! 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   0.3839163378   0.3445458565  -2.9068149324
Cl   3.8180517303  -2.4585536546   0.0858752095
O   -1.0773791577   1.9186543072   0.9414822700
N   -2.4033150216  -0.6636511884   0.3842343582
N   -2.8878004065  -1.7013341947   2.2667094098
C   -0.9411910077   1.2237815954  -0.2733596143
C   -2.2097418049   0.4092667950  -0.5595843461
C    0.2704270725   0.3299033439  -0.1916001657
C    0.9209903983  -0.1381568507  -1.3287162557
C    0.7506127783  -0.1067900267   1.0399774029
C   -1.9870751560  -1.9576879222   0.2333521851
C   -2.9261707895  -0.5623199549   1.6265585067
C   -1.5952680326   3.2209647196   0.8165605117
C    2.0102296012  -0.9930288141  -1.2620150605
C    1.8334634725  -0.9627029564   1.1405459978
C    2.4562209917  -1.3981823533  -0.0166639461
C   -2.2998709071  -2.5823407570   1.4040362230
C   -0.5743843040   4.2431349234   0.4298304775
C    0.7311359297   4.0393503119   0.3139555099
H   -0.8189755635   1.9250504149  -1.1075762501
H   -3.0789756165   1.0683563974  -0.5364304699
H   -2.1683930288  -0.0132375077  -1.5627147495
H    0.2755343666   0.2289849339   1.9507694124
H   -1.5248368094  -2.3123276957  -0.6730364166
H   -3.3353351364   0.3627336683   2.0022186341
H   -2.4325505848   3.2593231871   0.1059675034
H   -2.0234226548   3.4869506238   1.7881625175
H    2.4997374508  -1.3302262915  -2.1648800924
H    2.1826901196  -1.2823335043   2.1124965737
H   -2.1354934153  -3.6162407510   1.6658930724
H   -0.9814824676   5.2332481576   0.2470076710
H    1.3951713958   4.8461973899   0.0318978649
H    1.1944374655   3.0763045794   0.4909458090
*