! 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  -5.4126234573   4.4911977761   1.1302084157
O    1.7873993694   1.3093274594   0.5771750507
O    0.6022849288  -2.6393123439   0.8987943798
N    1.9346212023  -0.9278958541   0.2360770291
N    2.4711366081  -3.1572390220  -0.2832815491
N    3.0981804164  -4.7539750217  -1.6593924235
C    1.1326929707   0.1133056520   0.9380950643
C    3.0851285785  -0.3161276021  -0.4741940294
C    2.5487470276   1.1087802402  -0.5860076139
C   -0.3372838039   0.1564455769   0.5041659160
C    1.2339455984  -0.0228846757   2.4504152377
C    4.3507951040  -0.3344531026   0.3783885785
C    3.3585186382  -0.8586244530  -1.8692826400
C   -0.6081440040   0.2479207997  -0.9912048862
C    1.5910733293  -2.2139400543   0.3405479440
C   -2.0969763381   0.0990079405  -1.3233446390
C   -2.9489598662   1.1811963779  -0.7214380813
C    3.6320563718  -3.6769621280   0.2327108652
C    2.1865734881  -3.8584832869  -1.4106145237
C   -2.9699299869   2.4582869211  -1.2789464995
C   -3.7111531189   0.9540100832   0.4207331122
C    4.0035621256  -4.6540820328  -0.6403004459
C   -3.7221849011   3.4794933695  -0.7197115253
C   -4.4703045331   1.9626229415   0.9975931757
C   -4.4675327662   3.2211457706   0.4203457278
H    3.3523902384   1.8458171121  -0.6126554390
H    1.9504915208   1.2300336184  -1.4962126860
H   -0.7683305441   1.0266929705   1.0072813944
H   -0.8536631474  -0.7107585017   0.9153831246
H    0.7134254430  -0.9063845758   2.8126322691
H    0.7771944883   0.8457980755   2.9263530864
H    2.2738093094  -0.0782277389   2.7727127095
H    4.7190982435  -1.3446765460   0.5445629491
H    4.1958330543   0.1356963863   1.3497244598
H    5.1430328798   0.2142161894  -0.1328189669
H    3.9326977775  -1.7829620336  -1.8705853889
H    2.4410260824  -1.0070352958  -2.4393246588
H    3.9571434575  -0.1215264763  -2.4082271164
H   -0.2533678977   1.2022606809  -1.3885451864
H   -0.0686629194  -0.5351521317  -1.5311090965
H   -2.4463219078  -0.8783896660  -0.9807784013
H   -2.2123663549   0.1061402826  -2.4099221272
H    4.0579302167  -3.3417254914   1.1629877059
H    1.3117015353  -3.6536090594  -2.0084159732
H   -2.3929326075   2.6662216617  -2.1725047240
H   -3.7201385360  -0.0293411786   0.8753303876
H    4.8693727123  -5.2946352697  -0.5776194654
H   -3.7275903968   4.4622892621  -1.1718093829
H   -5.0554832487   1.7628177301   1.8852174676
*