! 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   1.8888767027   2.1556080933   0.3825410389
O   -3.3478430485   1.7944796256   0.0673946689
O    1.4377532149  -2.5239647447  -0.1727965878
N    0.2455505410  -0.6103955112   0.0788155641
N    4.2363197257   0.9965616443   0.0897569717
N    4.8729705428  -0.1612095333  -0.0971712702
C   -4.2899997342   0.7170855543   0.0696177810
C   -3.4192417308  -0.5091861570   0.1101864187
C   -2.0161983286   1.3547753650  -0.1422487998
C   -2.0940776832  -0.1374639302   0.0301707084
C   -5.1445182010   0.7654704023  -1.1935988094
C   -5.1582647824   0.8419156324   1.3145316088
C   -1.0708384849  -1.0848483224   0.0951089107
C   -3.7897435403  -1.8390991281   0.2162833596
C   -1.5186404963   1.7803429966  -1.5182883313
C   -1.4353253792  -2.4288414427   0.2036312134
C   -2.7780956251  -2.7867446364   0.2544873410
C    1.4052746979  -1.3125905870  -0.0408039855
C    2.6537396557  -0.5353495094  -0.0113924857
C    3.9502361224  -1.0963252531  -0.1602247056
C    2.9166381879   0.8171680849   0.1457931119
C    4.3548758372  -2.5116761765  -0.3654519148
C    4.9721887312   2.2345656957   0.2013943627
H   -1.3858558630   1.8224853954   0.6272110339
H   -4.5347863358   0.6827171841  -2.0942992895
H   -5.7056159110   1.7003147564  -1.2459017610
H   -5.8645897697  -0.0539014303  -1.2032939077
H   -5.8871220137   0.0320653441   1.3617895278
H   -5.7116318204   1.7828675128   1.3080776537
H   -4.5552522480   0.8054490622   2.2226732824
H   -4.8289157483  -2.1377904902   0.2745113243
H   -2.1186509101   1.3298251873  -2.3097866152
H   -1.5671015175   2.8648494858  -1.6229421329
H   -0.4824426116   1.4839246026  -1.6866437513
H   -0.6892498339  -3.2032770584   0.2586220111
H   -3.0287588790  -3.8362145938   0.3395783278
H    0.3281661085   0.3851412192   0.1988699266
H    3.9135585544  -2.9323032155  -1.2678849612
H    5.4385448562  -2.5658537014  -0.4578343634
H    4.0517573671  -3.1434998980   0.4684037221
H    4.6869416977   2.9296488376  -0.5861516387
H    4.8098881136   2.6994850094   1.1721266339
H    6.0258765650   1.9981620314   0.0964050469
*