! 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   1.8430111971   2.4173511866   0.7839915450
Cl   5.3504358273  -1.3878122731  -0.4806362824
O   -1.2560951838  -0.7773887614  -0.0033517663
O   -0.6370207189   0.9189637237   1.3352758199
N   -2.2166716832   1.5941852949  -1.0256721651
N   -2.7060257949   2.5785315253  -0.2676033578
N   -4.3678922087   1.4682212278  -1.2786885967
C   -0.4210168110   0.3326377954   0.0808345051
C   -1.6600996126  -1.1541101058   1.3110155475
C   -1.6265629317   0.1845331488   2.0294969566
C   -3.0262710376  -1.8053895294   1.3101557663
C   -0.8132258338   1.2840894113  -1.0608184784
C    1.0478327172  -0.0654020946  -0.0531014149
C   -3.0987583926  -3.2183566032   0.7385496583
C    2.1059760426   0.7917557086   0.2467368284
C    1.3724719483  -1.3374347980  -0.5139201320
C   -2.8999733158  -3.3252931797  -0.7669374912
C    3.4285025196   0.3948575434   0.1174545237
C    2.6837170521  -1.7609783918  -0.6507952416
C   -3.2181114017   0.9364207149  -1.6158084166
C    3.7042982297  -0.8860618965  -0.3262774709
C   -3.9969483463   2.4677418430  -0.4529346054
H   -0.9180397600  -1.8393257233   1.7435725567
H   -2.5952549510   0.6957037950   1.9775677144
H   -1.3415454337   0.0913541755   3.0781630737
H   -3.7363273314  -1.1489755375   0.7953514822
H   -3.3487487135  -1.8411357106   2.3555911908
H   -0.5871218477   0.8164522903  -2.0182864550
H   -0.2512570847   2.2132071412  -1.0044437433
H   -4.0809446473  -3.6267237430   0.9905685345
H   -2.3715939746  -3.8542430206   1.2530428470
H    0.5815991327  -2.0271063816  -0.7732575035
H   -3.5902072729  -2.6725992308  -1.3050252992
H   -1.8892663743  -3.0616673418  -1.0754437638
H   -3.0865350173  -4.3449812012  -1.1070489331
H    4.2289272582   1.0794217323   0.3618506943
H    2.8974313332  -2.7600439726  -1.0042281310
H   -3.0618401311   0.0995358930  -2.2779062111
H   -4.6994443928   3.1356969997   0.0212009718
*