! 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  -3.3687549547   3.2358847977  -3.1927250578
O    1.7943170889   1.1873209115   0.7617483588
O    2.3018945382  -2.6696446342  -1.3468479342
N    1.6556520581  -0.8562816415  -0.1488736097
N    1.6193406517  -3.0128595209   0.7903924264
N    2.0168901287  -4.5416973566   2.3212380295
C    1.3832019444  -0.1085452957   1.1179443574
C    1.8136028073   0.0929735780  -1.2788044936
C    1.4189285135   1.3940697425  -0.5767517222
C   -0.1194199725  -0.1308674193   1.4334820082
C    2.2363326958  -0.5235345380   2.3024163350
C    3.2660981012   0.1813437540  -1.7428635469
C    0.8686194487  -0.1977416414  -2.4350350658
C   -0.5769396485   0.9406334953   2.4191964985
C    1.8886085201  -2.1593117327  -0.3273967552
C   -2.0870135265   1.1953943014   2.3277719640
C   -2.4794165238   1.7198061186   0.9742899325
C    0.3934028906  -3.4211122022   1.2569647836
C    2.5582412712  -3.7405392161   1.4503870348
C   -3.1160893679   0.9105755487   0.0378116578
C   -2.1381304893   3.0167540619   0.5939217875
C    0.6664450654  -4.3591110508   2.2047371360
C   -3.3956694169   1.3659243827  -1.2433070492
C   -2.4113664595   3.4923458112  -0.6787916160
C   -3.0354435152   2.6562980798  -1.5920677417
H    1.9578505257   2.2573270476  -0.9663589001
H    0.3440435711   1.5984244336  -0.6716222843
H   -0.3856817391  -1.1100184213   1.8304635098
H   -0.6706479963  -0.0306105352   0.4960065136
H    3.2793195729  -0.6631381935   2.0176225310
H    1.8726068224  -1.4269439871   2.7852136661
H    2.2020061864   0.2696812607   3.0499487727
H    3.6204347127  -0.7543800982  -2.1680748260
H    3.9280093256   0.4584715813  -0.9208819011
H    3.3543358393   0.9480165083  -2.5139975049
H    1.1578710279  -1.0805937285  -3.0002447707
H   -0.1566653825  -0.3315178881  -2.0877453216
H    0.8743493546   0.6483391631  -3.1233550170
H   -0.3304650153   0.6448965917   3.4418127345
H   -0.0548724675   1.8822446207   2.2367603110
H   -2.3681065840   1.9141258292   3.1012413052
H   -2.6345448943   0.2744752503   2.5432950150
H   -0.5350701791  -3.0557134664   0.8531928598
H    3.6140560456  -3.6181947984   1.2628774362
H   -3.3949870215  -0.1022234099   0.3036991502
H   -1.6444803708   3.6735320583   1.3008479799
H   -0.0395149761  -4.9175325995   2.7993684340
H   -3.8851479917   0.7167873774  -1.9569951865
H   -2.1373156538   4.5021823145  -0.9537483834
*