! 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   1.4227159797   0.5761653301   3.0437179699
Cl  -7.0262313501   1.9907098998  -3.0600887228
O    2.6146528198  -0.8604077282  -1.0679728222
O    3.1946590224   0.3918523646   0.6752382333
O   -3.1512058241   0.5494960767   1.0857963623
N    4.1044195547  -2.2714439035   0.8929603942
N    5.0334344676  -1.8519478827   1.7531701664
N    5.9788864918  -2.9905906736   0.0741425396
C    2.3570994631  -0.6482921358   0.2906589317
C    3.1742629921   0.3271621592  -1.6347539369
C    2.7190703773  -1.9252310044   1.0526446454
C    3.2545953181   1.2698778429  -0.4302794733
C    0.8828016325  -0.3099762630   0.5100118084
C    4.5130554625   0.0163806133  -2.2649131278
C    0.3901394897   0.2392314109   1.6936280252
C   -0.0473339972  -0.5791215191  -0.4898330777
C   -0.9513038168   0.5412128223   1.8579276653
C   -1.3965497442  -0.3033994357  -0.3480203797
C   -1.8443498182   0.2717712556   0.8317967131
C    4.6819999676  -2.9421343540  -0.1070869236
C    6.1389365686  -2.3080504279   1.2259637307
C   -4.0085283281   0.8778150116   0.0718067438
C   -3.6705450210   1.7952550595  -0.9141896205
C   -5.2723483900   0.3092312231   0.1014030343
C   -4.6012563625   2.1333509841  -1.8829649587
C   -6.2081864555   0.6575029261  -0.8594776055
C   -5.8637528337   1.5623883821  -1.8502503233
H    2.4886088884   0.7193793012  -2.3910133942
H    2.1016342223  -2.7441098569   0.6852841317
H    2.5186722892  -1.8148662465   2.1155960415
H    4.1890001163   1.8289773825  -0.3805242513
H    2.4248476474   1.9848169664  -0.4177335985
H    5.2436436309  -0.3037007686  -1.5205297818
H    4.4245804165  -0.7666122351  -3.0188962876
H    4.9050307562   0.9056769585  -2.7599617866
H    0.2878417914  -1.0269747679  -1.4146215897
H   -1.3078487003   0.9790820640   2.7808214587
H   -2.0783584214  -0.5439609592  -1.1529100147
H    4.1272298823  -3.3760205004  -0.9232503426
H    7.0998024768  -2.1493212280   1.6905309542
H   -2.6918534652   2.2567827216  -0.9355996672
H   -5.5306234444  -0.3985286101   0.8783027587
H   -4.3383149410   2.8462234758  -2.6522419017
H   -7.1949274333   0.2165140915  -0.8330288954
*