! 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  -0.8952139734  -0.3300716153  -2.4024062873
Cl  -5.3014905097  -0.9230800848   0.5839794831
O    0.8910436641  -1.9929493102  -0.3341314870
N    1.4441215371  -0.7765455572  -0.0790209978
N    4.5691153954   2.1261717640  -0.6392618880
C    1.0578688681   1.4994659447   0.5376604413
C    0.5869749307   0.1069238705   0.2255848190
C   -0.8720109106  -0.1451518984   0.2941254791
C    2.5486083457   1.6430249709   0.5597409318
C   -1.6384011995  -0.3702079098  -0.8452964248
C   -1.5156282774  -0.1516762605   1.5266612528
C    3.2887766023   1.3900354222   1.7069104581
C    3.2494122921   2.0073090937  -0.5836311404
C   -3.0011817717  -0.6063910510  -0.7699141472
C   -2.8754098917  -0.3911637762   1.6326399863
C   -3.6039882777  -0.6198048639   0.4773913133
C    4.6678536190   1.5125409827   1.6638853330
C    5.2613514373   1.8798187566   0.4662005773
C    1.8842699202  -2.8878874349  -0.7923687830
H    0.6167451184   2.1780669236  -0.1997001945
H    0.6327204453   1.8051897378   1.4986017252
H   -0.9421247888   0.0226619839   2.4281552157
H    2.7925289805   1.1026587578   2.6263520798
H    2.7093709218   2.2170622366  -1.5023128292
H   -3.5793832170  -0.7789266035  -1.6669807878
H   -3.3535696009  -0.4013106861   2.6020707376
H    5.2741210247   1.3254927353   2.5398092378
H    6.3387200555   1.9815699728   0.3973401805
H    1.3808871914  -3.8378401108  -0.9642568643
H    2.6739860011  -3.0355937813  -0.0515006921
H    2.3331379175  -2.5529048475  -1.7305644691
*