! 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   0.1154686685  -0.6156207969   2.2359711772
Cl   4.4418082334   1.3343095246  -0.2107484932
N   -1.2943410593  -1.8589139928  -0.6970066995
N   -1.8939059330  -2.6380741149   0.2039930749
N    0.0761078060  -3.5123429125  -0.3937259773
C   -1.5445431338   0.5450205862  -0.1409519328
C   -2.3163625769   1.8116640250  -0.5331874633
C   -1.8770053738  -0.6026908005  -1.1048752499
C   -0.0505700680   0.7575915252  -0.1113038011
C   -3.7963647982   1.7575554430  -0.1690869206
C    0.7756609286   0.2631445351   0.8961446977
C    0.5790539777   1.4293480105  -1.1590184703
C   -4.5320498588   3.0280159441  -0.5667763282
C    2.1529262059   0.4366171356   0.8801063823
C    1.9489381205   1.6163237363  -1.2085641104
C   -0.1176682400  -2.3873041456  -1.0390681417
C    2.7273819889   1.1152529776  -0.1783758184
C   -1.0390774777  -3.6165692652   0.3542393207
H   -1.8822168029   0.2491480529   0.8546384055
H   -1.8631353892   2.6688518697  -0.0279064401
H   -2.2148192027   2.0025321659  -1.6068626366
H   -1.5157318833  -0.3720726284  -2.1076476542
H   -2.9534451340  -0.7507700422  -1.1734731436
H   -4.2795102951   0.9015957116  -0.6473755346
H   -3.8949259651   1.5991792580   0.9087457678
H   -0.0177811766   1.8224979655  -1.9724073623
H   -4.0960728886   3.9081086448  -0.0896239457
H   -5.5829963516   2.9852592180  -0.2773713511
H   -4.4963146211   3.1878822204  -1.6463471490
H    2.7629724912   0.0430156049   1.6812532610
H    2.3981597213   2.1444167939  -2.0383891034
H    0.5459378606  -1.9314394287  -1.7574035601
H   -1.2280491007  -4.4415408069   1.0237576231
*