! 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   0.7662585049   2.1592732547   1.1168875364
Cl   4.9698001816  -0.1179609969  -1.2034633028
O   -1.2697089879  -1.7770883086   0.2842661388
O   -1.3151411362   0.1675252507   1.3630139388
N   -1.4653144673   1.5295778448  -1.2526974936
N   -0.4944653298   1.9019536777  -2.0902382121
N   -1.5110893948   3.6970103369  -1.2207681474
C   -0.9150850809  -0.4276021115   0.1758288867
C   -1.3930804879  -2.1235578744   1.6655419446
C   -1.1053849877  -0.7968279177   2.3762895255
C   -2.7756982666  -2.6853692438   1.9352927513
C   -1.7393835396   0.1441667870  -0.9824496310
C    0.5884505448  -0.3050414194  -0.0883376351
C   -3.1043210511  -3.9231178778   1.1099258744
C    1.3814264787   0.7854993303   0.2622599422
C    1.2052279857  -1.3318249108  -0.8010891151
C   -4.4634306212  -4.5102095856   1.4581030257
C    2.7288778017   0.8430177724  -0.0692601109
C    2.5417314502  -1.2954597576  -1.1539557013
C   -2.0596702507   2.6098172467  -0.7385433985
C    3.2964384733  -0.1980077905  -0.7787912840
C   -0.5576537510   3.2070978094  -2.0383774646
H   -0.6327886559  -2.8708769678   1.9147703703
H   -1.7904224190  -0.5902289101   3.1984716484
H   -0.0810177193  -0.7556336050   2.7619668423
H   -3.5262785808  -1.9059086053   1.7618156973
H   -2.8278867508  -2.9343722287   3.0001153297
H   -2.7973752480   0.0394262098  -0.7397799877
H   -1.5437214716  -0.4246887653  -1.8902721855
H   -2.3296648562  -4.6802419606   1.2675815892
H   -3.0793957735  -3.6753918977   0.0460932981
H    0.6244013799  -2.1940616280  -1.0980222992
H   -4.5121622372  -4.8126373719   2.5061072666
H   -5.2655114429  -3.7892824694   1.2868088746
H   -4.6819333661  -5.3911125114   0.8526683251
H    3.3220601059   1.6992445097   0.2203425165
H    2.9804002692  -2.1111861622  -1.7114301998
H   -2.8758239140   2.5539087956  -0.0355371106
H    0.1052003371   3.8304777862  -2.6183885415
*