! 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   0.4160541059  -0.4001051311  -1.9341100720
Cl  -4.4774832425   0.9666953263  -0.2453208047
O    0.4812103925  -3.1248883201  -0.1708615922
N    1.3850449176  -2.4160063847   0.5618015876
N    1.6000712761   3.1088422857   0.3872508095
C    1.8397216927  -0.3971319992   1.7436382490
C    0.9412770721  -1.2885486921   0.9360729421
C   -0.4087799513  -0.7674005134   0.6132071903
C    2.1650535818   0.8507814123   0.9663368884
C   -0.7437545103  -0.3193457585  -0.6603343397
C   -1.3660646035  -0.6666856753   1.6167955913
C    3.2126139961   0.8787800244   0.0540343088
C    1.3928682802   2.0005334748   1.0866343708
C   -1.9903634851   0.2184661648  -0.9360632678
C   -2.6240196327  -0.1449188794   1.3668072311
C   -2.9202848852   0.2965605726   0.0874913993
C    3.4455745093   2.0326767227  -0.6742679060
C    2.6074138394   3.1194177227  -0.4756837657
C    1.0788727796  -4.3022010263  -0.6747097405
H    1.3397765180  -0.1321452462   2.6793092030
H    2.7505657655  -0.9375081727   2.0019302781
H   -1.1264340989  -1.0072259223   2.6164462862
H    3.8395248443   0.0056554288  -0.0835546130
H    0.5657625696   2.0269678159   1.7900074571
H   -2.2298113171   0.5687849195  -1.9306376134
H   -3.3567589607  -0.0835198611   2.1594572049
H    4.2566424723   2.0911607009  -1.3873301080
H    2.7577939269   4.0366423645  -1.0342957209
H    1.4198619584  -4.9637863391   0.1252924874
H    1.9183179790  -4.0823098142  -1.3388458328
H    0.3052860022  -4.8123192756  -1.2459705394
*