! 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  -4.6867717548   1.7551351693   0.9045664559
F   -0.1913197068  -1.1436222949  -1.9030167862
F   -0.8890175911  -2.7129757917  -0.6108731657
F   -2.2470358580  -1.7592051952  -1.9725416827
O    0.8628916802   1.5294434409  -0.5132703677
N    2.8052048601  -1.3098023622   0.6342342127
N    0.6105830063  -0.8319914923   0.9353760876
N    3.9769107328  -3.0118170904   1.4009857038
C    1.6993055909  -0.4787286709   0.4163756696
C    1.9915097348   0.7286414491  -0.4396848994
C    0.7313059641   2.2708024471  -1.7100176272
C   -0.6055017720  -0.1732850548   0.8672352529
C    1.6978684411   3.4372779605  -1.8165294853
C   -1.5646694715  -0.5186941243  -0.0912481052
C   -0.9520153930   0.7433672755   1.8580080058
C   -2.8176729453   0.0808390678  -0.0812772794
C    4.0757706211  -1.1838239979   0.1076518343
C    1.5901886488   4.4228050874  -0.6636641934
C    2.8146792209  -2.4389605337   1.4065848609
C   -1.2275070539  -1.5305054651  -1.1396688932
C   -2.1976549431   1.3379744512   1.8731604401
C   -3.1239609930   1.0085085454   0.8958643611
C    4.7738101679  -2.2393666458   0.5924902425
H    2.3121806115   0.3683365938  -1.4279155168
H    2.8498816849   1.2601352581  -0.0069308974
H   -0.2977431242   2.6371373111  -1.7139165994
H    0.8438094763   1.6104793842  -2.5798058843
H    2.7261314079   3.0724345823  -1.9042368423
H    1.4824340955   3.9452589269  -2.7609000463
H   -0.2286253359   0.9941425937   2.6222374909
H   -3.5572209077  -0.1707515465  -0.8285117670
H    4.3712167473  -0.3862685993  -0.5514629813
H    1.8491062958   3.9643777416   0.2915252204
H    2.2617309045   5.2698128374  -0.8095180913
H    0.5771314967   4.8205647526  -0.5739708357
H    1.9396163438  -2.7730049639   1.9391782293
H   -2.4419619987   2.0549633294   2.6454082962
H    5.8060477440  -2.4881221023   0.4031563711
*