! 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   0.8012837436   0.1499058340  -2.3242049068
Cl   3.9600458870  -3.7526268543  -0.5452266707
O   -1.3387658391   0.3722724187  -0.3343716748
O   -0.9170370862   0.0640253343   1.8456253711
N   -0.6805315677   2.7683689675   0.8749421941
N   -1.1202206584   3.1100987567   2.0884334551
N   -2.2913657060   4.1718334187   0.5022340115
C   -0.3226550831   0.3580597044   0.6097313477
C   -2.4051004628  -0.4341719670   0.1480864734
C   -2.2900303641  -0.2295995681   1.6498545193
C    0.3171216437   1.7521821971   0.6824166243
C    0.7465574644  -0.6834067986   0.2863853880
C   -3.7111504814   0.0208892476  -0.4612762441
C   -3.7686155002  -0.1676289445  -1.9688116488
C    1.2968259473  -0.8337503178  -0.9863094386
C    1.2385857467  -1.5086680176   1.2931803321
C    2.2789792165  -1.7765053081  -1.2510579119
C    2.2225881722  -2.4536032898   1.0580805230
C   -1.3947038688   3.3994660928  -0.0601420965
C    2.7321831142  -2.5812182108  -0.2210249419
C   -2.0823083253   3.9532373352   1.8162003945
H   -2.2209276930  -1.4862458446  -0.1086002901
H   -2.9062725837   0.6064347513   1.9971313829
H   -2.5615307136  -1.1193813748   2.2187625191
H    0.8663672140   1.9761639224  -0.2302520689
H    1.0244471052   1.7902686741   1.5091469337
H   -3.8810613713   1.0698275618  -0.2025143459
H   -4.5141603222  -0.5495001361   0.0133079719
H   -3.6324913459  -1.2143868758  -2.2445595711
H   -4.7335877310   0.1511438225  -2.3623549072
H   -2.9981957146   0.4120609921  -2.4770583418
H    0.8453866701  -1.4176017897   2.2953429940
H    2.6823738155  -1.8767805381  -2.2490170228
H    2.5800888301  -3.0777700288   1.8650636759
H   -1.2203645529   3.2738642787  -1.1169920400
H   -2.6499278642   4.4392439402   2.5946746669
*