! 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  -0.5130209060  -0.6262996082   2.5460483286
Cl   2.1292922310  -4.0728933680  -0.5402257814
O   -1.7485688737   1.3177533454   0.7139125847
O   -0.7398680622   1.8932087333  -1.1840519392
N    1.7728636502   2.2131477524   0.3829356854
N    2.6734596635   1.4124997931   0.9571634385
N    3.5547314386   2.4232057045  -0.8348144847
C   -0.5095502811   1.3351754494   0.0746130299
C   -2.7845400307   1.3016171626  -0.2669973805
C   -2.0183157021   1.4324544319  -1.5877206571
C   -3.6326595035   0.0491488343  -0.1634253448
C    0.4165006645   2.2717580036   0.8599166720
C    0.0989831556  -0.0612141909  -0.0595807839
C   -4.8037085621   0.0714009081  -1.1395890133
C    0.1543587262  -0.9777449275   0.9875407535
C    0.7082591732  -0.4274271243  -1.2561663100
C   -5.6728059067  -1.1719619955  -1.0340987219
C    0.7692615298  -2.2128671595   0.8477173823
C    1.3321693586  -1.6514297381  -1.4242327135
C    2.3090148642   2.8039407634  -0.6893104640
C    1.3543751499  -2.5377066938  -0.3630178306
C    3.7252267672   1.5720668323   0.1968521923
H   -3.4118847651   2.1830834813  -0.0960223259
H   -1.9450020430   0.4708307762  -2.1108604510
H   -2.4496786337   2.1626915025  -2.2706406265
H   -4.0146605872  -0.0386002757   0.8575839677
H   -3.0090096299  -0.8328521829  -0.3441194964
H    0.4225903898   2.0034101909   1.9139137869
H    0.0450291822   3.2933775365   0.7744616949
H   -4.4371827139   0.1653232550  -2.1667451168
H   -5.4137191436   0.9604641679  -0.9530813964
H    0.7042887321   0.2610317502  -2.0896939773
H   -5.1068952591  -2.0749342125  -1.2708508128
H   -6.0761703341  -1.2912180151  -0.0266104625
H   -6.5179079845  -1.1246750036  -1.7222173409
H    0.7957445556  -2.9059024133   1.6772257607
H    1.7946555116  -1.9003783053  -2.3691232847
H    1.7681679949   3.4972323563  -1.3141429473
H    4.6537761258   1.0601168657   0.3967337342
*