! 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  -4.3909638668   1.2286407908  -2.6189367048
O    1.5551102939   1.4105573117  -0.6652660717
O    2.0859644830  -1.2503435522   2.4431276640
N    1.6781979818  -0.6179183328   0.3013653611
N    1.8635270421  -2.8855793413   0.8882715193
N    1.2862435500  -5.0069281430   0.9540021857
C    1.7788538558   0.8424328131   0.6002429676
C    1.1006822680  -0.8296976806  -1.0535898623
C    0.6206418109   0.5997412477  -1.3273713280
C    0.6796324172   1.2719928322   1.5842260279
C    3.1686154232   1.2547489796   1.0452745549
C    2.1576716916  -1.2165071898  -2.0840922568
C   -0.0855235430  -1.7826464712  -1.0979342656
C    0.4748741408   2.7859197847   1.6672855017
C    1.8838324365  -1.5099055945   1.2753052374
C   -0.9858709145   3.1528076011   1.9620490131
C   -1.8982986189   2.7130608081   0.8508370024
C    2.7977772648  -3.5635043438   0.1437114377
C    0.9923535801  -3.8104407368   1.3719355331
C   -1.8672280827   3.3588502146  -0.3841765046
C   -2.7331641911   1.6079659270   0.9887960463
C    2.4158815737  -4.8687169879   0.1944724441
C   -2.6318962961   2.9157158797  -1.4513469537
C   -3.5038377431   1.1443783970  -0.0689383642
C   -3.4418623998   1.8024389388  -1.2851324153
H    0.6282295100   0.8418118116  -2.3895640268
H   -0.3987289187   0.7579510918  -0.9524477647
H    0.9038467770   0.8770643068   2.5736496084
H   -0.2526243683   0.7898516900   1.2795517264
H    3.4031099502   0.8749396840   2.0362615609
H    3.2361939783   2.3424724597   1.0851374790
H    3.9246152989   0.8963481020   0.3465213806
H    1.7213314275  -1.1824841968  -3.0832903028
H    2.5266929871  -2.2288683657  -1.9359945234
H    3.0085158456  -0.5342927820  -2.0663967079
H   -0.6231493846  -1.6223259916  -2.0344686737
H    0.2039515090  -2.8320134937  -1.0809779031
H   -0.7880326036  -1.5967362253  -0.2843578276
H    1.1097157237   3.2118170184   2.4473693433
H    0.7685515357   3.2714025102   0.7344116035
H   -1.0582861690   4.2345970479   2.0982294627
H   -1.3002623959   2.6970648799   2.9042404566
H    3.6499444465  -3.0785629462  -0.3002256121
H    0.1565773900  -3.5397288546   1.9987341333
H   -1.2301612367   4.2245317399  -0.5234484128
H   -2.7833161153   1.0863550125   1.9372233169
H    2.9025468739  -5.7139971397  -0.2664229429
H   -2.5923518732   3.4315863991  -2.4015435415
H   -4.1395838088   0.2784837192   0.0597673628
*