! 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   5.3393108473  -3.0523699976   0.8382306626
O   -1.8950875193   1.0389476662  -1.7729925921
N   -0.8850568861   2.6649085597   0.3942305050
N    0.1175477657   2.6045953218   1.2752167120
N    0.5720090964   4.1107702486  -0.3151860928
C   -1.9726790512   0.5941776593  -0.4350027389
C   -3.1676076429  -0.3795981297  -0.2074595788
C   -0.6995310496  -0.2486619543  -0.0993892782
C   -2.5981987466  -1.4419700420   0.7318321073
C   -1.2056283778  -1.6663080446   0.1660832749
C   -4.5203546733   0.2199279179   0.1992863070
C   -2.0489998234   1.8126527180   0.5005476600
C    0.4283826947  -0.1672266630  -1.1297679995
C   -5.5300211961  -0.8864965689   0.4991121735
C   -5.0965074498   1.1343287959  -0.8822166982
C    1.6585446308  -0.8893775207  -0.6539631361
C   -0.5985518484   3.5647029470  -0.5495767943
C    2.4687483642  -0.3314208050   0.3336104943
C    2.0130400593  -2.1343483655  -1.1638592311
C    3.5982524424  -0.9860069191   0.7979723791
C    3.1393691073  -2.8081792352  -0.7114233406
C    0.9678081795   3.4863820672   0.8102861596
C    3.9249442483  -2.2250618709   0.2682956672
H   -3.3205283328  -0.8787517238  -1.1750490950
H   -0.2994775600   0.1222654498   0.8492183445
H   -3.1970864254  -2.3520561963   0.7531079386
H   -2.5413304878  -1.0651346201   1.7590587767
H   -0.5482889845  -2.2257410982   0.8323015942
H   -1.2792631423  -2.2319425770  -0.7686138289
H   -4.3959718660   0.8037253686   1.1184744371
H   -2.1232671836   1.5001984748   1.5413550456
H   -2.9232297115   2.4279515822   0.2859220435
H    0.6844182907   0.8763232973  -1.3291504971
H    0.1002905176  -0.5961920785  -2.0788151959
H   -2.7535776542   1.3769041555  -2.0466476002
H   -5.2362675028  -1.4970156666   1.3531309850
H   -5.6549066692  -1.5519450390  -0.3591799955
H   -6.5094720395  -0.4629145877   0.7291436141
H   -6.0867192889   1.4945203331  -0.5978829757
H   -5.2062698105   0.6009595169  -1.8299749233
H   -4.4963925775   2.0270509441  -1.0693932432
H   -1.2628719633   3.7967525580  -1.3662892644
H    2.2168927204   0.6361031626   0.7525203064
H    1.4060382209  -2.5933779389  -1.9349473667
H    4.2160358515  -0.5316040217   1.5611007663
H    3.3979621004  -3.7744620403  -1.1234950505
H    1.9034717517   3.6906502881   1.3075494133
*