! 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  -4.9306110129  -2.0870267309  -1.0147760071
O    1.7522594285  -1.6094843228  -0.3133257191
N    1.9198455092  -0.2374246197  -0.6522019392
N    2.3439745859   4.2076533154   0.8405184499
C    2.1452746005   0.4225087233   0.6473212525
C    1.0771917852  -0.2930700074   1.5043148519
C    0.8138868964  -1.6069176007   0.7361193307
C    1.8224836578   1.8924571256   0.4645072945
C    3.5354483573   0.1765036854   1.2326026567
C   -0.6127779879  -1.7259952639   0.2559847550
C    2.9923022985  -0.1628498651  -1.6124677617
C    0.6715153665   2.2756051392  -0.2234034663
C    2.6185112522   2.9123291034   0.9702621473
C   -1.6024966422  -2.0570000746   1.1776136683
C   -0.9809193461  -1.5139835212  -1.0673697413
C    0.3776864692   3.6183085440  -0.3672999165
C   -2.9309253168  -2.1683886182   0.8001167779
C   -2.3078509761  -1.6198389860  -1.4618386752
C    1.2464893908   4.5495129685   0.1838961259
C   -3.2733933198  -1.9456523606  -0.5244718705
H    1.4434756874  -0.4776849031   2.5136946522
H    0.1671606116   0.2987116285   1.5961262501
H    1.0474899294  -2.4751074796   1.3576188144
H    3.5971394093   0.5500069007   2.2548229191
H    4.3288501845   0.6556527357   0.6578991799
H    3.7509830667  -0.8920671594   1.2715186441
H    3.9242340734  -0.6404489892  -1.2908647076
H    3.1953261249   0.8878666324  -1.8188178556
H    2.6750106619  -0.6221449144  -2.5489850463
H    0.0124186731   1.5266379616  -0.6437480720
H    3.5276412377   2.6867653756   1.5147011145
H   -1.3394995234  -2.2375672440   2.2137022225
H   -0.2395174738  -1.2577325989  -1.8112702114
H   -0.5083460921   3.9427376652  -0.8960286872
H   -3.6846767149  -2.4306232329   1.5302852496
H   -2.5789232783  -1.4508812215  -2.4954424161
H    1.0446796723   5.6108559052   0.0900843436
*