! 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  -0.0040325212   0.6685277331  -2.2352011130
Cl  -1.7090518879   5.0579797340   0.2159114405
O   -0.1143003342  -1.0378154767   2.0384773212
N   -0.7089463378  -3.0399764086  -0.0620092857
N   -0.5195181320  -3.6895332938   1.0905957135
N   -0.1700505892  -5.0612293917  -0.6369986700
C   -0.0375507858  -0.7603729313   0.6584709037
C    1.4007113375  -1.0196697927   0.1727961232
C   -1.0683560786  -1.6399155273  -0.0830760793
C    2.4248385199  -0.0409120529   0.7350599069
C   -0.4592155107   0.7005807844   0.4872212355
C    3.8635637913  -0.4193849533   0.3942694151
C   -0.4688995650   1.3960987228  -0.7250305661
C   -0.8639568337   1.4252070651   1.6087240800
C    4.1751401467  -0.3858548054  -1.0950094583
C   -0.8503097491   2.7272951353  -0.8168370936
C   -1.2476973719   2.7536744082   1.5481608382
C   -0.4922296428  -3.8688345385  -1.0825262959
C   -1.2356123860   3.3998666987   0.3269416266
C   -0.1964307239  -4.8970308202   0.6968490596
H    1.4414470772  -1.0247633360  -0.9152840531
H    1.6783911814  -2.0324575165   0.4845824627
H   -1.1661250326  -1.3588809703  -1.1280993217
H   -2.0470634079  -1.5183791971   0.3845014902
H    2.2273582036   0.9681762467   0.3599294059
H    2.3183781952   0.0092036768   1.8216055737
H    4.0848446946  -1.4141147292   0.7938577001
H    4.5353622551   0.2694626614   0.9134500976
H   -0.0397511102  -1.9977290909   2.1559664503
H   -0.8789364777   0.9417062095   2.5729909945
H    5.2325195506  -0.5812564074  -1.2802705722
H    3.6096715380  -1.1331101163  -1.6536959566
H    3.9417153963   0.5905964979  -1.5251043957
H   -0.8421435007   3.2282153975  -1.7746715656
H   -1.5495101899   3.2689639065   2.4492591325
H   -0.5863189052  -3.5682044036  -2.1142454888
H    0.0278261934  -5.6845320268   1.3992598753
*