! 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  -1.1130229583   0.7798673891  -2.9052565474
Cl  -3.0660298921   3.4587907686   1.2851917114
F    4.1680009588  -1.1365459155  -0.1840091251
F    3.0055573363  -0.0188718364  -1.6176543053
F    4.0853480914   1.0059701476   1.5599200111
F    2.9232512663   2.1320332963   0.0927321512
O    2.1224255246  -0.4579767274   0.3930909576
N   -1.5820414792  -2.7286355055  -0.0383464365
N   -1.0843990184  -3.4531018642   0.9660691120
N   -3.2027281556  -2.8767918793   1.3962749340
C    0.1622107825  -1.1565683992  -0.8814809921
C   -0.7747430771  -2.3417614187  -1.1691417113
C    1.3273769088  -1.5854821762   0.0044514310
C   -0.6178776041   0.0154999181  -0.3408930480
C   -1.2417499050   0.9351824070  -1.1818828356
C   -0.8036397395   0.1957792706   1.0281088312
C    3.2272090527  -0.1600908490  -0.2837951377
C   -1.9937064059   1.9958256123  -0.7000803907
C   -1.5509740458   1.2402736083   1.5426621859
C   -2.8432793958  -2.3870597821   0.2348695769
C   -2.1370613142   2.1387500879   0.6679913323
C    3.8311553890   1.1436371900   0.2398208477
C   -2.0904536860  -3.5177580443   1.8014309763
H    0.5755681837  -0.8882751763  -1.8548928632
H   -1.4530240643  -2.0763978571  -1.9783101473
H   -0.2041380805  -3.2089351107  -1.5009312580
H    0.9965749973  -2.0406874801   0.9358429269
H    1.9207589724  -2.3391718795  -0.5176266873
H   -0.3564784693  -0.4943988006   1.7311799153
H   -2.4571186588   2.6945978225  -1.3825630896
H   -1.6692877846   1.3476784320   2.6118689548
H   -3.4515334929  -1.7988223483  -0.4342005835
H    4.7508821405   1.4089571730  -0.2844749106
H   -2.0210591487  -4.0519201616   2.7356375126
*