! 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  -0.4264390739  -1.3855375566  -2.6751857696
Cl  -4.3504145855   1.1417886256  -0.0370536466
O    0.5040362688  -2.9762599134   0.9617137106
N    1.5334407532  -2.2719418360   0.4184616114
N    3.2787084501   2.1725024905   1.9381254338
C    2.2338249125  -0.2936507664  -0.6992879468
C    1.1709628249  -1.1725933526  -0.1009488410
C   -0.2196593502  -0.6592227234  -0.0827756329
C    2.3430415794   0.9963449883   0.0675401967
C   -1.0199829786  -0.6667960322  -1.2178927923
C   -0.7384363714  -0.0944522256   1.0782170168
C    1.6028409415   2.1219594379  -0.2711908683
C    3.1617711910   1.0851743398   1.1885087361
C   -2.2929469387  -0.1184068529  -1.2211426396
C   -2.0058285195   0.4594416901   1.1068028841
C   -2.7696813930   0.4440006941  -0.0494515622
C    1.7126311649   3.2634775835   0.5062482661
C    2.5626902531   3.2384344019   1.6002808140
C    0.9937079376  -4.1546543331   1.5732873095
H    3.1832171214  -0.8308021857  -0.6870622358
H    1.9950900943  -0.0835758757  -1.7446700783
H   -0.1348308527  -0.0728485917   1.9759234124
H    0.9505418304   2.1114704663  -1.1363819476
H    3.7557724713   0.2269336833   1.4889908657
H   -2.8971649698  -0.1335429078  -2.1175606431
H   -2.3867242686   0.8997598435   2.0175140629
H    1.1522870327   4.1576472559   0.2695282025
H    2.6718463255   4.1158281953   2.2278651163
H    0.1260995764  -4.6596903410   1.9946295392
H    1.6979081370  -3.9329218685   2.3787700223
H    1.4735602790  -4.8197794564   0.8509276698
*