! 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   0.9549604567  -1.3884457676   2.5570459389
Cl   4.1559039999  -1.6036734267  -1.6965724105
O   -2.1063594194   0.1937946868  -0.3581872049
O   -1.7595919703  -1.0725666691   1.4633703970
N   -0.4168955044   2.2740473029   0.7578721860
N   -1.1118227743   3.0362224077  -0.0888291057
N    1.0583278952   3.5878634743  -0.1385452665
C   -1.1988065252  -0.0674634062   0.6593609698
C   -2.8951351566  -0.9769326962  -0.5474897477
C   -2.9729142873  -1.5120421048   0.8712556808
C   -1.0357175299   1.2079484044   1.5014137402
C    0.1463149484  -0.5169849917   0.0903913900
C   -4.2206116575  -0.6096690186  -1.1730417803
C   -4.0859499993  -0.0371954838  -2.5755698432
C    1.1557630299  -1.0911522147   0.8613842976
C    0.4301303441  -0.2801951997  -1.2513574009
C    2.3867943783  -1.4322044897   0.3207936447
C    1.6492127282  -0.6110036799  -1.8182546169
C    0.8755102806   2.6112267430   0.7149457687
C    2.6208979336  -1.1880043375  -1.0207954547
C   -0.1888449712   3.8084120931  -0.6001972767
H   -2.3619040912  -1.6883300471  -1.1940240223
H   -3.8319139922  -1.0988990384   1.4120960578
H   -3.0262432092  -2.6005243219   0.9122983732
H   -0.4235827023   1.0039124265   2.3778417277
H   -2.0133632433   1.5417312598   1.8482502972
H   -4.7418476558   0.0981214022  -0.5220248457
H   -4.8337773654  -1.5145848658  -1.2021736265
H   -3.5863927380  -0.7391944573  -3.2461829104
H   -5.0666098281   0.1792248222  -3.0004818487
H   -3.5150682212   0.8921377382  -2.5801038030
H   -0.3192782569   0.1814146138  -1.8790225391
H    3.1508601997  -1.8775831411   0.9428720243
H    1.8321165402  -0.4127867182  -2.8651310726
H    1.6301589767   2.1309093969   1.3189686592
H   -0.4238586138   4.5674745858  -1.3304266656
*