! 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   0.1453922597   0.4056705505  -2.4164548635
Cl  -3.3686604665   3.3921387706   0.2205881359
O    1.3935523361  -0.9381312769   1.8293021693
N   -0.4459872312  -2.3566062249  -0.0497396830
N   -0.8457500772  -2.6033610223   1.2007920229
N   -2.5531188689  -2.8407827711  -0.2181737083
C    1.2057800066  -0.6033691146   0.4746233882
C    2.5232365923   0.0355148710   0.0126621812
C    0.9008177103  -1.9010600001  -0.3048763292
C    3.7277637052  -0.9019345105   0.0074866602
C    0.0586638759   0.4133248826   0.3400780141
C    5.0350994912  -0.1894743809  -0.3342316538
C   -0.4660349207   0.8947740499  -0.8616900509
C   -0.5189803603   0.9258141963   1.5014555308
C    5.4872733003   0.8210761841   0.7101241156
C   -1.5131617420   1.8043947179  -0.9089661602
C   -1.5604819287   1.8369870419   1.4891451482
C   -1.4754408542  -2.4935682247  -0.8841922734
C   -2.0581203874   2.2668967385   0.2737710215
C   -2.1158540349  -2.8888539962   1.0520043819
H    2.7065442613   0.8834034263   0.6784669805
H    2.3995233545   0.4578325897  -0.9859068839
H    1.5955208650  -2.6781431705   0.0152230117
H    1.0157522847  -1.7883627813  -1.3782664316
H    3.8306455904  -1.3923905116   0.9791661892
H    3.5730561200  -1.6982922684  -0.7264631036
H    4.9404914352   0.3036271765  -1.3069277406
H    5.8161051271  -0.9447399967  -0.4557813574
H    0.6778547247  -1.5323946262   2.1057151046
H   -0.1416981949   0.6071357900   2.4616706338
H    6.4608583649   1.2409563216   0.4524822836
H    4.7953593118   1.6589251992   0.8071870625
H    5.5812669292   0.3572386829   1.6944554744
H   -1.8941654157   2.1446393796  -1.8617241258
H   -1.9730235101   2.1983129428   2.4208455665
H   -1.3952106396  -2.3416601064  -1.9490719574
H   -2.7452047490  -3.1432150465   1.8904770559
*