! 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  -5.8243331865  -1.2950796686  -0.6978774918
O    0.0181999697   1.8641521463   0.0130436515
N    1.4067830885   1.7431750830  -0.1703105870
N    4.7536993811  -1.4925030875   0.9029717302
C    1.6026689089   0.2807588113  -0.1969518773
C    0.6818467098  -0.2038983430   0.9355203055
C   -0.4352447858   0.8533262624   0.9183525455
C    3.0603370675  -0.0830048120  -0.0511450282
C    1.1182497868  -0.2629464456  -1.5457979032
C   -1.7834187081   0.3435849988   0.4772871690
C    2.0746815467   2.4354809382   0.9237921059
C    4.0295607766   0.5341513641  -0.8399950732
C    3.4898057416  -1.0979774598   0.7946255813
C   -2.4182825456  -0.6208219937   1.2574281831
C   -2.4294038132   0.8040025261  -0.6638199496
C    5.3497884137   0.1383560437  -0.7281437342
C   -3.6559779191  -1.1312093731   0.9053377976
C   -3.6726913130   0.3035486341  -1.0290995853
C    5.6633137460  -0.8800659319   0.1601782169
C   -4.2753620826  -0.6626983688  -0.2437067053
H    0.3112846794  -1.2138479119   0.7651537228
H    1.1859699893  -0.1983472368   1.9018224776
H   -0.5479650893   1.2851384755   1.9202508998
H    1.2561794750  -1.3438427527  -1.5826171744
H    1.6828623139   0.1757763905  -2.3689909033
H    0.0617795512  -0.0619751475  -1.7204800001
H    1.6995876706   3.4570616012   0.9619155883
H    3.1420003076   2.4939782085   0.7215263563
H    1.9435538497   1.9823678790   1.9137208787
H    3.7582462098   1.3227612914  -1.5313592662
H    2.7808211684  -1.6329410313   1.4164430731
H   -1.9427164533  -0.9874835851   2.1595662461
H   -1.9743224205   1.5586266166  -1.2898586642
H    6.1253095149   0.6052057298  -1.3198024732
H   -4.1292630628  -1.8832317946   1.5220712994
H   -4.1602169923   0.6718468367  -1.9216714329
H    6.6882325121  -1.2165849686   0.2691686827
*