! 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  -2.2108129242   0.5054965888  -2.6302478002
Cl  -2.3065847905   5.0136859835   0.2358946505
F    3.0866595480  -1.8968687402  -0.0859127642
F    3.1634432561  -0.2250519451  -1.4505686459
F    3.2037487323  -0.1799169706   2.0568900381
F    3.2937206033   1.5180925136   0.6848449037
O    1.4609816643  -0.3678957110  -0.0141569804
N   -0.8378384402  -2.9884934429   0.9519942209
N   -1.8703107053  -3.6801000506   0.4701352761
N   -0.1345419858  -5.0376746960   0.8566745702
C   -0.8549856996  -0.8268719818  -0.2201517745
C   -0.9203323046  -1.5577558495   1.1252150279
C    0.5045128074  -0.9759578732  -0.8896314861
C   -1.2275623447   0.6302618601  -0.0964175631
C   -1.8414834284   1.3179560017  -1.1431833136
C   -0.9425951792   1.3646045025   1.0528134103
C    2.7600154931  -0.5822136090  -0.2062536681
C   -2.1776481804   2.6595613878  -1.0574218063
C   -1.2684088493   2.7051990564   1.1721925172
C    0.1920188648  -3.8081173783   1.1734804112
C   -1.8862901746   3.3419629278   0.1103359150
C    3.5783028360   0.2046129396   0.8164365434
C   -1.4045430865  -4.9022145240   0.4331953209
H   -1.5739166932  -1.3179440255  -0.8807576642
H   -0.1109200591  -1.2680369973   1.7939331964
H   -1.8580956286  -1.3334041746   1.6313996641
H    0.7352146126  -2.0300076355  -1.0626229640
H    0.5080961956  -0.4729537660  -1.8583786813
H   -0.4609165107   0.8877944589   1.8946392968
H   -2.6576366437   3.1589276381  -1.8878764076
H   -1.0390328700   3.2392415115   2.0835714163
H    1.1396667370  -3.4714335758   1.5636327259
H    4.6508698644   0.0481938612   0.6930896662
H   -2.0076375001  -5.7296678318   0.0937039619
*