! 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   5.3337076864   2.4675009499  -0.1621397087
O   -2.4602291231  -0.7080382846   1.8567008331
N   -1.2307494084  -2.6120605942   0.1268969389
N   -0.0631702354  -2.7018210042  -0.5164042932
N   -0.0757741322  -4.0591926769   1.2615505405
C   -2.3170844878  -0.3945992755   0.4812429332
C   -3.5304637380   0.4785145242  -0.0030815742
C   -0.9527927720   0.3146042738   0.4456101517
C   -2.2697154061  -1.7126804140  -0.3209675058
C   -4.8537496346  -0.0958590366   0.5288278536
C   -3.4058622237   1.9078276060   0.5294666856
C   -3.6530231058   0.5240052948  -1.5318116974
C   -0.3996763146   0.7784936443  -0.9031781116
C    1.0322343055   1.2131886960  -0.7565526104
C   -1.2218855721  -3.4235707836   1.1856254254
C    1.3590247037   2.5391228865  -0.4894828512
C    2.0664099369   0.2833008611  -0.8356652411
C    0.5952983003  -3.5796608261   0.1976485748
C    2.6763916575   2.9350488859  -0.3053948435
C    3.3886984299   0.6584899979  -0.6561601402
C    3.6823782769   1.9867545230  -0.3898002101
H   -0.2232571778  -0.3645954255   0.8952292434
H   -0.9935922629   1.1733436009   1.1201148912
H   -3.2223038671  -2.2400949141  -0.2446947642
H   -2.0915415474  -1.5388541999  -1.3791625932
H   -5.6898647785   0.4453097904   0.0825431072
H   -4.9652178989   0.0161605324   1.6094382265
H   -5.0005088919  -1.1488276257   0.2771186786
H   -2.5845549402   2.4593910601   0.0690980328
H   -3.2612234452   1.9300333066   1.6110405600
H   -4.3198079854   2.4658638331   0.3143061981
H   -2.7398768271   0.8377514332  -2.0344482361
H   -3.9495593307  -0.4373460924  -1.9548430450
H   -4.4294437477   1.2388593377  -1.8117606612
H   -0.9869100181   1.6102536317  -1.2953490894
H   -0.4549506786  -0.0230530629  -1.6421107253
H   -3.3129053719  -1.1297420882   2.0074431641
H   -2.0603191428  -3.5330604211   1.8542568758
H    0.5760409001   3.2855365959  -0.4244120671
H    1.8356332995  -0.7553710796  -1.0404768409
H    1.5967093861  -3.8869796945  -0.0619364842
H    2.9098733329   3.9711584703  -0.1002006096
H    4.1777618949  -0.0783751515  -0.7247239632
*