! 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   2.5903560902   0.2455467572  -2.8302299208
Cl  -6.6768754523   0.7923261908   1.2876382303
O    3.4315644753  -0.5746850540   1.5298064329
O    4.3024232553  -0.4738962648  -0.5146451304
O   -2.0120195444  -1.2718091712  -1.5936513833
N    2.0303825098   2.0588529579   0.7555496986
N    1.6202843809   1.9597442794   2.0218315013
N    0.0074591356   2.8441880199   0.7435741346
C    3.2212188737  -0.0470251278   0.2526740575
C    4.2430921320  -1.7478238535   1.4214684344
C    3.2743423083   1.4908214483   0.3094899776
C    4.6076075160  -1.7787873151  -0.0662345412
C    1.8695182368  -0.5024098875  -0.2972230476
C    3.5267483328  -2.9921645084   1.8958935134
C    1.4894897984  -0.3499932511  -1.6286779537
C    0.8946084627  -0.9567445953   0.5882073237
C    0.1961747964  -0.6074991234  -2.0578129684
C   -0.3975847506  -1.2342834819   0.1862396111
C   -0.7471984926  -1.0357384602  -1.1402175760
C    1.0547176762   2.5768137368   0.0029952291
C    0.4056719211   2.4448527262   1.9686979655
C   -3.0656503513  -0.7649945335  -0.8823912119
C   -3.0158895044   0.4807987407  -0.2680120826
C   -4.2223334685  -1.5286361758  -0.8328291046
C   -4.1310132384   0.9575539652   0.4022246800
C   -5.3398169047  -1.0470873748  -0.1698749526
C   -5.2854294821   0.1919021275   0.4482364361
H    5.1324793221  -1.5842382230   2.0367210878
H    3.4744711300   1.8836227209  -0.6857527140
H    4.0834443027   1.8102688934   0.9656441091
H    5.6646226022  -1.9729649179  -0.2446890396
H    4.0214532008  -2.5304391450  -0.6092696377
H    4.2029157856  -3.8468251674   1.8343473211
H    2.6505161775  -3.2172253341   1.2858975331
H    3.2104795963  -2.8997442463   2.9353398820
H    1.1464282795  -1.0829075479   1.6308473267
H   -0.0824081780  -0.4589128504  -3.0927824347
H   -1.1234278209  -1.5844588587   0.9086101494
H    1.1564517193   2.7479492181  -1.0577460832
H   -0.2158718327   2.5221802537   2.8473786120
H   -2.1217840002   1.0918191779  -0.2999522491
H   -4.2532079111  -2.4981518172  -1.3130576529
H   -4.0928955904   1.9270720317   0.8800171781
H   -6.2405212566  -1.6444946942  -0.1316690926
*