! 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   0.1455844717   0.1541223530  -2.4910118323
Cl  -2.6982194880   3.6270522842   0.3475951220
O    1.3296987766  -1.4810681135   1.6712168304
N   -0.8066745038  -2.5625347993  -0.1033845453
N   -1.1641292955  -2.7774839499   1.1658789378
N   -2.9709618158  -2.6946101598  -0.1432112326
C    1.1288668182  -1.0955528050   0.3319366529
C    2.5134306983  -0.7377006067  -0.2214650627
C    0.5748227815  -2.3119676641  -0.4401137732
C    3.1979850601   0.4239129530   0.4885648760
C    0.1637237879   0.0997170727   0.2665364929
C    4.5933993587   0.6863369065  -0.0660648637
C   -0.3140026080   0.6965832524  -0.9023645981
C   -0.2799726016   0.6677094648   1.4608070216
C    5.2856523415   1.8553052353   0.6169185521
C   -1.1902456729   1.7728757736  -0.8883104099
C   -1.1500358626   1.7427085314   1.5097140175
C   -1.8939263480  -2.5071677812  -0.8713443787
C   -1.6056949416   2.2882175923   0.3245953411
C   -2.4703620841  -2.8506050746   1.0944570019
H    2.4361559266  -0.5134814616  -1.2863702432
H    3.1382378222  -1.6338957313  -0.1449625194
H    1.1711109572  -3.1880552821  -0.1794869172
H    0.6364130737  -2.1900151908  -1.5168726315
H    2.5954837675   1.3316657147   0.3821982117
H    3.2682507811   0.2238919771   1.5609155758
H    4.5283544966   0.8793633985  -1.1415659282
H    5.2048023904  -0.2147897279   0.0437775247
H    0.5370916528  -1.9468572783   1.9824569442
H    0.0735124197   0.2657948026   2.3984928052
H    5.4003580747   1.6798616295   1.6885116718
H    6.2815221403   2.0262197577   0.2051197448
H    4.7183096233   2.7802689030   0.4953018980
H   -1.5398171503   2.2003711312  -1.8176775767
H   -1.4612113773   2.1427537788   2.4646188315
H   -1.8544437914  -2.3388947377  -1.9361872831
H   -3.0804362903  -3.0245114607   1.9670131141
*