! 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  -0.3015220911   1.0086870906  -2.5485423589
Cl   3.8847300377   2.5750010445   0.3515841888
O   -2.3442356605   0.2313969344  -0.5484638682
O   -1.6788039774  -0.8378793692   1.3117617264
N    0.0422502583  -2.5410626259  -0.3847690028
N    1.2275789174  -2.3804958084  -0.9780102103
N    1.4169490004  -3.7377151617   0.7915476431
C   -1.2970490603  -0.5093424796   0.0100646927
C   -3.4709211246   0.2355951441   0.3284336856
C   -3.0930286499  -0.8224292936   1.3587721204
C   -1.1126668058  -1.7994271757  -0.8183562750
C   -0.0079071156   0.2936234237   0.0748164181
C   -3.7348878333   1.6267077158   0.8816885931
C   -2.6027770217   2.2445495381   1.6874181130
C    0.5057926347   0.9880919112  -1.0172801219
C    0.7339431302   0.3188993117   1.2517994256
C    1.6965792703   1.6944308466  -0.9410458805
C    1.9294481316   1.0089598050   1.3539167609
C    0.1714241557  -3.3451697853   0.6747454180
C    2.3989347203   1.6976317913   0.2506083367
C    2.0192537127  -3.1172018765  -0.2427030494
H   -4.3466365503  -0.0852109857  -0.2423182176
H   -3.4055826276  -0.5815410891   2.3750642281
H   -3.5093101406  -1.8025561518   1.1004811112
H   -0.9888352206  -1.5744365808  -1.8747006601
H   -1.9995414445  -2.4279248970  -0.7202790409
H   -3.9865922860   2.2846128281   0.0453566364
H   -4.6392900398   1.5640131449   1.4939776019
H   -1.7004730830   2.3685568324   1.0882696563
H   -2.8929396938   3.2353879431   2.0391345777
H   -2.3421128360   1.6564158072   2.5684467676
H    0.3771938627  -0.2113934710   2.1223583510
H    2.0684385357   2.2311075638  -1.8028121388
H    2.4791699840   1.0062087148   2.2848142465
H   -0.6544287931  -3.6231000465   1.3103868632
H    3.0710776407  -3.2156007839  -0.4626267706
*