! 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  -5.2153514302  -0.5318536914   0.5417703524
O    3.2911062367   1.6569783431   0.3852891420
O    0.2273329174  -0.8180097495   1.6385273210
N    1.9722741628  -0.1625380536   0.3343799528
N    0.7244160192  -2.0786888592  -0.1771627667
N   -0.0033016356  -3.1971105075  -1.9285979363
C    2.1361134722   1.1574468141   1.0104460235
C    3.2128986281  -0.5273291899  -0.4072277679
C    4.1373394203   0.5598789889   0.1537691614
C    0.9738912620   2.1004257956   0.7208867388
C    2.3703312128   1.0357197048   2.5162250971
C    3.7531799659  -1.9059154325  -0.0538785485
C    3.1013387650  -0.3625225883  -1.9198886628
C    0.7099569073   2.3856804694  -0.7510194788
C    0.9604619225  -0.9685774557   0.6868320225
C   -0.6368563958   3.0802314530  -0.9748484066
C   -1.8043505947   2.2060975772  -0.6073831577
C    0.5511450441  -3.3775098099   0.2364584813
C    0.3517206488  -2.0278883911  -1.4855816831
C   -2.5885050540   2.4699302976   0.5107643417
C   -2.1050548152   1.0753366458  -1.3649638338
C    0.1283031384  -4.0514133299  -0.8658402251
C   -3.6391584831   1.6374366336   0.8714343916
C   -3.1457761414   0.2286617480  -1.0205475394
C   -3.9064764937   0.5190594604   0.1013503971
H    4.6283739814   0.2227657325   1.0753073452
H    4.9140496235   0.8498006367  -0.5533019235
H    1.1771190294   3.0396143218   1.2445370914
H    0.0809442407   1.6875492189   1.1930103418
H    3.1203963535   0.2834710219   2.7632217100
H    1.4595210445   0.7842552386   3.0517141440
H    2.7226103472   1.9972649738   2.8921866982
H    3.2160611759  -2.7140630996  -0.5478296834
H    3.7382699503  -2.0858254642   1.0220765392
H    4.7923275238  -1.9715235098  -0.3822374913
H    2.4936353757  -1.1365032881  -2.3827541584
H    2.6944629697   0.6092810439  -2.1987377681
H    4.0955529327  -0.4425924891  -2.3620234543
H    1.5026764109   3.0129380159  -1.1627566513
H    0.7230998402   1.4577650495  -1.3285324218
H   -0.7124583097   3.3689251383  -2.0262576660
H   -0.6740987446   4.0077658301  -0.3978142594
H    0.7656330071  -3.6977818461   1.2420400085
H    0.3276372785  -1.1048469446  -2.0425452434
H   -2.3804483886   3.3417919775   1.1193649495
H   -1.5220285046   0.8476970237  -2.2500418668
H   -0.0861171106  -5.1049867885  -0.9527806305
H   -4.2369642792   1.8624522948   1.7444436309
H   -3.3609218693  -0.6434871665  -1.6232493454
*