! 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   5.1004595893   2.7922408026  -1.1412102279
O   -2.4801437518  -0.5944261599   1.7613719606
N   -1.2987999062  -2.5634336988   0.0188730187
N   -0.2688531155  -2.6753571504  -0.8231036703
N    0.0704264932  -3.9378717001   0.9930790347
C   -2.3820378846  -0.3323829090   0.3752008037
C   -3.6179360141   0.5097698896  -0.1056616364
C   -1.0561716577   0.3871932265   0.0236711764
C   -2.4375115250  -1.7225945082  -0.2739895043
C   -3.4667120064   0.9388578988  -1.5685774461
C   -4.9214714336  -0.2858912965   0.0336472055
C   -3.7604627351   1.7702948687   0.7568065689
C    0.1153424425   0.1610372184   0.9866965094
C    1.3623625430   0.8189822994   0.4638975374
C   -1.0837952461  -3.3203263941   1.0964141745
C    2.1732606302   0.1704498804  -0.4648426296
C    1.7263677428   2.0993728033   0.8702827300
C    0.5275451536  -3.5079213558  -0.1984498719
C    3.3202410592   0.7673175112  -0.9641586773
C    2.8688577838   2.7165580742   0.3804228256
C    3.6603214617   2.0401274251  -0.5328919548
H   -1.2183396878   1.4664609592  -0.0235921300
H   -0.7511820412   0.1009296551  -0.9859657756
H   -3.3220632508  -2.2580342317   0.0676875275
H   -2.4988752842  -1.6433121044  -1.3568159403
H   -3.3264688128   0.0935181646  -2.2447581085
H   -2.6344179194   1.6264384564  -1.7230508279
H   -4.3705729577   1.4562567213  -1.8966514458
H   -5.7761008475   0.3722057988  -0.1359392481
H   -5.0369063903  -0.7142191453   1.0305651774
H   -5.0056937156  -1.0952652355  -0.6936624078
H   -2.8596346974   2.3866868648   0.7760683239
H   -4.5596261363   2.3987194988   0.3594440977
H   -4.0341003553   1.5419708420   1.7889841755
H    0.3112044229  -0.8984296416   1.1488889564
H   -0.1190400387   0.5826875980   1.9661431202
H   -2.3799931123   0.2265267555   2.2540998916
H   -1.7844638817  -3.3968347725   1.9124267163
H    1.9075086257  -0.8226142978  -0.8068669808
H    1.1135119837   2.6300915060   1.5894606905
H    1.4692069104  -3.8209413002  -0.6227067770
H    3.9413007321   0.2416880858  -1.6771524942
H    3.1370957288   3.7096892484   0.7150639312
*