! 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  -0.1410264401   2.7763593285   1.2335469682
Cl  -5.0961405803  -0.4666379698  -0.7024007373
O    0.9715792498  -0.0261802025   2.0534481544
N    1.5866397808  -3.2851687142  -1.2655443517
N    2.7300478054  -3.3711389818   0.7931840316
C    0.7767527436  -0.1370987835   0.6649955076
C   -0.7115762806  -0.1650251567   0.3135783862
C    1.5077942753   1.0071808828  -0.0538019575
C    1.3608666208  -1.4913447130   0.2868190143
C   -1.6083530508  -0.7453705067   1.2051455626
C   -1.1925416390   0.3132222871  -0.8994859195
C    1.1590569666   2.3441207010   0.1600832931
C    2.5729349312   0.7758358578  -0.9200893807
C    1.0734711368  -2.1141513241  -0.9218810062
C    2.2219414054  -2.1885805713   1.1227277783
C   -2.9567124893  -0.8377694969   0.9015882220
C   -2.5382533538   0.2208130818  -1.2213279306
C    1.8167216921   3.3900405198  -0.4650525755
C    3.2450066295   1.8108263913  -1.5545563336
C   -3.4123261433  -0.3523845081  -0.3137156493
C    2.8656142254   3.1219124923  -1.3303812217
C    2.3908583182  -3.8606675732  -0.3852657172
H   -1.2659041522  -1.1371594714   2.1538079499
H   -0.5250135488   0.7719005143  -1.6180921053
H    2.9009705929  -0.2349531528  -1.1150742532
H    0.4895869889   0.7394043921   2.3887981589
H    0.4102072323  -1.6549923512  -1.6465772781
H    2.5198628927  -1.7943184367   2.0853614995
H   -3.6406967102  -1.2881679875   1.6080475433
H   -2.8945583404   0.5995064321  -2.1695644323
H    1.5130431944   4.4105962678  -0.2750250584
H    4.0656256562   1.5832901738  -2.2214686618
H    3.3790872846   3.9389670949  -1.8190751137
H    2.8054666624  -4.8242951726  -0.6567598216
*