! 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   1.7028406774   1.0407331084  -2.8013440085
Cl  -7.5184600953  -1.3599488675   1.4969272000
O    2.7133175208  -0.0739980051   1.4582184360
O    3.4971015069   0.1248052741  -0.6316245402
O   -2.6243679298  -1.1728628226  -1.7142035734
N    3.7761458590   2.4938569891   0.8140096757
N    4.0856547926   2.5989174936   2.1084808854
N    5.8746789703   3.0426778585   0.8365040214
C    2.4585816162   0.5136842513   0.2138996159
C    3.7993122103  -0.9942709214   1.3496556496
C    2.4850958078   2.0390060396   0.3733392811
C    3.9680198967  -1.1200115719  -0.1560740942
C    1.0990716558   0.0622859799  -0.3135789135
C    3.4846136224  -2.2905341706   2.0542530837
C    0.6884582656   0.2589273783  -1.6319921671
C    0.1910023291  -0.5587070746   0.5392934417
C   -0.5605792101  -0.1407858828  -2.0784454708
C   -1.0595417976  -0.9769242768   0.1192768338
C   -1.4337808195  -0.7617931397  -1.1990158059
C    4.8541154719   2.7508546172   0.0685292136
C    5.3489653866   2.9350548248   2.0737795100
C   -3.7404366462  -1.1961875875  -0.9225956622
C   -4.5569019350  -2.3135536947  -0.9982033152
C   -4.0870976338  -0.1214496093  -0.1141367611
C   -5.7292900262  -2.3618479238  -0.2597887781
C   -5.2512682052  -0.1747018102   0.6342973152
C   -6.0644882686  -1.2951452279   0.5579854526
H    4.6889956243  -0.5365908177   1.7967547278
H    1.7397025358   2.3442339190   1.1059546883
H    2.2431958471   2.5331250049  -0.5659702660
H    5.0045371347  -1.2464877973  -0.4659166814
H    3.3778722714  -1.9516649771  -0.5622757616
H    2.6063959875  -2.7765474906   1.6265630198
H    3.3097950604  -2.1331534793   3.1187283949
H    4.3292562429  -2.9747406556   1.9601019027
H    0.4668094616  -0.7311921150   1.5696952498
H   -0.8570579963   0.0243118477  -3.1059439986
H   -1.7192033492  -1.4700571928   0.8207715322
H    4.8433059307   2.7234647426  -1.0095441135
H    5.9151052894   3.1144838484   2.9747294502
H   -4.2838641020  -3.1443308611  -1.6357676883
H   -3.4630891353   0.7614917394  -0.0609164642
H   -6.3665895753  -3.2332791807  -0.3208374020
H   -5.5195297979   0.6603879566   1.2667185259
*