# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# CADPAC-TZ2P version number 1
# Description: TZ2P orbital basis from CADPAC
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  H,Li,B-Ne,Si-Cl
#      TZ2P orbital basis from CADPAC
#          huzinaga1965a dunning1971a tozer1998a
# 
# 
# 
# dunning1971a
#     Dunning, Thom H.
#     Gaussian Basis Functions for Use in Molecular Calculations. III.
#             Contraction of (10s6p) Atomic Basis Sets for the First-Row
#             Atoms
#     J. Chem. Phys. 55, 716-723 (1971)
#     10.1063/1.1676139
# 
# huzinaga1965a
#     Huzinaga, S.
#     Gaussian‐Type Functions for Polyatomic Systems. I
#     J. Chem. Phys. 42, 1293-1302 (1965)
#     10.1063/1.1696113
# 
# tozer1998a
#     Tozer, David J., Handy, Nicholas C.
#     The development of new exchange-correlation functionals
#     J. Chem. Phys. 108, 2545-2555 (1998)
#     10.1063/1.475638
# 
# # 
basis "H_CADPAC-TZ2P" SPHERICAL 
#basis SET: (5s,2p) -> [3s,2p]
H    S
     52.56                   0.025374
      7.903                  0.189684
      1.792                  0.852933
H    S
      0.502                  1.0
H    S
      0.158                  1.0
H    P
      1.5                    1.0
H    P
      0.5                    1.0
end
basis "Li_CADPAC-TZ2P" SPHERICAL 
#basis SET: (10s,2p) -> [4s,2p]
Li    S
   1783.0                    0.000824
    267.1                    0.006403
     60.07                   0.033239
     16.78                   0.126621
      5.403                  0.337749
      1.906                  0.575669
      0.2634                 0.062311
Li    S
      0.7179                 1.0
Li    S
      0.07716                1.0
Li    S
      0.02854                1.0
Li    P
      0.4                    1.0
Li    P
      0.1                    1.0
end
basis "B_CADPAC-TZ2P" CARTESIAN 
#basis SET: (11s,6p,2d) -> [5s,4p,2d]
B    S
   6250.0                    0.000798
    916.1                    0.006410
    202.2                    0.034299
     55.83                   0.135487
     17.86                   0.388532
      6.253                  0.547758
B    S
      6.253                  0.232643
      2.312                  0.797219
B    S
      0.6824                 1.0
B    S
      0.2604                 1.0
B    S
      0.0894                 1.0
B    P
     15.46                   0.040494
      3.483                  0.242838
      1.066                  0.810897
B    P
      0.3928                 1.0
B    P
      0.1503                 1.0
B    P
      0.05722                1.0
B    D
      1.05                   1.0
B    D
      0.35                   1.0
end
basis "C_CADPAC-TZ2P" CARTESIAN 
#basis SET: (11s,6p,2d) -> [5s,4p,2d]
C    S
   9471.000                  0.000776
   1398.000                  0.006218
    307.500                  0.033575
     84.540                  0.134278
     26.910                  0.393668
      9.409                  0.544169
C    S
      9.409                  0.248075
      3.5                    0.782844
C    S
      1.068                  1.0
C    S
      0.4002                 1.0
C    S
      0.1351                 1.0
C    P
     25.370                  0.038802
      5.776                  0.243118
      1.787                  0.810162
C    P
      0.6577                 1.0
C    P
      0.2486                 1.0
C    P
      0.09106                1.0
C    D
      1.2                    1.0
C    D
      0.4                    1.0
end
basis "N_CADPAC-TZ2P" CARTESIAN 
#basis SET: (11s,6p,2d) -> [5s,4p,2d]
N    S
  13520.0                    0.00076
   1999.0                    0.00607
    440.0                    0.032847
    120.9                    0.132396
     38.47                   0.393261
     13.46                   0.546339
N    S
     13.46                   0.252036
      4.993                  0.779385
N    S
      1.569                  1.000
N    S
      0.58                   1.000
N    S
      0.1923                 1.000
N    P
     35.91                   0.040319
      8.48                   0.243602
      2.706                  0.805968
N    P
      0.9921                 1.0
N    P
      0.3727                 1.000
N    P
      0.1346                 1.000
N    D
      1.35                   1.0
N    D
      0.45                   1.0
end
basis "O_CADPAC-TZ2P" CARTESIAN 
#basis SET: (11s,6p,2d) -> [5s,4p,2d]
O    S
  18050.000                  0.000757
   2660.000                  0.006066
    585.700                  0.032782
    160.900                  0.132609
     51.160                  0.396839
     17.900                  0.542572
O    S
     17.900                  0.262490
      6.639                  0.769828
O    S
      2.077                  1.0
O    S
      0.7736                 1.0
O    S
      0.2558                 1.0
O    P
     49.830                  0.037778
     11.490                  0.245844
      3.609                  0.806685
O    P
      1.321                  1.0
O    P
      0.4821                 1.0
O    P
      0.1651                 1.0
O    D
      1.35                   1.0
O    D
      0.45                   1.0
end
basis "F_CADPAC-TZ2P" CARTESIAN 
#basis SET: (11s,6p,2d) -> [5s,4p,2d]
F    S
  23340.0                    0.000757
   3431.0                    0.006081
    757.7                    0.032636
    209.2                    0.131704
     66.73                   0.396240
     23.37                   0.543672
F    S
     23.37                   0.264893
      8.624                  0.767925
F    S
      2.692                  1.0
F    S
      1.009                  1.0
F    S
      0.3312                 1.0
F    P
     65.66                   0.037012
     15.22                   0.243943
      4.788                  0.808302
F    P
      1.732                  1.0
F    P
      0.6206                 1.0
F    P
      0.2070                 1.0
F    D
      2.0                    1.0
F    D
      0.6667                 1.0
end
basis "Ne_CADPAC-TZ2P" CARTESIAN 
#basis SET: (11s,6p,2d) -> [5s,4p,2d]
Ne    S
  28660.0                    0.000767
   4263.0                    0.006068
    946.8                    0.032474
    261.5                    0.121468
     83.34                   0.397723
     29.17                   0.542491
Ne    S
     29.17                   0.269065
     10.76                   0.764121
Ne    S
      3.343                  1.0
Ne    S
      1.241                  1.0
Ne    S
      0.4063                 1.0
Ne    P
     84.84                   0.036154
     19.71                   0.239503
      6.219                  0.811934
Ne    P
      2.211                  1.0
Ne    P
      0.7853                 1.0
Ne    P
      0.2566                 1.0
Ne    D
      2.4                    1.0
Ne    D
      0.8                    1.0
end
basis "Si_CADPAC-TZ2P" CARTESIAN 
#basis SET: (12s,9p,3d) -> [9s,6p,3d]
Si    S
  69379.23                   0.00031745878
  10354.94                   0.0024856925
   2333.8796                 0.013030250
    657.14295                0.052260491
Si    S
    214.30113                1.0
Si    S
     77.629168               1.0
Si    S
     30.630807               1.0
Si    S
     12.801295               1.0
Si    S
      3.9268663              1.0
Si    S
      1.4523433              1.0
Si    S
      0.25623427             1.0
Si    S
      0.094279218            1.0
Si    P
    335.48319                0.0035511893
     78.900366               0.027356818
     24.988150               0.11649209
      9.2197114              0.29304509
Si    P
      3.6211402              1.0
Si    P
      1.4513101              1.0
Si    P
      0.50497692             1.0
Si    P
      0.18631667             1.0
Si    P
      0.06543200             1.0
Si    D
      1.86                   1.0
Si    D
      0.59                   1.0
Si    D
      0.20                   1.0
end
basis "P_CADPAC-TZ2P" CARTESIAN 
#basis SET: (12s,9p,3d) -> [9s,6p,3d]
P    S
  77492.429                  0.00032906498
  11605.789                  0.0025517411
   2645.9649                 0.013130174
    754.97623                0.051896915
P    S
    248.75468                1.0
P    S
     91.156530               1.0
P    S
     36.225668               1.0
P    S
     15.211316               1.0
P    S
      4.7138230              1.0
P    S
      1.7826948              1.0
P    S
      0.34252100             1.0
P    S
      0.12463132             1.0
P    P
    384.84336                0.0037125225
     90.552096               0.028587931
     28.805685               0.12113631
     10.688374               0.30147790
P    P
      4.2520977              1.0
P    P
      1.7405277              1.0
P    P
      0.59789296             1.0
P    P
      0.22921800             1.0
P    P
      0.083827970            1.0
P    D
      1.99                   1.0
P    D
      0.63                   1.0
P    D
      0.22                   1.0
end
basis "S_CADPAC-TZ2P" CARTESIAN 
#basis SET: (12s,9p,3d) -> [9s,6p,3d]
S    S
  93413.396                  0.00030654032
  13961.657                  0.0023915122
   3169.9098                 0.012358114
    902.45634                0.049039750
S    S
    297.15842                1.0
S    S
    108.70201                1.0
S    S
     43.155299               1.0
S    S
     18.107948               1.0
S    S
      5.5704717              1.0
S    S
      2.1427164              1.0
S    S
      0.43399430             1.0
S    S
      0.15701692             1.0
S    P
    495.03999                0.0031182213
    117.22119                0.024213249
     37.506558               0.10593219
     13.909968               0.28269850
S    P
      5.5045015              1.0
S    P
      2.2432812              1.0
S    P
      0.77617992             1.0
S    P
      0.29187047             1.0
S    P
      0.10286700             1.0
S    D
      2.12                   1.0
S    D
      0.67                   1.0
S    D
      0.23                   1.0
end
basis "Cl_CADPAC-TZ2P" CARTESIAN 
#basis SET: (12s,9p,3d) -> [9s,6p,3d]
Cl    S
 105818.82                   0.00030547509
  15872.006                  0.0023651510
   3619.6548                 0.012189277
   1030.8038                 0.048413396
Cl    S
    339.90788                1.0
Cl    S
    124.53810                1.0
Cl    S
     49.513502               1.0
Cl    S
     20.805604               1.0
Cl    S
      6.4648238              1.0
Cl    S
      2.5254537              1.0
Cl    S
      0.53783215             1.0
Cl    S
      0.19349716             1.0
Cl    P
    589.77639                0.0029332779
    139.84860                0.022934282
     44.794920               0.10198374
     16.612069               0.27845962
Cl    P
      6.5994980              1.0
Cl    P
      2.7141323              1.0
Cl    P
      0.95279614             1.0
Cl    P
      0.35804401             1.0
Cl    P
      0.12498600             1.0
Cl    D
      2.25                   1.0
Cl    D
      0.71                   1.0
Cl    D
      0.24                   1.0
end
