! 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   5.4278757468   2.4002613633   0.6341201559
O   -2.4677514005  -1.4016039068   1.4377993174
N   -1.2812626027  -2.5531581456  -0.8473818496
N   -0.0195859934  -2.4480620613  -1.2743313588
N   -0.3691495157  -4.4650128646  -0.3705881391
C   -2.2408192775  -0.5685895191   0.3133450685
C   -3.4661061848   0.4032889624   0.2434341801
C   -0.8741021224   0.1117407008   0.5273733457
C   -2.2206807076  -1.4601290661  -0.9476764707
C   -3.3361051308   1.5029941305   1.3002826326
C   -3.6166459829   1.0577578746  -1.1356512746
C   -4.7715895187  -0.3580474818   0.5229803463
C   -0.3147020927   1.0271688517  -0.5632244758
C    1.1187912778   1.3838807419  -0.2776769732
C   -1.4738101332  -3.7586636334  -0.3085805626
C    2.1415222825   0.4766021182  -0.5494831959
C    1.4597580226   2.6083006364   0.2873708230
C    0.4877346345  -3.6158904585  -0.9685141216
C    3.4651989730   0.7782807478  -0.2715176371
C    2.7798578153   2.9303143429   0.5719299191
C    3.7735306402   2.0088036122   0.2885667189
H   -0.1407732727  -0.6868138300   0.6860470972
H   -0.9057903022   0.6628009202   1.4701518549
H   -3.2041661125  -1.8993013859  -1.1122201875
H   -1.9682768564  -0.8991974560  -1.8446174689
H   -4.2593061644   2.0843254736   1.3475883132
H   -2.5321314390   2.2069112939   1.0783852400
H   -3.1616244405   1.0937040187   2.2966688746
H   -2.7226172137   1.5797788600  -1.4714748242
H   -4.4193992557   1.7966201204  -1.0989734277
H   -3.8901574970   0.3401811658  -1.9106616876
H   -4.9259542992  -1.2026993667  -0.1510687010
H   -4.8287345674  -0.7317106603   1.5439634809
H   -5.6184372637   0.3153249482   0.3768488291
H   -0.8985981100   1.9448987562  -0.6351421737
H   -0.3707441986   0.5399231199  -1.5385558414
H   -1.6238976682  -1.7022536767   1.7904025909
H   -2.4216007139  -4.0770260015   0.0959666275
H    1.9009935447  -0.4840470718  -0.9900762639
H    0.6867493488   3.3346525842   0.5087085583
H    1.5139479734  -3.8648071650  -1.1909848027
H    4.2450723961   0.0622454491  -0.4940041155
H    3.0243686160   3.8904474357   1.0061311359
*