! 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   0.9240867160  -1.6828433028  -1.9757506650
Cl   4.8773148969   1.3916940995  -0.1575373417
O   -1.0640934390  -1.7988769469   0.2229692307
O   -1.4173890504  -0.0041527180   1.4938180863
N   -1.4179588590   1.6300271556  -0.9802809921
N   -0.5306069735   2.0806463465  -1.8699353178
N   -1.3051486647   3.7647254123  -0.6158995855
C   -0.8779812905  -0.4183355990   0.2758170673
C   -1.1921018246  -2.3134019413   1.5478442510
C   -1.1744991669  -1.0512182457   2.4174900870
C   -2.4449518790  -3.1651281303   1.6641352421
C   -1.6966529905   0.2238540801  -0.8517871587
C    0.5973001180  -0.0280205669   0.1760610574
C   -3.7622355255  -2.4604634268   1.3622450678
C    1.4533645281  -0.5231836347  -0.8051789857
C    1.1130957472   0.9305214083   1.0427953725
C   -4.9532541562  -3.3889177619   1.5519321325
C    2.7684539834  -0.0971187674  -0.9125638427
C    2.4218339077   1.3743042953   0.9604487505
C   -1.8663785922   2.6437863571  -0.2336059778
C    3.2410815757   0.8516980430  -0.0233470469
C   -0.4963906691   3.3630021830  -1.6175831226
H   -0.3220062042  -2.9374058447   1.7741533093
H   -1.9551295386  -1.0321382501   3.1780483911
H   -0.2092770996  -0.9233882520   2.9185456159
H   -2.4647982733  -3.5671049426   2.6825503947
H   -2.3385330384  -4.0325140426   1.0049647979
H   -2.7581359796   0.0819873046  -0.6468420605
H   -1.4718930255  -0.2482347341  -1.8050880637
H   -3.7573389350  -2.0879112751   0.3351712904
H   -3.8870236805  -1.5865955524   2.0078053311
H    0.4767024815   1.3550912418   1.8065474715
H   -5.0306945538  -3.7329408580   2.5854040201
H   -5.8910423020  -2.8908838792   1.3017006388
H   -4.8733138258  -4.2739574925   0.9172549892
H    3.4098390401  -0.4970342067  -1.6856920644
H    2.7879764926   2.1200535336   1.6522010709
H   -2.5921990798   2.5214946366   0.5548540459
H    0.1303095873   4.0377050557  -2.1800886807
*