! 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   0.2588473720  -0.0131213354   1.9423434706
Cl  -4.5284513800   0.8763916497  -0.2859023066
O    0.4808453067  -3.0079864047   0.6617539420
N    1.4336449125  -2.4038248865  -0.1004575750
N    3.5151104018   2.0056672907   0.6967770097
C    1.9694082456  -0.5840725299  -1.5409940487
C    1.0103458778  -1.3617010633  -0.6863756639
C   -0.3671431916  -0.8299401379  -0.5566340115
C    2.2399698837   0.7522172350  -0.9030339671
C   -0.8047418973  -0.1855187435   0.5958471905
C   -1.2481235708  -0.9282728510  -1.6278113387
C    1.4579227587   1.8701739663  -1.1597793366
C    3.2534466608   0.8850468655   0.0408748220
C   -2.0800491955   0.3477671819   0.6890911722
C   -2.5324535405  -0.4152027425  -1.5580208663
C   -2.9333865755   0.2205877911  -0.3946168425
C    1.7159043018   3.0468897541  -0.4737337113
C    2.7523734406   3.0633807062   0.4449578336
C    1.0523764411  -4.0623014046   1.4095852115
H    2.8934658999  -1.1520418488  -1.6548477477
H    1.5443985848  -0.4450321498  -2.5385588056
H   -0.9282992670  -1.4228830050  -2.5362225183
H    0.6567748564   1.8274455389  -1.8880687698
H    3.8856111661   0.0328528887   0.2732593286
H   -2.4000675358   0.8517285832   1.5904802727
H   -3.2050722403  -0.5116757207  -2.3988991050
H    1.1255017069   3.9363347677  -0.6471699189
H    2.9810838591   3.9684741536   0.9965584578
H    1.8170882679  -3.7028250072   2.1024779105
H    1.4857548410  -4.8322164211   0.7663585181
H    0.2385022428  -4.5016577075   1.9841326466
*