! 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  -0.8397172823   1.6605849195  -0.5050532914
Cl  -5.8051630572  -0.4151450950   0.1564187357
O    0.0054127992  -1.0230676000   0.1810285210
O    2.7824013739  -0.7147068471  -1.9903026417
N    2.4183182130  -0.1058428398   0.1771455030
C    0.6594893258  -1.2260870689  -1.0733298553
C   -1.3434331301  -0.8814143926   0.1465526477
C    2.0684759686  -0.6467054899  -1.0051862666
C    0.7044114840  -2.7011660684  -1.4277772605
C   -3.3003839392   0.5419236579  -0.1904273686
C   -1.9186972008   0.3504771783  -0.1684682616
C   -2.1584251444  -1.9526169109   0.4663785867
C    3.6390574711   0.4514588788   0.5728871335
C   -4.0795227214  -0.5701964565   0.1390689241
C   -3.5329728623  -1.7969212888   0.4691504871
C   -3.9430669613   1.8486158909  -0.5320829061
C    3.7155784071   0.8992273767   1.8940562318
C    4.7568259013   0.5758314205  -0.2526178603
C    4.8831610031   1.4561264538   2.3842082865
C    5.9217873760   1.1367086863   0.2547473119
C    5.9987281540   1.5786353541   1.5663270278
H    0.1357519226  -0.6806524892  -1.8660933106
H   -0.3056564230  -3.1028293151  -1.5136863526
H    1.2446508734  -3.2761821644  -0.6750033015
H    1.1918553834  -2.8450691539  -2.3906209078
H    1.7018073481  -0.1193616848   0.8889102727
H   -1.7164279614  -2.9044797784   0.7293168511
H   -4.1713850364  -2.6312284186   0.7242163870
H   -3.2204482923   2.5991425842  -0.8376051739
H   -4.4929446277   2.2475955576   0.3215451876
H   -4.6564508287   1.7281865319  -1.3476697260
H    2.8535416216   0.8058424340   2.5447160232
H    4.7339896624   0.2435531366  -1.2773253412
H    4.9186525019   1.7939048592   3.4118156469
H    6.7819107337   1.2257730276  -0.3964538135
H    6.9136467118   2.0127798269   1.9470345005
*