! 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  -0.6938617199  -0.4707033469   2.4640835887
Cl   1.7095439975  -4.1755277281  -0.5134844863
O   -1.8103980424   1.4775060550   0.4923135699
O   -0.6016065241   1.9725988556  -1.3346747119
N    1.7668371860   2.1711848555   0.4858910001
N    2.2726813603   2.7312407141  -0.6142923665
N    3.8195777907   1.4740056380   0.4068122849
C   -0.5249485413   1.4284785406  -0.0466599342
C   -2.7445241802   1.5739237851  -0.5810939917
C   -1.9395675877   2.3680115656  -1.5971726540
C   -3.2086048647   0.2171240636  -1.0880796903
C    0.3785108725   2.3063097949   0.8385847229
C    0.0178163568   0.0023334927  -0.1395768801
C   -3.8517879258  -0.6549042726  -0.0178492246
C   -0.0226163439  -0.8981765788   0.9229427960
C    0.6253950111  -0.4320704476  -1.3143265277
C   -4.2126734258  -2.0365904126  -0.5411384962
C    0.4879813003  -2.1834883937   0.8170690629
C    1.1501563089  -1.7058743537  -1.4463170735
C    2.6970747980   1.4181575816   1.0796377195
C    1.0699913782  -2.5763648967  -0.3744088551
C    3.5039994575   2.2892786760  -0.6187808851
H   -3.5983647109   2.1436553330  -0.2073515998
H   -2.1861024320   2.1262017579  -2.6319677640
H   -2.0570773822   3.4467499299  -1.4551205949
H   -2.3753405469  -0.3198397216  -1.5535984960
H   -3.9314759627   0.4021366901  -1.8891538817
H    0.2715663502   2.0305955502   1.8857560474
H    0.0825856130   3.3504882897   0.7384827286
H   -4.7495782886  -0.1591123402   0.3644006283
H   -3.1752237240  -0.7597688391   0.8329557715
H    0.6915579132   0.2380736649  -2.1589257559
H   -4.6905372795  -2.6420089801   0.2304360506
H   -4.9004584940  -1.9816817135  -1.3875158948
H   -3.3238454584  -2.5760395473  -0.8753858821
H    0.4338176569  -2.8626125578   1.6566830809
H    1.6129355522  -2.0078149036  -2.3754818614
H    2.5161641446   0.8663085008   1.9891197908
H    4.2058449746   2.5701430963  -1.3887894765
*