! 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   1.2928881451  -0.8244811809   2.3785166480
Cl   4.1019649626  -3.4529720739  -1.3042726854
O   -1.2725606605   0.4459410295  -1.1057248702
O   -1.2139887336  -0.0710678399   1.0443167587
N   -0.8478816927   2.7389303581   0.5030424714
N   -1.4070546746   2.9276974630   1.6989901913
N   -2.3119771485   4.3058477157   0.1840246147
C   -0.4168476969   0.3598177791  -0.0083100183
C   -2.2326966349  -0.6042783495  -0.9872196215
C   -2.1213152001  -1.0066906287   0.4951701056
C    0.1633735208   1.7431083799   0.2847780004
C    0.7326144469  -0.6127571404  -0.2939294989
C   -3.6039997355  -0.1300605887  -1.4312839098
C   -4.1478561051   1.0794962096  -0.6880377580
C    1.5241475577  -1.1845696713   0.7010501254
C    1.0437637541  -0.9293981488  -1.6135139714
C    2.5583691971  -2.0589538630   0.3990141468
C    2.0718447277  -1.7951691856  -1.9438701322
C   -1.3990184315   3.5628192672  -0.3916775621
C    2.8184771833  -2.3608271145  -0.9256601870
C   -2.2767255594   3.8749639141   1.4611567017
H   -1.9325338114  -1.4443820860  -1.6232887903
H   -3.0643646127  -0.9338783132   1.0382796114
H   -1.7486295933  -2.0304672968   0.6012997219
H    0.7789721543   2.0553237184  -0.5582312685
H    0.8070098954   1.7054633241   1.1615292029
H   -4.2822790376  -0.9795890984  -1.3124535131
H   -3.5755033076   0.0781502590  -2.5041707589
H   -4.1605886263   0.9360730433   0.3936042255
H   -3.5702703615   1.9776191244  -0.8965283374
H   -5.1750371942   1.2785527122  -0.9955532032
H    0.4668545154  -0.4875102435  -2.4141778638
H    3.1512072408  -2.4945711806   1.1912668646
H    2.2811885320  -2.0212150395  -2.9801617617
H   -1.1028664226   3.5885526617  -1.4285475346
H   -2.9080317616   4.2766130279   2.2387801054
*