! 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   0.0232146336  -0.9633664554   2.1585509820
Cl   0.2564283705  -5.1663755029  -1.1043645741
O   -0.5664023586   1.3162033346   0.3467420604
O    0.4505272120   1.4621380183  -1.6222110328
N    1.8476946427   2.6619293203   0.5830874337
N    1.5607236142   3.1069751180   1.8053401424
N    1.9071036174   4.8219778853   0.4110284361
C    0.5167743445   0.8337880198  -0.3769739723
C   -1.6268889034   1.6042641821  -0.5603193349
C   -0.9145204261   1.6988050853  -1.9189913440
C   -2.7238681691   0.5547032925  -0.5396164267
C    1.8324892721   1.2555806289   0.2811122157
C    0.4696245867  -0.6876527544  -0.5274341295
C   -3.4309418558   0.4166089851   0.8010719731
C    0.2312945144  -1.5490708056   0.5429795710
C    0.6738400953  -1.2671188438  -1.7756150385
C   -4.4869166179  -0.6774659032   0.7810535095
C    0.1638254188  -2.9235649083   0.3749541079
C    0.6137121330  -2.6366091146  -1.9727881180
C    2.0442023645   3.6935092732  -0.2417291893
C    0.3495853786  -3.4547905691  -0.8893132095
C    1.6115762991   4.4044996147   1.6573626624
H   -2.0414262209   2.5716362764  -0.2633754986
H   -1.2951519597   0.9562427436  -2.6283511999
H   -1.0033259692   2.6842492874  -2.3764199271
H   -2.3146347573  -0.4135077545  -0.8478607987
H   -3.4524003816   0.8331853738  -1.3091967213
H    2.6558158169   1.0162340808  -0.3921727128
H    2.0045660640   0.7183996334   1.2104071230
H   -3.8938245781   1.3712289995   1.0697399190
H   -2.6997180889   0.1981305620   1.5822184030
H    0.8823554490  -0.6359030131  -2.6282091989
H   -4.0427358244  -1.6516073744   0.5653240793
H   -4.9975401478  -0.7574617826   1.7418042761
H   -5.2476054086  -0.4889617887   0.0205582633
H   -0.0304088814  -3.5669735079   1.2219484937
H    0.7692005955  -3.0512659517  -2.9590018564
H    2.2929029009   3.5782844556  -1.2842928088
H    1.4348623475   5.0785167766   2.4813447033
*