! 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   2.5379027764   0.5472241570  -2.7361132854
Cl  -7.0309879571   1.3850626643   1.6053550900
O    3.8803360989   1.0273235065  -0.1293322380
O    3.1015669419   0.0682471720   1.7145307960
O   -2.2838988910   0.1209297517  -1.5806438364
N    2.9243429142  -2.4646895160   0.2651952728
N    2.0665701291  -3.0070122374  -0.6012831912
N    1.8886289171  -3.9950688621   1.3993236356
C    3.0784116195  -0.0150482878   0.3168385143
C    3.6435892358   2.1264684278   0.7429691149
C    3.7378630004  -1.3336409117  -0.0972618513
C    3.2621927046   1.4362436349   2.0620656336
C    1.6428678381   0.0825615110  -0.1943799639
C    4.8752637351   2.9926389796   0.8217988842
C    1.3163640559   0.3085810227  -1.5297921991
C    0.5827477400  -0.1391890382   0.6785686619
C    0.0042744001   0.3462763938  -1.9690181361
C   -0.7389693612  -0.1268155519   0.2675203587
C   -1.0249877815   0.1248523007  -1.0658824611
C    2.8035050008  -3.0578482193   1.4555567626
C    1.4692222721  -3.9185159811   0.1205000568
C   -3.3575837992   0.4239155405  -0.7887434327
C   -4.4539955086  -0.4213810753  -0.8438760701
C   -3.3876377941   1.5697552781  -0.0046651387
C   -5.5929256351  -0.1220972684  -0.1122220636
C   -4.5198199829   1.8624929705   0.7376020234
C   -5.6149427794   1.0143529871   0.6793547618
H    2.8002515708   2.7178436762   0.3677729871
H    4.7107343201  -1.4175446550   0.3874425372
H    3.8926904120  -1.3661252778  -1.1732677502
H    4.0492265434   1.5103943285   2.8159485463
H    2.3424190904   1.8488639802   2.4840038454
H    5.7344531368   2.4296777124   1.1896503216
H    5.1261000521   3.4158940662  -0.1510611204
H    4.6986034402   3.8240082155   1.5047745016
H    0.7873676866  -0.3427009894   1.7202537146
H   -0.2235121309   0.5355617712  -3.0097883240
H   -1.5206855324  -0.3229975193   0.9890329063
H    3.3966921001  -2.7847294750   2.3135382003
H    0.7059121078  -4.5602801094  -0.2915041323
H   -4.4253231710  -1.3098141547  -1.4612376898
H   -2.5403259235   2.2422082525   0.0332722145
H   -6.4494858158  -0.7802825205  -0.1592980204
H   -4.5428983950   2.7537096823   1.3496152774
*