! 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   0.7636930798  -1.3751499476   2.5502589790
Cl   4.4157015715  -1.4727410182  -1.3300487061
O   -2.0143785197   0.0909919846  -0.6905368114
O   -1.8254425723  -1.2054978686   1.1370576747
N   -0.5425629107   2.1982692407   0.6456432853
N    0.7448473694   2.4528446131   0.8924284445
N   -0.0327742967   3.8218084995  -0.6988428251
C   -1.2196574496  -0.1599085633   0.4254084399
C   -2.7897432891  -1.0725181673  -0.9611122651
C   -2.9766859104  -1.6455191975   0.4338177373
C   -1.2249425057   1.1081445234   1.2932712061
C    0.1979135925  -0.5418617186   0.0069854967
C   -4.0580933707  -0.7014143961  -1.7060572818
C   -4.8757435642   0.4201427926  -1.0819936087
C    1.1401140925  -1.0690372290   0.8872986231
C    0.6135261232  -0.3014091286  -1.2982675935
C    2.4346118012  -1.3612673279   0.4861392590
C    1.8998856568  -0.5821653527  -1.7273004503
C   -0.9916018225   3.0170190308  -0.3103963649
C    2.8021367015  -1.1137168788  -0.8247841573
C    1.0063662848   3.4331781304   0.0674704285
H   -2.2068245362  -1.7726616336  -1.5737694148
H   -3.8838077233  -1.2748391763   0.9217583078
H   -3.0077101575  -2.7357517137   0.4339488994
H   -0.7359151132   0.9286680388   2.2475018517
H   -2.2577796710   1.3966484075   1.4933145265
H   -4.6620930610  -1.6096580573  -1.7811076240
H   -3.7955457477  -0.4333783428  -2.7319116968
H   -5.7720178015   0.6031452829  -1.6745974850
H   -5.2058004733   0.1864442562  -0.0690286909
H   -4.3182740273   1.3553683202  -1.0412771006
H   -0.0817868854   0.1210213086  -2.0095564684
H    3.1445058953  -1.7715625335   1.1908425844
H    2.1864267581  -0.3838226234  -2.7506578321
H   -2.0060162855   2.9982802100  -0.6761136348
H    1.9825144181   3.8907491780   0.0196841790
*