! 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   0.9205313050  -1.4343213083  -2.2164541330
Cl   4.9590769898   1.1589768397   0.0980249247
O   -1.1240117817  -1.7030732044  -0.0973760867
O   -1.4706063843  -0.0186688626   1.3352546964
N   -1.3439653799   1.8589845386  -0.9191951891
N   -0.3931427191   2.3916301326  -1.6904323217
N   -1.2085724945   3.9265952924  -0.2794933557
C   -0.9024157137  -0.3359768055   0.1019687306
C   -1.6006584373  -2.2996102329   1.1103694128
C   -1.3850049745  -1.1891219608   2.1317894965
C   -3.0486810878  -2.7303792501   0.9458385061
C   -1.6521164834   0.4532969972  -0.9795515036
C    0.5904199469  -0.0094083520   0.0936100895
C   -3.5475176690  -3.5942343228   2.0974958981
C    1.4613638278  -0.4454526940  -0.9021598724
C    1.1185706466   0.8156822950   1.0812012314
C   -5.0001479457  -4.0074762718   1.9175540226
C    2.8028270957  -0.0955235612  -0.9074184936
C    2.4536948320   1.1827361729   1.1015494992
C   -1.8161534466   2.7823856370  -0.0769898435
C    3.2877624528   0.7181359510   0.1011723038
C   -0.3485619810   3.6306137396  -1.2746542757
H   -0.9751306092  -3.1686204871   1.3351309976
H   -2.1530518125  -1.1380873699   2.9032508325
H   -0.4083889450  -1.2683211557   2.6215496384
H   -3.1393647718  -3.2923323818   0.0114883976
H   -3.6865763681  -1.8453665560   0.8421237232
H   -2.7251531338   0.3122318319  -0.8460230768
H   -1.3877859061   0.0971328998  -1.9723007608
H   -3.4402993519  -3.0595485981   3.0461829838
H   -2.9201300389  -4.4868206431   2.1804127725
H    0.4748733592   1.1929300908   1.8635479250
H   -5.6551200151  -3.1366368571   1.8481651566
H   -5.1368035880  -4.5935901207   1.0064664241
H   -5.3492108874  -4.6147780301   2.7537095119
H    3.4557563715  -0.4506697617  -1.6926045010
H    2.8278506722   1.8237722510   1.8875298721
H   -2.5923894542   2.5806669480   0.6444335976
H    0.3270175821   4.3515003250  -1.7091030892
*