! 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   0.6878615841  -0.0931296090   2.1622830175
Cl   4.3328943576  -2.0430130398  -1.1752047782
O   -2.0947859459  -0.4545810182  -1.3595902427
O   -1.8665304454  -0.1539984985   0.8245106216
N   -0.4476354876   2.3723778784   0.2557824457
N    0.8433282696   2.5859875611  -0.0094763441
N    0.2958992156   3.4561644223   1.9793573697
C   -1.2662727365   0.1250177655  -0.3950252062
C   -2.7342961299  -1.5934186643  -0.7788639654
C   -2.3681435123  -1.4726952381   0.7085004771
C   -1.2905995996   1.6341856281  -0.6458511501
C    0.1507283447  -0.4483448389  -0.5097591164
C   -4.2209256162  -1.5614673976  -1.0848586746
C   -4.9519947876  -0.3206883933  -0.5961966783
C    1.0600735461  -0.5635107950   0.5394615994
C    0.5920249333  -0.8345619441  -1.7738968516
C    2.3419018020  -1.0598915724   0.3413109381
C    1.8664084538  -1.3215520878  -2.0018516130
C   -0.7586949550   2.8897750089   1.4467473567
C    2.7344857161  -1.4333741151  -0.9300687121
C    1.2478337167   3.2352238378   1.0514216704
H   -2.3016471795  -2.5056563100  -1.2014700518
H   -3.2192298558  -1.5832423079   1.3804989000
H   -1.6116758437  -2.2108597048   0.9953747462
H   -2.3149246726   1.9921983963  -0.5363864964
H   -0.9663491780   1.8438901676  -1.6641626259
H   -4.6619430206  -2.4566352184  -0.6372609950
H   -4.3586755244  -1.6694286750  -2.1642138316
H   -4.5631954753   0.5880046825  -1.0560916961
H   -6.0102832760  -0.3824091702  -0.8516574613
H   -4.8924881075  -0.1999187845   0.4869166610
H   -0.0789610194  -0.7541586834  -2.6181217478
H    3.0238716991  -1.1452104427   1.1758567997
H    2.1684289444  -1.6079813918  -2.9996845118
H   -1.7497184731   2.8378515906   1.8696037221
H    2.2683436004   3.5708980686   1.1543793780
*