! 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   0.5848476820   0.8814231963  -2.3935156227
Cl   2.9796281978   4.3671393291   0.8443746947
O   -1.2897771317  -0.6042041618  -0.6579495943
O   -0.7075154318  -1.1162793988   1.4416134928
N    0.0144896874  -3.1064474336  -0.4172961041
N   -0.6187974784  -3.4651310775  -1.5352287178
N   -0.9566118451  -4.9819449320   0.0772953815
C   -0.1994561276  -0.7380087213   0.1919488951
C   -2.4459300984  -0.3281338926   0.1202513499
C   -2.1261166350  -1.0578584293   1.4213009421
C    0.7193892964  -1.8578438985  -0.3148796218
C    0.6011393683   0.5573831518   0.3250990563
C   -2.7081242457   1.1633023723   0.2789619854
C   -4.0771752797   1.4344893651   0.8838414113
C    0.9816974030   1.3317940313  -0.7695096812
C    1.0024467602   0.9952986931   1.5837020352
C    1.7102001314   2.5025763272  -0.6188046033
C    1.7322373363   2.1577120687   1.7625085161
C   -0.2018994199  -4.0151805303   0.5379445419
C    2.0769250021   2.9071800341   0.6520910306
C   -1.1823873912  -4.5938465305  -1.1936901496
H   -3.2915024002  -0.7903731262  -0.3953387656
H   -2.4785410434  -0.5315834758   2.3106064419
H   -2.5417003060  -2.0690421068   1.4368518586
H    1.5523759190  -1.9780471899   0.3775213080
H    1.1362814178  -1.6195000195  -1.2908986003
H   -1.9329687575   1.6254485640   0.8969912210
H   -2.6456669314   1.6331058808  -0.7054707984
H   -4.2533436494   2.5058213007   0.9791495208
H   -4.8762455450   1.0251902063   0.2629197199
H   -4.1818968097   1.0026427496   1.8808961043
H    0.7355253315   0.4190738210   2.4578463570
H    1.9845020567   3.0878781040  -1.4854230066
H    2.0221997906   2.4686701426   2.7562886350
H    0.2131508455  -3.9379624771   1.5302614501
H   -1.7761843254  -5.1657460692  -1.8897045000
*