! 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   0.4977873387  -1.3009716724   2.3482922444
Cl   1.5673120560  -5.3814350289  -0.9071325878
O   -0.8094158130   0.6769484210   0.6250460416
O   -0.0884474181   1.0395413103  -1.4692888328
N    1.2757170832   2.6300482603   0.4100669727
N    0.8368965862   3.1269719442   1.5685690121
N    0.9338071773   4.7351615146   0.0133951968
C    0.2700456225   0.4841313129  -0.2369803457
C   -1.8081691168   1.4725233569  -0.0093714376
C   -1.4906268416   1.2401643089  -1.4780303554
C   -3.1792313824   1.0257491755   0.4662912974
C    1.5297569945   1.2254835158   0.2385164955
C    0.5764219997  -1.0041062146  -0.3701255071
C   -4.2902259319   2.0390835682   0.2062736574
C    0.6936827796  -1.8617187851   0.7229523954
C    0.7963643561  -1.5466635754  -1.6323658337
C   -4.5433357510   2.3711320306  -1.2575186420
C    0.9938076699  -3.2068292252   0.5665016528
C    1.0997336340  -2.8850181164  -1.8168582357
C    1.3207816249   3.5978677509  -0.5103591163
C    1.1913774894  -3.7070890403  -0.7083112978
C    0.6482521011   4.3901131068   1.2854847374
H   -1.6585410589   2.5286420289   0.2548796865
H   -2.0139356704   0.3596455012  -1.8702377175
H   -1.7066041796   2.0921300462  -2.1201254454
H   -3.1210343549   0.8562835857   1.5443548142
H   -3.4298932884   0.0615723737   0.0121984336
H    2.3210767798   1.0982712832  -0.5003005562
H    1.8921436286   0.8265123451   1.1833504346
H   -4.0710712552   2.9603321598   0.7541848760
H   -5.2099263348   1.6432226256   0.6433443594
H    0.7301741007  -0.9102081589  -2.5033807487
H   -3.7148305866   2.9189546876  -1.7089269343
H   -4.7138588710   1.4717081327  -1.8529389142
H   -5.4269401600   3.0025387358  -1.3623869953
H    1.0733328038  -3.8511992981   1.4310759800
H    1.2622096967  -3.2732337222  -2.8126794103
H    1.6477651900   3.4313572995  -1.5244285576
H    0.2977583800   5.0927760457   2.0256477456
*