! 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   0.3926005900  -1.2295127746  -2.3731955780
Cl   4.7612657783   0.4521948458   0.1731832102
O   -1.7483992922  -1.2726745914  -0.3087015587
O   -1.7831252924   0.2812124050   1.2790451475
N   -1.2823083140   2.2969612763  -0.8423494247
N   -0.2476230780   2.6882540100  -1.5888500578
N   -0.7668061122   4.2614815602  -0.0837869816
C   -1.2677505802  -0.0107836456   0.0101197446
C   -1.7488747549  -2.0260196164   0.8976605534
C   -1.9858658619  -0.9476614200   1.9650347070
C   -2.8215646149  -3.0933387313   0.8289991004
C   -1.8536955888   0.9846658352  -0.9956539522
C    0.2599920285   0.0478127620   0.0408049475
C   -2.8825867214  -3.9690603032   2.0787858873
C    1.0652921775  -0.4505963083  -0.9810257013
C    0.9005210417   0.6836339123   1.0997056422
C   -1.6377084977  -4.8129906190   2.3134269069
C    2.4466622743  -0.3371386460  -0.9465196139
C    2.2771729323   0.8163855704   1.1595487899
C   -1.5777959264   3.2409772296   0.0552590641
C    3.0403988196   0.2999122788   0.1288332065
C    0.0267113834   3.8693714992  -1.1004284190
H   -0.7619623336  -2.4847127942   1.0338598853
H   -3.0082080762  -0.9593438655   2.3521042749
H   -1.2981495549  -1.0447091999   2.8086234007
H   -2.6413136940  -3.7250083272  -0.0459331584
H   -3.7894680319  -2.6062349254   0.6767896937
H   -2.9334650561   1.0392993212  -0.8558048991
H   -1.6620650720   0.6578226862  -2.0150803076
H   -3.7476587454  -4.6294842068   1.9849605053
H   -3.0794354370  -3.3517476718   2.9610033921
H    0.3129612836   1.0983846802   1.9064055541
H   -0.7529794132  -4.2065099699   2.5140799789
H   -1.7723000193  -5.4732445403   3.1713547002
H   -1.4157004777  -5.4412942050   1.4483608073
H    3.0475040305  -0.7377395941  -1.7510820899
H    2.7386205808   1.3177153917   1.9988412667
H   -2.3817495523   3.1466907377   0.7680858600
H    0.8255175174   4.4767665657  -1.4966968045
*