! 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  -5.6643430446   0.0548765805   0.3736498750
O    2.5056222511  -1.2608051873  -1.5405374006
O    0.0268757776  -1.0670799164  -0.4423440116
N    1.1250101602   0.9598738133  -0.0938237491
N    1.3940828655   1.3541688782  -1.3437770980
N    1.1215572349   3.1266063236  -0.0098413601
C    3.6442621773  -0.8116260248   0.5973746361
C    2.3473306957  -1.2158872095  -0.1481973060
C    1.0754177783  -0.4457180294   0.2468051323
C    4.2251580089   0.5326159157   0.1522083161
C    3.3995056853  -0.7893386535   2.1072995340
C    4.6808782543  -1.8998083102   0.2945567432
C    0.9636841250   2.0318006209   0.6903669662
C   -1.2669240286  -0.7510213171  -0.1830833666
C    1.3819225042   2.6581871468  -1.2467098494
C   -2.1885676086  -1.1940730684  -1.1285285935
C   -1.7112762570  -0.0640362274   0.9395616343
C   -3.5389356898  -0.9556186802  -0.9569858574
C   -3.0676730433   0.1846337030   1.1072041498
C   -3.9733230038  -0.2588627153   0.1616424519
H    2.1334806079  -2.2451067782   0.1647282519
H    0.9385712006  -0.5039265270   1.3297604653
H    4.3787080460   0.5830238924  -0.9269579152
H    3.6211402209   1.3894638410   0.4513512563
H    5.2046952474   0.6751023694   0.6137210321
H    4.3473079076  -0.6953805032   2.6405786660
H    2.9227227964  -1.7086650305   2.4569852567
H    2.7797879173   0.0512503746   2.4270592310
H    4.3331099839  -2.8869950216   0.6094630990
H    5.6122180284  -1.6973372829   0.8270959343
H    4.9164340985  -1.9543881190  -0.7687293854
H    2.4450855613  -0.3632014086  -1.8969275614
H    0.7459748806   1.9683241292   1.7453148688
H    1.5676628543   3.2950076345  -2.0971979000
H   -1.8428457807  -1.7324466999  -2.0017302355
H   -1.0394418059   0.2748721136   1.7152205886
H   -4.2435452980  -1.3062212843  -1.6988923304
H   -3.4023166361   0.7232904365   1.9832251943
*