! 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  -0.0628289663  -0.3022189818   2.2152478569
Cl   4.4772608489   1.2278698389  -0.1419955653
N   -1.3099675735  -1.8050043165  -0.7203100767
N   -1.9727231672  -2.4942331939   0.2094755745
N    0.0119763903  -3.4446388052  -0.1994019317
C   -1.5288728227   0.6370145119  -0.3766775410
C   -2.2273077356   1.8925265677  -0.9146843793
C   -1.8421808699  -0.5762037264  -1.2613706081
C   -0.0327422336   0.8105665378  -0.2720967108
C   -3.7479973278   1.8934491686  -0.7658919667
C    0.7109810039   0.4044744182   0.8341798262
C    0.6856987963   1.3437580404  -1.3421688593
C   -4.2334270271   1.8332490162   0.6753640141
C    2.0924311333   0.5305631216   0.8891928543
C    2.0621513052   1.4807785953  -1.3225247774
C   -0.1258652033  -2.3766162144  -0.9487441731
C    2.7561386030   1.0704490757  -0.1964677326
C   -1.1454231232  -3.4686519643   0.4892428326
H   -1.9253414017   0.4276916603   0.6179606979
H   -1.8256957131   2.7622736583  -0.3873519781
H   -1.9780483446   2.0342361587  -1.9702298554
H   -1.4266229516  -0.4390053641  -2.2605301373
H   -2.9171989666  -0.7096746604  -1.3711509542
H   -4.1213421662   2.8107875582  -1.2279698985
H   -4.1944516069   1.0764350991  -1.3393332230
H    0.1569016804   1.6632254954  -2.2311016146
H   -5.3144662493   1.9693862386   0.7278665266
H   -3.7745492853   2.6173779714   1.2814469086
H   -4.0131009637   0.8772170707   1.1533145620
H    2.6367281926   0.2062179164   1.7651680633
H    2.5803168857   1.9000792551  -2.1738024875
H    0.5835370993  -1.9940719022  -1.6662789233
H   -1.3860897733  -4.2286482255   1.2165270283
*