! 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   0.0441269897   0.3236895141  -1.9033201690
Cl   3.7393349490   2.9212278053   0.8891159104
O   -2.0461397502  -0.4696891667  -0.0459438186
O   -1.7381416844  -0.5757116037   2.1548925781
N   -0.0066091939  -2.5595619373  -0.3626877838
N    1.3166348212  -2.4503170617  -0.5039765060
N    0.3825919481  -3.1821368079  -2.4022495051
C   -1.0871118165  -0.7341466197   0.9283419465
C   -3.0421662031   0.3968485835   0.5029602295
C   -2.6444436223   0.4974775255   1.9782488526
C   -0.6686551142  -2.2075725591   0.8633362845
C    0.1172647349   0.2084583982   0.8420778078
C   -3.0949574445   1.7359166084  -0.2049159779
C   -3.5410589853   1.6379058109  -1.6545157910
C    0.6663766282   0.7089347541  -0.3371987924
C    0.7496088557   0.5622978942   2.0327778787
C    1.7747608572   1.5454563260  -0.3265012168
C    1.8578368236   1.3889651279   2.0714768183
C   -0.5507082287  -2.9921333731  -1.5034822773
C    2.3600604070   1.8801846535   0.8798341649
C    1.5037700075  -2.8311303432  -1.7412179661
H   -4.0075667312  -0.1092423639   0.3964402454
H   -2.1690641100   1.4592236668   2.2064152993
H   -3.4841222719   0.3613933820   2.6584986088
H   -1.5605538082  -2.8265387196   0.9656638418
H    0.0006380561  -2.4406076900   1.6907710501
H   -3.7933630857   2.3708106012   0.3491837830
H   -2.1180262841   2.2241211522  -0.1371257785
H   -4.5325244271   1.1879641746  -1.7352296521
H   -3.5922102020   2.6256203105  -2.1139496036
H   -2.8532683800   1.0364115417  -2.2480027225
H    0.3637439469   0.1844662300   2.9695966250
H    2.1751382107   1.9246693407  -1.2563585827
H    2.3157075181   1.6422316165   3.0174631604
H   -1.6095560818  -3.1585282163  -1.6244922548
H    2.4880567809  -2.8646762183  -2.1822751191
*