! 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 "1-OCTANOL"
end
*xyz 0 1
Cl   0.7683548745  -1.4083378824   2.5267743953
Cl   4.3799478522  -1.5979451540  -1.3871212771
O   -1.9611768575   0.2602723723  -0.6628124616
O   -1.8153387294  -1.1110815615   1.1183560485
N   -0.4265433855   2.2673017100   0.6973696728
N    0.8754532357   2.4838228413   0.8983529070
N    0.0702704548   3.9152408336  -0.6219991955
C   -1.1722567267  -0.0659541144   0.4430482220
C   -2.9456349885  -0.7522560470  -0.8544241024
C   -3.1039339198  -1.2905522555   0.5560718241
C   -1.1095644652   1.1784771533   1.3463183503
C    0.2205964020  -0.5016486407   0.0044126160
C   -4.1958026963  -0.1491577742  -1.4567758480
C   -5.2829988232  -1.1939345774  -1.6622025469
C    1.1455226049  -1.0866373438   0.8669033568
C    0.6345383953  -0.2580224563  -1.3006281646
C    2.4211444243  -1.4316449879   0.4483237846
C    1.9037694040  -0.5873854643  -1.7455088347
C   -0.8924166006   3.1231691652  -0.2170776453
C    2.7883604145  -1.1760032794  -0.8611007750
C    1.1288475005   3.4802233511   0.0907489567
H   -2.5502677762  -1.5333066119  -1.5177127662
H   -3.8619284354  -0.7323948638   1.1200860989
H   -3.3562820350  -2.3500652487   0.5923260486
H   -0.5860061420   0.9630160757   2.2742838351
H   -2.1239864704   1.4900547270   1.5986379030
H   -3.9455839814   0.3115929191  -2.4151902471
H   -4.5607398519   0.6495656285  -0.8048847195
H   -4.9372131764  -2.0145762946  -2.2931322184
H   -5.6235742249  -1.6227898016  -0.7178729926
H   -6.1536644336  -0.7533580940  -2.1476694354
H   -0.0484987724   0.2055654486  -1.9977601672
H    3.1165707460  -1.8890333639   1.1383073565
H    2.1912206907  -0.3825956998  -2.7673177918
H   -1.9199301776   3.1374645042  -0.5438388404
H    2.1133629191   3.9153023293   0.0153286126
*