! 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  -0.4497787874  -0.4723199254   2.5965153764
Cl   1.8685387933  -4.1238820120  -0.5150372210
O   -1.7115095622   1.4439458226   0.7194585549
O   -0.6994653972   1.9716396174  -1.1832404034
N    1.8287424527   2.2388181982   0.3740156817
N    2.7000820640   1.4159229189   0.9618963763
N    3.6140084385   2.3575187633  -0.8511852601
C   -0.4742150781   1.4224538161   0.0810723569
C   -2.7288437492   1.2719122890  -0.2643079355
C   -1.9906220980   1.5448123515  -1.5873003146
C   -3.3659485452  -0.1052545418  -0.1941896509
C    0.4748661885   2.3499027692   0.8483962706
C    0.0935029002   0.0072856431  -0.0407810381
C   -4.5413001177  -0.2428088452  -1.1553095764
C    0.1428514785  -0.8897181881   1.0239365142
C    0.6378736002  -0.4130030494  -1.2500232664
C   -5.1370361284  -1.6420759115  -1.1412723006
C    0.6824110064  -2.1592007369   0.8879897637
C    1.1852785109  -1.6740244973  -1.4155857159
C    2.3836665850   2.7872652271  -0.7112918975
C    1.1973381229  -2.5407411238  -0.3385314020
C    3.7554799041   1.5215370317   0.1971727765
H   -3.4892065405   2.0351255464  -0.0736007712
H   -1.9289698164   0.6452738331  -2.2105861594
H   -2.4463924216   2.3390010336  -2.1778520872
H   -3.7109495536  -0.2870666499   0.8273201816
H   -2.6153501316  -0.8713311366  -0.4149247627
H    0.4723272463   2.1081296067   1.9085211187
H    0.1338316483   3.3793552088   0.7362222028
H   -4.2276328561   0.0011933698  -2.1753492542
H   -5.3119242907   0.4880476051  -0.8929006980
H    0.6397467523   0.2581910485  -2.0974239104
H   -5.4729177518  -1.9222416250  -0.1409613926
H   -5.9966147780  -1.7154895142  -1.8087612023
H   -4.4065823574  -2.3869576572  -1.4629581507
H    0.7029662311  -2.8367608807   1.7303713933
H    1.5937719426  -1.9675145948  -2.3724729656
H    1.8677272874   3.4880542076  -1.3486647992
H    4.6643816353   0.9785443377   0.4052582381
*