! 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   2.4637414580  -0.7822683337  -1.5663218868
Cl   0.1910297115  -5.3419463769  -0.0069519709
O   -0.9880566297   1.1731796777   0.5805505025
O    0.4034046775   1.2797568875  -1.1519931511
N    1.4172905035   2.6358934117   1.0743573445
N    2.2330974151   3.3039419597   0.2562788485
N    1.0007651910   4.7272559178   1.4688107282
C    0.2416609233   0.7092432753   0.1036867261
C   -1.8105423607   1.5565613461  -0.5244407767
C   -0.8853265567   1.3531446823  -1.7265507934
C   -3.0886099849   0.7462629442  -0.6044450926
C    1.3396974642   1.2008344245   1.0506042106
C    0.2553308406  -0.8207308741   0.0517340882
C   -4.0014841878   0.8941712884   0.6054949519
C    1.1972569842  -1.5526318823  -0.6700078248
C   -0.6853890910  -1.5428803240   0.7801938279
C   -5.2748923597   0.0737785899   0.4669106998
C    1.1833412454  -2.9396016721  -0.6958694790
C   -0.7207532599  -2.9267866760   0.7769705465
C    0.6837376038   3.4957712001   1.7860761666
C    0.2158226777  -3.6147271979   0.0268637818
C    1.9522592969   4.5510186279   0.5295902019
H   -2.0554643814   2.6159304149  -0.3954559927
H   -1.1287176823   0.4336010089  -2.2734214525
H   -0.9082432675   2.1849347177  -2.4294893532
H   -2.8458519170  -0.3092689736  -0.7662693059
H   -3.6224295968   1.0752316327  -1.5029874574
H    2.3138441791   0.8139467228   0.7589803404
H    1.1288060378   0.8359834639   2.0557329169
H   -4.2573491754   1.9491792679   0.7429414171
H   -3.4720656804   0.5880285933   1.5118573771
H   -1.4189823511  -1.0146179139   1.3725228732
H   -5.0522284067  -0.9899272371   0.3596296922
H   -5.9187824671   0.1863926000   1.3402648938
H   -5.8530257674   0.3773606810  -0.4082414203
H    1.9205431102  -3.4813562112  -1.2721089866
H   -1.4710932345  -3.4515549715   1.3517152915
H   -0.0451259725   3.1855746307   2.5179095343
H    2.4562456919   5.3679375271   0.0362625229
*