! 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   3.6727455649   4.1387360034   0.7323588234
O   -0.7148573315  -0.4390529833   1.1563708358
N   -1.4311909016  -3.0519064714   0.0025532307
N   -0.4202888237  -3.2614348290   0.8515841497
N   -0.4391389837  -4.8389550400  -0.7283735543
C   -1.6034784398  -0.5698277969   0.0695458472
C   -2.6397049397   0.5924538022   0.2192135214
C   -0.8655162943  -0.4983104288  -1.2991089381
C   -2.3287566859  -1.9289117991   0.1784868177
C   -3.4301717614   0.4669064113   1.5279592935
C   -1.9068873454   1.9391942103   0.2500726726
C   -3.6400898851   0.6092254337  -0.9402785131
C    0.6565573320  -0.6834652814  -1.2724982721
C    1.4182309391   0.5099780782  -0.7603221664
C   -1.4285632370  -3.9989705463  -0.9344429669
C    1.3949405721   1.7116304815  -1.4642773250
C    2.1723075199   0.4561852148   0.4068676742
C    0.1490521392  -4.3415057126   0.3727605795
C    2.0808785821   2.8303476029  -1.0171708867
C    2.8708868263   1.5607632626   0.8712784437
C    2.8124451600   2.7454682785   0.1560922773
H   -1.0669343011   0.4543341711  -1.7904624852
H   -1.2835595762  -1.2449152292  -1.9797590992
H   -2.8020779069  -2.0399259107   1.1536505280
H   -3.1026454768  -2.0265783213  -0.5801716626
H   -4.0654156455   1.3457639157   1.6583685326
H   -2.7772480977   0.4058716618   2.3987450062
H   -4.0955906867  -0.3983990692   1.5431005145
H   -2.6310772275   2.7461602101   0.3819969194
H   -1.3646147717   2.1495112371  -0.6722734279
H   -1.1927462716   2.0016945803   1.0701119804
H   -3.1621204943   0.7256972949  -1.9138328889
H   -4.2581356218  -0.2897690099  -0.9809564792
H   -4.3248759488   1.4516311717  -0.8232290822
H    0.9688247641  -0.8704866070  -2.3038247493
H    0.9480692828  -1.5762714160  -0.7168101569
H   -0.2766792154  -1.2866405353   1.3174142375
H   -2.1580552968  -4.0415768520  -1.7280555650
H    0.8315465640   1.7858602665  -2.3874401601
H    2.2252069922  -0.4650592387   0.9737091969
H    1.0156661455  -4.7838528629   0.8388730857
H    2.0451947484   3.7532317429  -1.5805920159
H    3.4483683242   1.4950353409   1.7838222445
*