! 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   0.1123389431  -2.0006036347  -0.5655638695
Cl  -7.3975641711   0.9434719133  -2.1595597994
O    2.7689511932  -0.7519242561  -0.8254939440
O    3.4707773877   0.7569903084   0.6513049938
O   -2.7017904013   1.8091111781   1.2293007046
N    4.1449807406  -1.8996803574   1.3580126909
N    5.1719716599  -1.4121079415   2.0569623556
N    5.8691964855  -3.0072411341   0.6488161953
C    2.5430169456  -0.2634178690   0.4609073126
C    3.4215012941   0.2461700790  -1.6090543516
C    2.8179359313  -1.3629982111   1.4899757255
C    3.6498213068   1.3823781532  -0.6063263142
C    1.1130764754   0.2506240306   0.6260483036
C    4.6925295538  -0.3159528092  -2.2040672697
C   -0.0134634482  -0.4464036127   0.1943386694
C    0.8892917746   1.4635093748   1.2730919831
C   -1.2989578947   0.0433969802   0.3710455321
C   -0.3785551227   1.9857762955   1.4473547801
C   -1.4758295140   1.2736171768   0.9876681363
C    4.5755662868  -2.8429484532   0.5163643111
C    6.1821725670  -2.1068098981   1.6025543815
C   -3.7600069001   1.5629399928   0.3989629538
C   -4.9877140722   1.3185310820   0.9951467298
C   -3.6467727151   1.6236559185  -0.9840007950
C   -6.1134574578   1.1354226059   0.2078654819
C   -4.7692692715   1.4257175743  -1.7718480509
C   -5.9952214138   1.1834643793  -1.1717129391
H    2.7483904407   0.5685978031  -2.4087160850
H    2.0977431012  -2.1717105778   1.3782733441
H    2.7072593914  -0.9636594037   2.4969130419
H    4.6578959975   1.7958125909  -0.6462205109
H    2.9358527685   2.1999922793  -0.7504544694
H    5.4193249794  -0.5731998713  -1.4314952144
H    4.4911104177  -1.2088538738  -2.7971944917
H    5.1505324321   0.4209908892  -2.8653350822
H    1.7321601124   2.0286500175   1.6464395686
H   -2.1447684358  -0.5416774506   0.0349990353
H   -0.5154231969   2.9383033199   1.9421650402
H    3.9215684355  -3.3784356384  -0.1532800486
H    7.1844441119  -1.9647128207   1.9764484020
H   -5.0691177832   1.2788372123   2.0736583421
H   -2.6969130833   1.8303106744  -1.4602203824
H   -7.0707651460   0.9491150338   0.6751150466
H   -4.6811898278   1.4717136130  -2.8486859616
*