! 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   0.3197232872  -1.1410863603   2.3806047053
Cl   0.8263431331  -5.2991386077  -0.9095533570
O   -0.6531256356   1.0631606050   0.6817468714
O    0.0766012753   1.2711197264  -1.4252434155
N    1.6738884723   2.6791445382   0.4313970810
N    1.3302488592   3.2872369977   1.5683312512
N    1.6937511542   4.7944278105  -0.0476851638
C    0.3679519071   0.6891974099  -0.1831286832
C   -1.8078417839   1.3813804003  -0.0858026220
C   -1.1803843804   1.9297833765  -1.3608148962
C   -2.7148894294   0.1766921635  -0.3067423215
C    1.7069243844   1.2461571857   0.3186169125
C    0.4811999994  -0.8275896138  -0.3353510187
C   -4.0825262132   0.5492413135  -0.8772212953
C    0.4597989480  -1.7035578259   0.7485990538
C    0.6425461513  -1.3855064436  -1.6003392067
C   -4.9813035529   1.2952007414   0.0992898156
C    0.5614170274  -3.0770973497   0.5812881357
C    0.7535031193  -2.7513597835  -1.7957044969
C    1.8815637586   3.5884702176  -0.5254044386
C    0.7034073234  -3.5890166175  -0.6957882397
C    1.3575919474   4.5512441745   1.2352770129
H   -2.3388185930   2.1613299556   0.4628948099
H   -1.7517989380   1.6993271479  -2.2617674675
H   -1.0377024818   3.0132037795  -1.3129924734
H   -2.8503391331  -0.3414532412   0.6471453607
H   -2.2276863909  -0.5342639363  -0.9806240181
H    2.4941586578   0.9650003001  -0.3808540068
H    1.9660070321   0.8335954079   1.2914278183
H   -4.5839097696  -0.3704202765  -1.1871488638
H   -3.9621078752   1.1393818350  -1.7912733735
H    0.6776958874  -0.7403050595  -2.4664471461
H   -5.1352429871   0.7171921703   1.0127266904
H   -4.5736430466   2.2646932232   0.3900372804
H   -5.9627224994   1.4816195940  -0.3391530145
H    0.5293596186  -3.7339317721   1.4395912232
H    0.8735891075  -3.1491658369  -2.7936957478
H    2.1727669188   3.3298603361  -1.5312845435
H    1.1366698376   5.3315169394   1.9472398518
*