! 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  -0.7344616482  -0.1732189635   2.3475353449
F    5.7772447654  -0.1844294744  -1.2072613315
F    5.0381043768  -1.0231514629   0.6203341419
F    4.1405221000  -1.5672553872  -1.2638816794
F   -6.0051018249   0.8928156149  -0.8449449020
F   -5.3156338075   1.9885055479   0.8751414697
F   -4.4475154451   2.3606505766  -1.0541652085
O    2.1840810258  -1.7071576680   0.8846152110
N    0.7372957443  -1.3203956470  -0.8049073042
N   -2.9162130134  -1.7512365805  -0.5496860248
C   -0.9387079342  -2.6660117786   0.4570326354
C    0.0488224495  -2.5886846682  -0.7093677952
C   -1.9674450048  -1.5830606212   0.3657216356
C    2.3265447257   0.3821945693  -0.2414271382
C    1.7563900960  -0.9859890244  -0.0007844999
C    3.6928746201   0.5988981766  -0.4484797225
C   -1.9468688509  -0.4236341529   1.1435537517
C   -3.8841042250   0.3461367160   0.0030591933
C   -2.9084185293   0.5526460542   0.9643775417
C    1.4708889404   1.4756533067  -0.1806660380
C    4.1753993219   1.8951030194  -0.5704923921
C   -3.8446149404  -0.8292796518  -0.7320880286
C    4.6575947361  -0.5465788964  -0.5689001773
C    1.9585036982   2.7689194612  -0.2962021610
C    3.3130349609   2.9782930597  -0.4847142283
C   -4.9182211890   1.3942104609  -0.2543111679
H   -1.4444587537  -3.6314385183   0.3996954110
H   -0.4026950471  -2.6386602383   1.4033299937
H    0.7723341073  -3.3999198614  -0.6170455309
H   -0.4818847932  -2.7365591786  -1.6484261980
H    0.4898995604  -0.7022038053  -1.5604559527
H   -2.8876512597   1.4504836745   1.5683297254
H    0.4110083952   1.3234543569  -0.0250121239
H    5.2270475762   2.0796213518  -0.7395467922
H   -4.5837193716  -1.0442200978  -1.4942839643
H    1.2776886830   3.6072520587  -0.2351216549
H    3.7054524141   3.9820074085  -0.5750181719
*