# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# MIDI! version number 1
# Description: VDZP Valence Double Zeta + Polarization on some atoms
# 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
#      VDZ Valence Double Zeta: 2 Functions.'s/Valence AO
#          duijneveldt1971a
# 
#  Li
#      
#          thompson2001a
# 
#  C-F,P-Cl
#      VDZP    Valence Double Zeta + Polarization on some atoms
#          easton1996a
# 
#  Si,Br,I
#      VDZP    Valence Double Zeta + Polarization on some atoms
#          li1998a
# 
# 
# 
# duijneveldt1971a
#     van Duijneveldt, F. B.
#     
#     Gaussian basis sets for the atoms H-Ne for use in molecular
#             calculations
#     'IBM Research Laboratory'
#     Technical Report RJ 945, 1971
# 
# easton1996a
#     Easton, R. Evan, Giesen, David J., Welch, Andrew, Cramer, Christopher
#             J., Truhlar, Donald G.
#     The MIDI! basis set for quantum mechanical calculations of molecular
#             geometries and partial charges
#     Theor. Chim. Acta 93, 281 (1996)
#     10.1007/s002140050153
# 
# li1998a
#     Li, Jiabo, Cramer, Christopher J., Truhlar, Donald G.
#     MIDI! basis set for silicon, bromine, and iodine
#     Theor. Chem. Acc. 99, 192--196 (1998)
#     10.1007/s002140050323
# 
# thompson2001a
#     Thompson, Jason D., Winget, Paul, Truhlar, Donald G.
#     MIDIX basis set for the lithium atom: Accurate geometries and atomic
#             partial charges for lithium compounds with minimal
#             computational cost
#     PhysChemComm 4, 72-77 (2001)
#     10.1039/B105076C
# 
# # 
basis "H_MIDI!" SPHERICAL 
#basis SET: (3s) -> [2s]
H    S
      4.501800               0.070452
      0.681444               0.407826
H    S
      0.151398               1.000000
end
basis "Li_MIDI!" SPHERICAL 
#basis SET: (6s,1p) -> [3s,1p]
Li    S
     35.0461500              0.737600000E-01
      5.20169000             0.397471000
      1.05624000             0.665092000
Li    S
      0.715170000           -0.939700000E-01
      0.705300000E-01        0.570100000
Li    S
      0.273500000E-01        1.000000
Li    P
      0.5                    1.000000
end
basis "C_MIDI!" SPHERICAL 
#basis SET: (6s,3p) -> [3s,2p]
C    S
    153.17226                0.070740
     23.073030               0.395380
      4.9232900              0.663311
C    S
      5.725570              -0.081380
      0.455040               0.574853
C    S
      0.147070               1.000000
C    P
      4.251310               0.109931
      0.863270               0.462713
C    P
      0.201350               1.000000
end
basis "N_MIDI!" SPHERICAL 
#basis SET: (6s,3p,1d) -> [3s,2p,1d]
N    S
    218.36449                0.067870
     32.598890               0.390202
      6.9173900              0.670083
N    S
      8.326380              -0.080890
      0.659190               0.567202
N    S
      0.210090               1.000000
N    P
      6.120350               0.115919
      1.259380               0.469958
N    P
      0.291450               1.000000
N    D
      0.850000               1.000000
end
basis "O_MIDI!" SPHERICAL 
#basis SET: (6s,3p,1d) -> [3s,2p,1d]
O    S
    281.86658                0.069060
     42.416000               0.393159
      9.0956200              0.665669
O    S
     11.46603               -0.080820
      0.887860               0.582090
O    S
      0.278800               1.000000
O    P
      8.047240               0.124271
      1.668420               0.476594
O    P
      0.372510               1.000000
O    D
      0.800000               1.000000
end
basis "F_MIDI!" SPHERICAL 
#basis SET: (6s,3p,1d) -> [3s,2p,1d]
F    S
    368.37112                0.067040
     55.061060               0.389249
     11.747670               0.670788
F    S
     15.15184               -0.080550
      1.151370               0.587729
F    S
      0.358110               1.000000
F    P
     10.57707                0.126270
      2.194980               0.477948
F    P
      0.479370               1.000000
F    D
      1.000000               1.000000
end
basis "Si_MIDI!" SPHERICAL 
#basis SET: (9s,6p,1d) -> [4s,3p,1d]
Si    S
    910.6550                 0.066082
    137.3360                 0.386229
     29.76010                0.672380
Si    S
     36.67160               -0.104511
      8.317290               0.107410
      2.216450               0.951446
Si    S
      1.079130              -0.376108
      0.302422               1.251650
Si    S
      0.093339               1.0
Si    P
     36.67160                0.113355
      8.317290               0.457578
      2.216450               0.607427
Si    P
      1.079130               0.067103
      0.302422               0.956883
Si    P
      0.093339               1.0
Si    D
      0.4                    1.0
end
basis "P_MIDI!" SPHERICAL 
#basis SET: (9s,6p,1d) -> [4s,3p,1d]
P    S
   1053.2658                 0.065865
    158.79044                0.384578
     34.424407               0.673963
P    S
     45.45038               -0.092655
      3.899926               0.626513
      1.488507               0.441039
P    S
      2.300841              -0.180549
      0.298959               0.680952
P    S
      0.108854               1.000000
P    P
     46.100019               0.105388
     10.165057               0.459712
      2.644794               0.613714
P    P
      0.632686               0.235885
      0.240219               0.554160
P    P
      0.086447               1.000000
P    D
      0.250000               1.000000
end
basis "S_MIDI!" SPHERICAL 
#basis SET: (9s,6p,1d) -> [4s,3p,1d]
S    S
   1201.4584                 0.065765
    181.39212                0.383948
     39.404795               0.674372
S    S
     52.13903               -0.094232
      4.528799               0.635468
      1.754938               0.431506
S    S
      2.840437               0.190042
      0.381433              -0.685527
S    S
      0.138786               1.000000
S    P
     54.644071               0.103673
     12.122902               0.458190
      3.2065040              0.613400
S    P
      0.318130               1.000000
S    P
      0.863274               0.229436
      0.108679               0.353700
S    D
      0.400000               1.000000
end
basis "Cl_MIDI!" SPHERICAL 
#basis SET: (9s,6p,1d) -> [4s,3p,1d]
Cl    S
   1362.0220                 0.065544
    205.81110                0.382987
     44.772167               0.675210
Cl    S
     59.225732              -0.095620
      5.213902               0.641426
      2.047346               0.425153
Cl    S
      3.419712               0.196401
      0.470017              -0.692360
Cl    S
      0.169958               1.000000
Cl    P
     64.099958               0.101789
     14.287139               0.456107
      3.828135               0.614282
Cl    P
      0.396004               1.000000
Cl    P
      1.095126               0.235903
      0.132176               0.346600
Cl    D
      0.650000               1.000000
end
basis "Br_MIDI!" SPHERICAL 
#basis SET: (12s,9p,4d) -> [5s,4p,2d]
Br    S
   6103.2899                 0.06241800
    923.69743                0.37204100
    202.52031                0.68587300
Br    S
    270.60150               -0.11214900
     58.253570               0.09314500
     18.469330               0.96167900
Br    S
     19.761420              -0.29387000
      6.8217520              0.28026600
      2.2916290              0.90203600
Br    S
      2.1312060             -0.65180300
      0.4993540              1.33601200
Br    S
      0.1647640              1.0
Br    P
    270.60150                0.14775100
     58.253570               0.60105600
     18.469330               0.41287000
Br    P
     19.761420               0.02500700
      6.8217520              0.48661000
      2.2916290              0.58242300
Br    P
      2.1312060              0.02870800
      0.4993540              0.98407000
Br    P
      0.1647640              1.0
Br    D
     33.965097               0.14966700
      8.9008310              0.51174800
      2.4284360              0.57591500
Br    D
      0.40                   1.0
end
basis "I_MIDI!" SPHERICAL 
#basis SET: (15s,12p,7d) -> [6s,5p,3d]
I    S
  14351.186                  0.061003
   2173.0741                 0.366640
    477.87205                0.691131
I    S
    648.1887                -0.112851
    140.3064                 0.083228
     45.69880                0.969752
I    S
     56.69469               -0.273697
     27.48875                0.046500
      8.209096               1.091576
I    S
      8.191679              -0.450828
      3.244596               0.463209
      1.300489               0.838636
I    S
      1.451380              -0.665852
      0.328103               1.328584
I    S
      0.115076               1.00000
I    P
    648.1887                 0.154114
    140.3064                 0.619462
     45.69880                0.383758
I    P
     56.69469               -0.152322
     27.48875                0.543769
      8.209096               0.656168
I    P
      8.191679               0.011870
      3.244596               0.526525
      1.300489               0.526608
I    P
      1.451380               0.027541
       .3281030              0.985137
I    P
      0.115076               1.00000
I    D
    128.09026                0.115864
     35.982378               0.482049
     11.551116               0.589445
I    D
      6.146152               0.268182
      2.220937               0.580061
      0.809912               0.326226
I    D
      0.40                   1.0
end
