! 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  -5.6796149983   0.0036016683   0.3977743512
O    2.5091366927  -1.2552136245  -1.5381928488
O    0.0211499517  -1.0295441096  -0.4675117050
N    1.1389704939   0.9849629414  -0.1108573703
N    1.4304322308   1.3734146935  -1.3575942488
N    1.1599413996   3.1519761289  -0.0316440162
C    3.6301003079  -0.8184862598   0.6108242465
C    2.3359858304  -1.2060106838  -0.1482028697
C    1.0690716405  -0.4194257473   0.2320481609
C    4.2313140716   0.5193521144   0.1732883159
C    3.3704380450  -0.7951902183   2.1182074256
C    4.6567451942  -1.9185563826   0.3163544762
C    0.9800809847   2.0608491663   0.6687844539
C   -1.2743894675  -0.7319023444  -0.1961404755
C    1.4320791667   2.6776604391  -1.2638141709
C   -2.1993122221  -1.2141925140  -1.1194063121
C   -1.7180588325  -0.0260971532   0.9148828018
C   -3.5515260620  -0.9961290005  -0.9372427372
C   -3.0770706939   0.2002872677   1.0938033756
C   -3.9856844255  -0.2819237869   0.1705665262
H    2.1050211388  -2.2318902257   0.1634468673
H    0.9197545026  -0.4740974399   1.3135165973
H    5.2075691514   0.6502025734   0.6449651854
H    4.3964845658   0.5688663025  -0.9042175419
H    3.6339968940   1.3826948728   0.4670125781
H    4.3136577362  -0.7103082327   2.6610799419
H    2.8815999768  -1.7101955505   2.4624700155
H    2.7553064546   0.0509064994   2.4322196645
H    4.2918732504  -2.9028086323   0.6202165332
H    5.5827885089  -1.7312295115   0.8630219647
H    4.9064424355  -1.9700123932  -0.7437523812
H    2.4668722977  -0.3583326019  -1.8975069734
H    0.7487564595   2.0030662271   1.7211913779
H    1.6358919848   3.3104960908  -2.1131432572
H   -1.8538582174  -1.7691345812  -1.9823056049
H   -1.0443661991   0.3468866384   1.6728570291
H   -4.2584717753  -1.3795846198  -1.6604108394
H   -3.4112346904   0.7547869453   1.9600592556
*