! 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   0.4525844697  -1.1810193534   2.3838848491
Cl   1.2575306554  -5.3997203311  -0.7710543618
O   -0.7219664933   0.8413993116   0.6230731377
O   -0.0121610833   1.0922806227  -1.4854823561
N    1.4283360706   2.6512410962   0.3930607630
N    1.6755621987   3.5212608572  -0.5882996741
N    0.8198037237   4.5728697884   1.1935460618
C    0.3322739624   0.5532070424  -0.2487861832
C   -1.7986329102   1.4549093082  -0.0877981269
C   -1.4248396235   1.1655609594  -1.5351246854
C   -3.1164513892   0.8793700376   0.4005452560
C    1.6226364704   1.2375030734   0.2214674522
C    0.5525444810  -0.9552340455  -0.3419101081
C   -4.3418105884   1.7113386812   0.0333559268
C    0.6144038540  -1.7922732080   0.7711962560
C    0.7404141233  -1.5411792035  -1.5899020745
C   -4.6185343184   1.8533498995  -1.4566941181
C    0.8304317672  -3.1566518755   0.6488210350
C    0.9553322585  -2.9005933123  -1.7417485986
C    0.9106975554   3.2902405427   1.4460452029
C    0.9940340313  -3.6995738725  -0.6135157301
C    1.3006099593   4.6584320917  -0.0634206687
H   -1.7762458612   2.5365469037   0.1014079078
H   -1.8609179879   0.2216532808  -1.8855212888
H   -1.6980505823   1.9562729407  -2.2308642171
H   -3.0674970252   0.8139277410   1.4900542391
H   -3.2282642315  -0.1458059600   0.0332410710
H    2.4170118614   1.0827393962  -0.5070200825
H    1.9561515978   0.8118226797   1.1662879772
H   -4.2479899410   2.7052546062   0.4807113732
H   -5.2101898450   1.2505133163   0.5098371077
H    0.7181218350  -0.9225079080  -2.4761634802
H   -3.8492928139   2.4314671630  -1.9706657755
H   -4.6919493298   0.8813421688  -1.9488132172
H   -5.5625675593   2.3743832188  -1.6238191500
H    0.8698933598  -3.7833039917   1.5290419130
H    1.0909248464  -3.3221638248  -2.7279349414
H    0.6314863543   2.7903772230   2.3598569142
H    1.3810581830   5.5886742009  -0.6042655912
*