! 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  -1.0240011546   0.8611970776  -2.9252034539
Cl  -5.0343860090   2.6889091511   0.0948926967
F    3.2740038946   0.8557454858  -0.8352598220
F    3.8397173822   1.1357136151   1.2277241490
F    4.3915324436  -1.6687036609  -0.8046157396
F    4.9850121776  -1.3625145106   1.2755633433
O    2.4452874948  -0.5281013348   0.7164022003
N   -0.8449559282  -2.2429285442   0.3616095393
N   -0.4539299895  -2.5221673002   1.6073643475
N   -2.6177681787  -3.0262003822   1.3369537428
C    0.2848645849  -0.1327967443  -0.3229449393
C    0.0429188459  -1.6262156602  -0.5930137833
C    1.1821512669   0.1313567580   0.8851801994
C   -1.0272010066   0.6029933169  -0.2158354751
C   -1.7014618924   1.0739958947  -1.3426934082
C   -1.6576258916   0.7938724555   1.0124999135
C    3.5015671985   0.1820272835   0.3232714041
C   -2.9267268475   1.7163703126  -1.2631976980
C   -2.8819297504   1.4305512444   1.1266138645
C   -2.1378445756  -2.5403376129   0.2171519994
C   -3.5067155011   1.8898365735  -0.0188529658
C    4.7083350651  -0.7305882167   0.1143272207
C   -1.5486076526  -2.9896350654   2.1538959624
H    0.8146478668   0.2377397882  -1.2022785528
H   -0.4067812511  -1.7481350911  -1.5774902417
H    0.9836506193  -2.1752000753  -0.6046199722
H    1.3043454335   1.2064905433   1.0307288624
H    0.7741012224  -0.2801450629   1.8052978709
H   -1.1931270493   0.4412644749   1.9236004375
H   -3.4172229821   2.0731048893  -2.1580833728
H   -3.3361200280   1.5589997247   2.0991210913
H   -2.6740807060  -2.3977118204  -0.7083270360
H    5.5857812993  -0.1739663851  -0.2183579901
H   -1.5737123152  -3.3234329311   3.1797273636
*