100000             -0.0831202
     29.9000000             -0.1595571
     12.5400000             -0.1513356
      4.3060000              0.1935020
      1.8260000              0.5798608
      0.7417000              0.3696639
      0.0761200             -0.0115917
Mg    S
      0.1457000              1.0000000
Mg    S
 164900.0000000              0.0000118
  24710.0000000              0.0000451
   5628.0000000              0.0001742
   1596.0000000              0.0006501
    521.0000000              0.0022034
    188.0000000              0.0066013
     73.0100000              0.0162441
     29.9000000              0.0316427
     12.5400000              0.0312732
      4.3060000             -0.0444516
      1.8260000             -0.1516479
      0.7417000             -0.2163940
      0.0761200              0.5453010
Mg    S
      0.0331000              1.0000000
Mg    P
     20.2970000              1.0000000
Mg    P
      5.1050000              1.0000000
Mg    P
    316.9000000              0.0021856
     74.8600000              0.0164985
     23.7200000              0.0742262
      8.6690000              0.2145337
      3.3630000              0.3820475
      1.3100000              0.3978887
      0.4911000              0.1528155
      0.2364000             -0.0043175
Mg    P
    316.9000000             -0.0003462
     74.8600000             -0.0026128
     23.7200000             -0.0119341
      8.6690000             -0.0349344
      3.3630000             -0.0637955
      1.3100000             -0.0700523
      0.4911000             -0.0382229
      0.2364000              0.1775221
Mg    P
      0.0873300              1.0000000
Mg    P
      0.0323700              1.0000000
Mg    D
      7.0290000              1.0000000
Mg    D
      2.1210000              1.0000000
Mg    D
      0.2940000              1.0000000
Mg    D
      0.1260000              1.0000000
Mg    F
      4.5300000              1.0000000
Mg    F
      0.2520000              1.0000000
end
basis "Al_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (43s,18p,4d,2f) -> [7s,6p,4d,2f]
Al    S
 205500.0000000              0.0002486
  30780.0000000              0.0009183
   7006.0000000              0.0034388
   1985.0000000              0.0124309
    649.1000000              0.0411372
    235.0000000              0.1165198
     91.6200000              0.2617217
     37.6700000              0.3953985
     15.9100000              0.2827977
      5.8500000              0.0440595
      2.5420000             -0.0048440
      1.0570000              0.0025850
      0.1455000              0.0007132
Al    S
      7.4880000              1.0000000
Al    S
 205500.0000000             -0.0000649
  30780.0000000             -0.0002401
   7006.0000000             -0.0009000
   1985.0000000             -0.0032826
    649.1000000             -0.0110170
    235.0000000             -0.0327430
     91.6200000             -0.0809702
     37.6700000             -0.1571116
     15.9100000             -0.1667395
      5.8500000              0.1299949
      2.5420000              0.5619410
      1.0570000              0.4337633
      0.1455000             -0.0111008
Al    S
      1.2720000              1.0000000
Al    S
      0.2931000              1.0000000
Al    S
 205500.0000000              0.0000150
  30780.0000000              0.0000554
   7006.0000000              0.0002080
   1985.0000000              0.0007579
    649.1000000              0.0025517
    235.0000000              0.0075909
     91.6200000              0.0189792
     37.6700000              0.0373779
     15.9100000              0.0415027
      5.8500000             -0.0362454
      2.5420000             -0.1759455
      1.0570000             -0.2747958
      0.1455000              0.6521109
Al    S
      0.0565000              1.0000000
Al    P
      5.5480000              1.0000000
Al    P
    444.4000000              0.0017470
    105.1000000              0.0133061
     33.4700000              0.0616623
     12.3300000              0.1882350
      4.8690000              0.3604280
      1.9610000              0.4080722
      0.1888000              0.0097994
Al    P
      2.2020000              1.0000000
Al    P
      0.7834000              1.0000000
Al    P
    444.4000000             -0.0003076
    105.1000000             -0.0024646
     33.4700000             -0.0109375
     12.3300000             -0.0364711
      4.8690000             -0.0640394
      1.9610000             -0.0970652
      0.1888000              0.5027104
Al    P
      0.0555700              1.0000000
Al    D
      8.6460000              1.0000000
Al    D
      2.6340000              1.0000000
Al    D
      0.3330000              1.0000000
Al    D
      0.1090000              1.0000000
Al    F
      5.6860000              1.0000000
Al    F
      0.2440000              1.0000000
end
basis "Si_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (43s,18p,4d,2f) -> [7s,6p,4d,2f]
Si    S
 254900.0000000              0.0002529
  38190.0000000              0.0009090
   8690.0000000              0.0033025
   2462.0000000              0.0116759
    804.8000000              0.0383795
    291.3000000              0.1092047
    113.6000000              0.2490127
     46.7500000              0.3899473
     19.8200000              0.2998830
      7.7080000              0.0553498
      3.3400000             -0.0039710
      1.4020000              0.0025494
      0.2070000              0.0006001
Si    S
      9.1640000              1.0000000
Si    S
 254900.0000000             -0.0000676
  38190.0000000             -0.0002434
   8690.0000000             -0.0008863
   2462.0000000             -0.0031552
    804.8000000             -0.0105363
    291.3000000             -0.0312848
    113.6000000             -0.0785245
     46.7500000             -0.1546506
     19.8200000             -0.1786818
      7.7080000              0.0834192
      3.3400000              0.5485415
      1.4020000              0.4767448
      0.2070000             -0.0103212
Si    S
      1.6210000              1.0000000
Si    S
      0.4387000              1.0000000
Si    S
 254900.0000000              0.0000173
  38190.0000000              0.0000624
   8690.0000000              0.0002272
   2462.0000000              0.0008085
    804.8000000              0.0027076
    291.3000000              0.0080506
    113.6000000              0.0204261
     46.7500000              0.0408728
     19.8200000              0.0494300
      7.7080000             -0.0259952
      3.3400000             -0.1915191
      1.4020000             -0.3167253
      0.2070000              0.6807332
Si    S
      0.0794400              1.0000000
Si    P
      6.4580000              1.0000000
Si    P
    481.5000000              0.0020745
    113.9000000              0.0156644
     36.2300000              0.0719518
     13.3400000              0.2134897
      5.2520000              0.3902729
      2.1200000              0.3932155
      0.2528000              0.0039858
Si    P
      2.5170000              1.0000000
Si    P
      0.8561000              1.0000000
Si    P
    481.5000000             -0.0004381
    113.9000000             -0.0034247
     36.2300000             -0.0154023
     13.3400000             -0.0489931
      5.2520000             -0.0854192
      2.1200000             -0.1119097
      0.2528000              0.5513707
Si    P
      0.0788900              1.0000000
Si    D
     10.6710000              1.0000000
Si    D
      3.3080000              1.0000000
Si    D
      0.4810000              1.0000000
Si    D
      0.1590000              1.0000000
Si    F
      7.0010000              1.0000000
Si    F
      0.3360000              1.0000000
end
basis "P_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (43s,18p,4d,2f) -> [7s,6p,4d,2f]
P    S
 312400.0000000              0.0002571
  46800.0000000              0.0009020
  10650.0000000              0.0031853
   3018.0000000              0.0110055
    986.8000000              0.0358359
    357.4000000              0.1021861
    139.6000000              0.2357207
     57.6300000              0.3815204
     24.6000000              0.3156027
     10.1200000              0.0699621
      4.2830000             -0.0017854
      1.8050000              0.0021312
      0.2782000              0.0004255
P    S
     10.9780000              1.0000000
P    S
 312400.0000000             -0.0000702
  46800.0000000             -0.0002465
  10650.0000000             -0.0008732
   3018.0000000             -0.0030327
    986.8000000             -0.0100473
    357.4000000             -0.0297436
    139.6000000             -0.0754666
     57.6300000             -0.1504688
     24.6000000             -0.1878391
     10.1200000              0.0403987
      4.2830000              0.5308169
      1.8050000              0.5151652
      0.2782000             -0.0089109
P    S
      2.0060000              1.0000000
P    S
      0.6158000              1.0000000
P    S
 312400.0000000             -0.0000193
  46800.0000000             -0.0000677
  10650.0000000             -0.0002401
   3018.0000000             -0.0008334
    986.8000000             -0.0027699
    357.4000000             -0.0082076
    139.6000000             -0.0210652
     57.6300000             -0.0426310
     24.6000000             -0.0558250
     10.1200000              0.0140284
      4.2830000              0.1981170
      1.8050000              0.3517465
      0.2782000             -0.7008474
P    S
      0.1055000              1.0000000
P    P
      7.0840000              1.0000000
P    P
    504.9000000              0.0025366
    119.4000000              0.0189426
     37.9600000              0.0856706
     13.9500000              0.2451121
      5.4570000              0.4225698
      2.1770000              0.3677769
      0.2877000             -0.0037587
P    P
      2.7010000              1.0000000
P    P
      0.8010000              1.0000000
P    P
    504.9000000             -0.0006028
    119.4000000             -0.0045552
     37.9600000             -0.0208047
     13.9500000             -0.0618635
      5.4570000             -0.1088145
      2.1770000             -0.1052149
      0.2877000              0.5764654
P    P
      0.0971400              1.0000000
P    D
     12.8910000              1.0000000
P    D
      4.0560000              1.0000000
P    D
      0.6520000              1.0000000
P    D
      0.2160000              1.0000000
P    F
      8.4620000              1.0000000
P    F
      0.4520000              1.0000000
end
basis "S_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (43s,18p,4d,2f) -> [7s,6p,4d,2f]
S    S
 374100.0000000              0.0002638
  56050.0000000              0.0009062
  12760.0000000              0.0031247
   3615.0000000              0.0105603
   1183.0000000              0.0340035
    428.8000000              0.0969219
    167.8000000              0.2252582
     69.4700000              0.3735512
     29.8400000              0.3262878
     12.7200000              0.0836129
      5.2440000              0.0004429
      2.2190000              0.0016215
      0.3490000              0.0002957
S    S
     12.9280000              1.0000000
S    S
 374100.0000000             -0.0000733
  56050.0000000             -0.0002521
  12760.0000000             -0.0008725
   3615.0000000             -0.0029604
   1183.0000000             -0.0097096
    428.8000000             -0.0286229
    167.8000000             -0.0731204
     69.4700000             -0.1470961
     29.8400000             -0.1935729
     12.7200000              0.0128266
      5.2440000              0.5194749
      2.2190000              0.5375512
      0.3490000             -0.0088273
S    S
      2.4130000              1.0000000
S    S
      0.7767000              1.0000000
S    S
 374100.0000000              0.0000213
  56050.0000000              0.0000732
  12760.0000000              0.0002535
   3615.0000000              0.0008599
   1183.0000000              0.0028283
    428.8000000              0.0083497
    167.8000000              0.0215638
     69.4700000              0.0440714
     29.8400000              0.0607406
     12.7200000             -0.0051710
      5.2440000             -0.2066834
      2.2190000             -0.3796525
      0.3490000              0.7139336
S    S
      0.1322000              1.0000000
S    P
      8.1140000              1.0000000
S    P
    574.4000000              0.0026583
    135.8000000              0.0197601
     43.1900000              0.0893840
     15.8700000              0.2552538
      6.2080000              0.4337250
      2.4830000              0.3541224
      0.3229000             -0.0050047
S    P
      3.1060000              1.0000000
S    P
      0.8688000              1.0000000
S    P
    574.4000000             -0.0006804
    135.8000000             -0.0050630
     43.1900000             -0.0234889
     15.8700000             -0.0686526
      6.2080000             -0.1237698
      2.4830000             -0.0963932
      0.3229000              0.5688332
S    P
      0.1098000              1.0000000
S    D
     15.2540000              1.0000000
S    D
      4.8450000              1.0000000
S    D
      0.8190000              1.0000000
S    D
      0.2690000              1.0000000
S    F
     10.0520000              1.0000000
S    F
      0.5570000              1.0000000
end
basis "Cl_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (43s,18p,4d,2f) -> [7s,6p,4d,2f]
Cl    S
 456100.0000000              0.0002645
  68330.0000000              0.0008905
  15550.0000000              0.0029934
   4405.0000000              0.0098871
   1439.0000000              0.0315606
    520.4000000              0.0903711
    203.1000000              0.2134406
     83.9600000              0.3646772
     36.2000000              0.3377387
     15.8300000              0.1006810
      6.3340000              0.0030732
      2.6940000              0.0010373
      0.4313000              0.0001520
Cl    S
     15.0640000              1.0000000
Cl    S
 456100.0000000             -0.0000747
  68330.0000000             -0.0002515
  15550.0000000             -0.0008492
   4405.0000000             -0.0028128
   1439.0000000             -0.0091519
    520.4000000             -0.0269903
    203.1000000             -0.0699330
     83.9600000             -0.1426906
     36.2000000             -0.1978853
     15.8300000             -0.0143283
      6.3340000              0.5036507
      2.6940000              0.5584234
      0.4313000             -0.0080500
Cl    S
      2.8740000              1.0000000
Cl    S
      0.9768000              1.0000000
Cl    S
 456100.0000000              0.0000226
  68330.0000000              0.0000761
  15550.0000000              0.0002572
   4405.0000000              0.0008515
   1439.0000000              0.0027786
    520.4000000              0.0082052
    203.1000000              0.0214933
     83.9600000              0.0445276
     36.2000000              0.0646680
     15.8300000              0.0041911
      6.3340000             -0.2092752
      2.6940000             -0.4033247
      0.4313000              0.7256082
Cl    S
      0.1625000              1.0000000
Cl    P
      9.4800000              1.0000000
Cl    P
    663.3000000              0.0026741
    156.8000000              0.0197715
     49.9800000              0.0894991
     18.4200000              0.2567502
      7.2400000              0.4366374
      2.9220000              0.3493206
      0.3818000             -0.0045545
Cl    P
      3.6680000              1.0000000
Cl    P
      1.0220000              1.0000000
Cl    P
    663.3000000             -0.0007253
    156.8000000             -0.0053474
     49.9800000             -0.0249761
     18.4200000             -0.0730005
      7.2400000             -0.1338923
      2.9220000             -0.0940334
      0.3818000              0.5640464
Cl    P
      0.1301000              1.0000000
Cl    D
     17.9570000              1.0000000
Cl    D
      5.7600000              1.0000000
Cl    D
      1.0460000              1.0000000
Cl    D
      0.3440000              1.0000000
Cl    F
     11.7790000              1.0000000
Cl    F
      0.7060000              1.0000000
end
basis "Ar_cc-pCVTZ-DK" SPHERICAL 
#basis SET: (43s,18p,4d,2f) -> [7s,6p,4d,2f]
Ar    S
 545000.0000000              0.0002676
  81640.0000000              0.0008851
  18580.0000000              0.0029115
   5261.0000000              0.0094107
   1717.0000000              0.0297252
    619.9000000              0.0852189
    241.6000000              0.2035465
     99.7900000              0.3562637
     43.1500000              0.3461000
     19.1400000              0.1164162
      7.4880000              0.0055038
      3.2050000              0.0004726
      0.5204000              0.0000270
Ar    S
     17.3620000              1.0000000
Ar    S
 545000.0000000             -0.0000766
  81640.0000000             -0.0002534
  18580.0000000             -0.0008375
   5261.0000000             -0.0027127
   1717.0000000             -0.0087370
    619.9000000             -0.0257215
    241.6000000             -0.0672613
     99.7900000             -0.1389310
     43.1500000             -0.2003327
     19.1400000             -0.0353876
      7.4880000              0.4896428
      3.2050000              0.5732040
      0.5204000             -0.0070177
Ar    S
      3.3780000              1.0000000
Ar    S
      1.1960000              1.0000000
Ar    S
 545000.0000000              0.0000239
  81640.0000000              0.0000792
  18580.0000000              0.0002620
   5261.0000000              0.0008483
   1717.0000000              0.0027402
    619.9000000              0.0080774
    241.6000000              0.0213514
     99.7900000              0.0447653
     43.1500000              0.0675613
     19.1400000              0.0119876
      7.4880000             -0.2109174
      3.2050000             -0.4221521
      0.5204000              0.7337362
Ar    S
      0.1954000              1.0000000
Ar    P
     11.0190000              1.0000000
Ar    P
    761.8000000              0.0026746
    180.2000000              0.0196563
     57.5000000              0.0892268
     21.2400000              0.2572532
      8.3880000              0.4383940
      3.4160000              0.3463553
      0.4523000             -0.0052053
Ar    P
      4.3070000              1.0000000
Ar    P
      1.2060000              1.0000000
Ar    P
    761.8000000             -0.0007530
    180.2000000             -0.0055091
     57.5000000             -0.0258919
     21.2400000             -0.0759587
      8.3880000             -0.1409826
      3.4160000             -0.0923338
      0.4523000              0.5617501
Ar    P
      0.1545000              1.0000000
Ar    D
     20.7060000              1.0000000
Ar    D
      6.6810000              1.0000000
Ar    D
      1.2540000              1.0000000
Ar    D
      0.4100000              1.0000000
Ar    F
     13.6740000              1.0000000
Ar    F
      0.8900000              1.0000000
end
