! 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   0.6934196003  -0.1238362603   2.1554381823
Cl   4.1718955585  -2.2005322605  -1.2827467596
O   -2.1152822293  -0.1134369547  -1.3664203826
O   -1.8653596145   0.0481514962   0.8275539685
N   -0.2741088089   2.5001477016   0.3919641593
N    1.0311523054   2.6338946999   0.1448839549
N    0.5261505891   3.4580624927   2.1644585565
C   -1.2438879805   0.3487402848  -0.3760029949
C   -2.8199128710  -1.2447150820  -0.8511713444
C   -2.4614434683  -1.2233271726   0.6447657794
C   -1.1592507002   1.8676280539  -0.5484573006
C    0.1251654471  -0.3226973370  -0.5256901114
C   -4.2996228812  -1.0941303958  -1.1499656206
C   -5.0824208700  -2.3505083386  -0.8004890051
C    1.0267280279  -0.5501496755   0.5122536179
C    0.5305092151  -0.6908595391  -1.8070366129
C    2.2669345322  -1.1322540136   0.2856129122
C    1.7629674508  -1.2642407999  -2.0626312230
C   -0.5602259102   2.9904621535   1.6008749020
C    2.6245443801  -1.4829197812  -1.0023596843
C    1.4694690336   3.2101242866   1.2341385011
H   -2.4390008532  -2.1566285222  -1.3243111278
H   -3.3288606863  -1.2921868404   1.3022484759
H   -1.7686333934  -2.0289901172   0.9078804690
H   -2.1570994677   2.2896873086  -0.4254381169
H   -0.8137637186   2.1048446607  -1.5536411883
H   -4.4248779446  -0.8744833064  -2.2133615226
H   -4.6958589158  -0.2355276467  -0.5993182420
H   -5.0182877173  -2.5944319724   0.2617721060
H   -6.1389185517  -2.2280010061  -1.0392136823
H   -4.7186962630  -3.2149629078  -1.3591062096
H   -0.1367797503  -0.5262954260  -2.6418304504
H    2.9443451712  -1.3023876047   1.1107949555
H    2.0389103334  -1.5344810946  -3.0723023090
H   -1.5563328153   2.9932577072   2.0143983335
H    2.5093204907   3.4694329043   1.3596041702
*