! 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   0.8876922436   1.5267419122   2.1351588772
Cl  -7.0815142081  -0.0336614845   0.9352904861
O    4.0399070822  -0.1071524275  -0.6472179413
O    3.6349052457   1.2939979012   1.0371132355
O   -2.0430857412   0.8251219794  -1.9244775282
N    2.4619355599  -2.1441303776   0.7644036439
N    1.1660514455  -2.3981964911   0.9602294800
N    2.0394367959  -3.8588627487  -0.4940985554
C    3.1230475498   0.1856917524   0.3699477711
C    4.8200321053   1.0591326230  -0.9295945291
C    3.0931582700  -0.9912414416   1.3529704758
C    4.2415707603   2.0927528808   0.0389979122
C    1.7404210841   0.4404128343  -0.2265670663
C    6.2852813176   0.7595126465  -0.7054093460
C    0.6864208307   0.9936756966   0.4976520169
C    1.4613000918   0.0293157817  -1.5261102220
C   -0.5811950123   1.1400169342  -0.0402274976
C    0.1994476513   0.1414244151  -2.0826342839
C   -0.8232694110   0.6940171464  -1.3314248511
C    2.9680944221  -3.0159538899  -0.1123769532
C    0.9579073596  -3.4332957339   0.1892231406
C   -3.1852908170   0.6110245934  -1.2058295744
C   -4.2730277062   1.4220522274  -1.4934853003
C   -3.2951808947  -0.4069931699  -0.2666816664
C   -5.4781463545   1.2194151382  -0.8403879640
C   -4.4966879834  -0.6014886487   0.3956067187
C   -5.5805353131   0.2126006010   0.1060559551
H    4.6518872006   1.3587374599  -1.9676039123
H    2.5397327207  -0.7328780071   2.2528474317
H    4.1134343262  -1.2436302772   1.6430331758
H    4.9992246607   2.7208040480   0.5073998942
H    3.5071460941   2.7421760011  -0.4495161979
H    6.4899061239   0.5234007320   0.3408380714
H    6.6149494212  -0.0804720895  -1.3182969186
H    6.8896547584   1.6245249270  -0.9818252978
H    2.2462018310  -0.4109047795  -2.1242436719
H   -1.3672027762   1.5938981354   0.5491070209
H    0.0127480165  -0.2010076739  -3.0920012175
H    3.9999431072  -3.0050151245  -0.4259363929
H   -0.0095084634  -3.9064783610   0.1208934904
H   -4.1829702777   2.2094399252  -2.2306885540
H   -2.4582484051  -1.0555528006  -0.0406352101
H   -6.3245667365   1.8526957509  -1.0683877429
H   -4.5793399001  -1.3917784442   1.1292514860
*