! 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   0.6327175219  -1.2317470279   2.4986163379
Cl   4.2911480395  -1.6490527485  -1.3498707815
O   -2.0364288856   0.2811845337  -0.8139102892
O   -1.9522007740  -0.9506115157   1.0453410856
N   -0.3326219059   2.2896897540   0.6922699413
N   -0.6112909125   2.9960848777  -0.4036038856
N    1.4313664346   3.5061214755   0.3591937136
C   -1.2729397351   0.0336476313   0.3314137412
C   -2.9765001082  -0.7786574919  -1.0063310348
C   -2.5732657157  -1.7754492113   0.0769810276
C   -1.2338085339   1.2954955344   1.2072091306
C    0.1338586854  -0.4170995583  -0.0680866180
C   -4.3935263817  -0.2444655336  -0.8686537291
C   -5.4401952469  -1.2571647324  -1.3072069760
C    1.0346691968  -0.9858548857   0.8312256979
C    0.5778725688  -0.2218235021  -1.3727340151
C    2.3111419251  -1.3685596041   0.4470121667
C    1.8474483287  -0.5907117860  -1.7833309605
C    0.8912991383   2.5973467219   1.1320742003
C    2.7040671704  -1.1693557887  -0.8644932972
C    0.4711780328   3.7131804859  -0.5638114949
H   -2.8330027494  -1.2006619187  -2.0061467792
H   -3.4153369943  -2.2845228223   0.5453533957
H   -1.8800789422  -2.5344266382  -0.3022283902
H   -0.9057120596   1.0409648300   2.2128157252
H   -2.2365865207   1.7164048624   1.2789048285
H   -4.4866103232   0.6582221925  -1.4775501848
H   -4.5718409889   0.0555706380   0.1687840702
H   -5.4175743556  -2.1662296587  -0.7028936141
H   -6.4431126853  -0.8387106267  -1.2192714218
H   -5.2985798539  -1.5508971643  -2.3490745031
H   -0.0862935407   0.2327441041  -2.0934971468
H    2.9866577061  -1.8131962257   1.1647296422
H    2.1580093063  -0.4271889838  -2.8059426970
H    1.3335399588   2.1474001083   2.0078098594
H    0.5734087860   4.4176123622  -1.3747368526
*