! 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 "WATER"
end
*xyz 0 1
Cl  -4.6590656572   1.7007549210   0.8714314069
F   -1.9652625814  -1.0622396992  -2.5388054293
F    0.1036026640  -0.7882810794  -2.0412851034
F   -0.9706225740  -2.4838158012  -1.2748966648
O    1.1411698912   1.7966894362   0.7382734924
N    2.7770213617  -1.4863425261   0.7013125995
N    0.5616100812  -1.0324929361   0.7528896794
N    4.8226562307  -2.3183140984   0.6945682912
C    1.7272632718  -0.5558167287   0.7124492329
C    2.1883053039   0.8857683682   0.6720171637
C    0.7275408558   2.3585908359  -0.4983888582
C   -0.6299604925  -0.3271165045   0.7705833577
C    1.5674476455   3.5595785408  -0.8929852906
C   -1.4865058564  -0.3909372647  -0.3342211241
C   -1.0697694726   0.3292186015   1.9194226927
C   -2.7243886831   0.2416553315  -0.3050706147
C    2.6425488366  -2.8596763402   0.6652460192
C    1.0786362198   4.1733190214  -2.1958076044
C    4.1197423035  -1.2281385325   0.7148578311
C   -1.0803484039  -1.1763204463  -1.5435552178
C   -2.3016459467   0.9487544802   1.9564028731
C   -3.1185985633   0.9119549016   0.8357396573
C    3.9066590417  -3.3443056380   0.6609566983
H    2.8088235154   1.0197268854  -0.2226443394
H    2.8439557642   1.0487763227   1.5333432087
H   -0.3146472819   2.6569045623  -0.3616174872
H    0.7444340589   1.6079877896  -1.2959211739
H    1.5285080121   4.3025636388  -0.0927502623
H    2.6151960462   3.2634874367  -0.9989526124
H   -0.4337133104   0.3540027031   2.7933372898
H   -3.3839632903   0.2103439255  -1.1604870797
H    1.6835397627  -3.3446365145   0.6369928129
H    1.1332120345   3.4600832029  -3.0198208259
H    0.0427603767   4.5068877324  -2.1156640127
H    1.6811022816   5.0384750914  -2.4711695245
H    4.5285879623  -0.2317725287   0.7456808110
H   -2.6175927390   1.4618060731   2.8540202210
H    4.2134104773  -4.3771829493   0.6339161341
*