! 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   0.6942578824   0.2132467455   2.4167299709
Cl  -7.0351587788   1.8844541397   0.8452440226
O    3.9898289128   0.2760380182  -0.6724816304
O    3.3177073459   1.1176956912   1.2746430565
O   -2.1800618056  -0.1183268236  -1.7428079511
N    2.9668475206  -2.3967679512   0.4267506449
N    3.4718923621  -2.8011378414  -0.7392818297
N    1.7187685255  -4.0695640392  -0.1614715975
C    3.0981289958   0.0684174271   0.3839820505
C    4.3316074750   1.6637548296  -0.7330416066
C    3.4663982072  -1.2342548916   1.1088357746
C    3.5926039971   2.2511016453   0.4739451655
C    1.6608229171   0.0468672342  -0.1363882572
C    5.8347713564   1.8156613033  -0.6721768422
C    0.5427611840   0.1103964942   0.6906950851
C    1.4187508703  -0.0896319765  -1.5014932015
C   -0.7522310623   0.0659360450   0.1963149719
C    0.1409785802  -0.1245448333  -2.0263761171
C   -0.9491054446  -0.0402712127  -1.1729273162
C    1.9173097363  -3.1542311916   0.7545956463
C    2.6961737994  -3.8077155170  -1.0511749282
C   -3.2832434403   0.3667136291  -1.0927633209
C   -3.3403257847   1.6781290921  -0.6399052510
C   -4.3748088209  -0.4757607639  -0.9576562540
C   -4.4970983032   2.1439445592  -0.0368802501
C   -5.5381501944  -0.0066762146  -0.3668032228
C   -5.5880295830   1.2980548836   0.0958959536
H    3.9518617105   2.0905249350  -1.6659137061
H    3.0457149626  -1.2338176239   2.1121678918
H    4.5501929620  -1.3036375470   1.2012844543
H    4.1972295238   2.9485261805   1.0539451024
H    2.6692928943   2.7594447410   0.1768484514
H    6.2350917478   1.4552552989   0.2773790109
H    6.3198081197   1.2665652137  -1.4802476857
H    6.1089473940   2.8659910836  -0.7787751583
H    2.2548825713  -0.1662828080  -2.1814870802
H   -1.5868895450   0.1047542877   0.8832974737
H   -0.0094719024  -0.2216254075  -3.0936229588
H    1.3457191814  -3.0070568077   1.6581532114
H    2.8420959025  -4.3793213105  -1.9546611591
H   -2.4951645079   2.3447710483  -0.7557224578
H   -4.3232974414  -1.4948256624  -1.3184452978
H   -4.5428918065   3.1643875528   0.3181271400
H   -6.3917720413  -0.6628069998  -0.2658042356
*