! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl  -6.0363155856   1.8152295466  -2.0208482860
O    3.0145066667   1.5543216092  -0.2336802213
O    1.5471936550  -1.2761728879   2.3987495834
N    2.3239630409  -0.5082494054   0.4107259152
N    1.6904477874  -2.7534171296   0.6814277782
N    0.6318506963  -4.5697446662   0.0317784701
C    2.5862430818   0.8656361230   0.9222264877
C    2.6349581357  -0.6025858902  -1.0380603711
C    2.5625427774   0.8819269025  -1.3856484528
C    1.3438775004   1.5385523574   1.5192498613
C    3.7376257823   0.8875666767   1.9155644383
C    4.0458450884  -1.1310954149  -1.2766004084
C    1.6159767630  -1.3573250349  -1.8793083059
C    0.0737420858   1.4936028452   0.6808083840
C    1.8545297690  -1.4445287266   1.2352939926
C   -1.1227256256   2.0604269200   1.4480628203
C   -2.3739750767   2.0195895043   0.6197279157
C    2.6548092262  -3.7107273701   0.4883587946
C    0.4939604704  -3.3288644095   0.4046695780
C   -2.7659809791   3.1145394926  -0.1451754553
C   -3.1419204721   0.8594769017   0.5493385939
C    1.9772017646  -4.8194761239   0.0838065883
C   -3.8890387691   3.0625146290  -0.9582876017
C   -4.2673324067   0.7859861038  -0.2574571680
C   -4.6304416452   1.8933431015  -1.0077161782
H    3.2145509121   1.1360107065  -2.2216651584
H    1.5406911403   1.1716847629  -1.6539613789
H    1.6204909742   2.5819531950   1.6965510490
H    1.1450500061   1.1124084579   2.5018137291
H    3.9844114716   1.9197860593   2.1659670542
H    4.6267985784   0.4172769176   1.4957214638
H    3.4820811029   0.3782110175   2.8414982480
H    4.2788918736  -1.0790609070  -2.3406112395
H    4.1494702972  -2.1715940556  -0.9758472318
H    4.7952645501  -0.5464707592  -0.7429273774
H    0.5912826393  -1.1157541852  -1.5951759301
H    1.7435378822  -1.0493376871  -2.9185148274
H    1.7502535413  -2.4366894649  -1.8563869431
H    0.1996827962   2.0654991629  -0.2412455708
H   -0.1617406849   0.4673987012   0.3818469295
H   -0.9081425369   3.0885951629   1.7493546840
H   -1.2661260047   1.4858305895   2.3667372693
H    3.6976138133  -3.5357203494   0.6898212940
H   -0.4370985438  -2.7895279737   0.4850580268
H   -2.1882159698   4.0301243043  -0.1090007409
H   -2.8623067908  -0.0072495531   1.1364469067
H    2.3885586055  -5.7850072714  -0.1624083614
H   -4.1786835150   3.9249750902  -1.5430143559
H   -4.8517155023  -0.1232269109  -0.2962900827
*