! 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  -0.1228247491   0.5551533470  -2.3258758934
Cl  -1.6692828114   5.0419635005   0.0642067088
O   -0.0586392598  -1.1002995607   1.9817969796
N   -0.8623955478  -3.0762359984   0.0761157330
N   -0.3159842459  -3.7151202090  -0.9618585353
N   -0.5542851786  -5.1068654777   0.7747386950
C   -0.0529739556  -0.7888265019   0.6067468722
C    1.3336816397  -1.1143513295   0.0237378274
C   -1.1676000661  -1.6685661082   0.0132729041
C    2.4181329030  -0.0983567157   0.3711333124
C   -0.4621189359   0.6784646613   0.4048675916
C    3.8007742446  -0.5690642947  -0.0630829010
C   -0.5137166115   1.3399718902  -0.8247809451
C   -0.8292550049   1.4326094215   1.5185255080
C    4.8901072074   0.4470033688   0.2434630573
C   -0.8814347222   2.6729230260  -0.9388388319
C   -1.2023711268   2.7635893463   1.4376832941
C   -0.9939024743  -3.9161859895   1.1057454079
C   -1.2196364957   3.3787833048   0.2006453269
C   -0.1496371402  -4.9272937251  -0.4980117990
H    1.2846341857  -1.2336175469  -1.0570473825
H    1.6234199311  -2.0941049173   0.4146851126
H   -1.3584784395  -1.4274689622  -1.0285939577
H   -2.0911913382  -1.4894027602   0.5649181699
H    2.2011883946   0.8622041936  -0.1047741980
H    2.4390129885   0.1015434056   1.4493380906
H    3.7887670567  -0.7804528134  -1.1366109759
H    4.0341683503  -1.5169619065   0.4308182554
H    0.7936547080  -0.8733638619   2.3703931444
H   -0.8264139247   0.9673833840   2.4930477376
H    4.7034730597   1.3964393706  -0.2625141750
H    4.9540922529   0.6526821769   1.3140382067
H    5.8695232696   0.0912479066  -0.0799668495
H   -0.9004450190   3.1495329227  -1.9092157069
H   -1.4734233261   3.3044498680   2.3339033783
H   -1.4160957184  -3.6260366214   2.0547972107
H    0.2734712981  -5.7139464991  -1.1039507309
*