! 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   0.7983974848   0.2251090199   2.6747723321
Cl   3.8979370131   3.4132192956  -0.2869464438
N   -1.5407635708  -2.6414689177  -0.9907059709
N   -1.1814490793  -3.6569968886  -0.2054244778
N   -3.2450994223  -3.9842940282  -1.0081107467
C   -0.5683872153  -0.6411385219   0.0575901335
C   -1.8984113606   0.0533247205   0.3985032174
C   -0.6617460020  -1.5132960192  -1.1986809572
C    0.5631657701   0.3525808949  -0.0346472188
C   -2.3842661280   1.0873672144  -0.6093731555
C    1.2283636975   0.8156259078   1.1015147392
C    0.9775591398   0.8867310508  -1.2535025964
C   -3.7144444355   1.6999303971  -0.1971858330
C    2.2498835774   1.7508759003   1.0403930445
C    1.9945385483   1.8219425422  -1.3512688412
C   -2.7724307516  -2.8473213728  -1.4608623499
C    2.6248032694   2.2470858203  -0.1955765846
C   -2.2314804896  -4.4373980868  -0.2461698227
H   -0.3420296616  -1.3244637874   0.8802871823
H   -2.6670158483  -0.7142689649   0.5359793561
H   -1.7944243332   0.5322076734   1.3757728099
H    0.3201812032  -1.9003934759  -1.4717501135
H   -1.0468562856  -0.9684724369  -2.0596317619
H   -1.6424467537   1.8831636043  -0.7155639676
H   -2.4928777018   0.6404910012  -1.6021159581
H    0.4977819775   0.5725827179  -2.1707669893
H   -4.5004587700   0.9451768812  -0.1314499831
H   -4.0424384645   2.4531623529  -0.9149211061
H   -3.6430405835   2.1861942903   0.7777332510
H    2.7429967098   2.0831326774   1.9434200294
H    2.2839663623   2.2097223915  -2.3180563944
H   -3.2734334359  -2.1581505985  -2.1232104604
H   -2.2660397340  -5.3728351647   0.2905423903
*