! 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  -0.8509666195   0.6299373003  -2.9557759739
Cl  -3.4151705030   3.5608213086   0.7018136125
F    3.6620803404  -0.8232145389  -0.6231858840
F    2.3964315660   0.8760502021  -1.0307185479
F    4.8104370116   1.5723924166  -0.0759138314
F    4.5205131781   0.3417036610   1.7040955427
O    2.0208872493  -0.3341717613   0.8168706295
N   -1.5558637863  -2.7466579147   0.1189426141
N   -1.1290418484  -3.5730906772   1.0793793182
N   -3.2240334114  -2.8920746708   1.5055123381
C    0.1706456390  -1.1021396550  -0.6365395994
C   -0.6995598659  -2.3253872451  -0.9632480152
C    1.2054734017  -1.4482046738   0.4273489917
C   -0.6867043178   0.0891556916  -0.2956694468
C   -1.2128690344   0.9190350437  -1.2847939768
C   -1.0533348641   0.3735884449   1.0179102994
C    2.9455196526   0.1522563534  -0.0186315081
C   -2.0494512237   1.9857951650  -0.9964068675
C   -1.8878202848   1.4300781744   1.3414637763
C   -2.7965290350  -2.3435795508   0.3940855978
C   -2.3773772596   2.2313917263   0.3251342755
C    3.8784205410   1.0738560175   0.7666426336
C   -2.1622157462  -3.6286770743   1.8796623933
H    0.7018648099  -0.9083978908  -1.5697158935
H   -1.3334839686  -2.0987736531  -1.8188962309
H   -0.0721814749  -3.1688637147  -1.2475929346
H    0.7481643278  -1.7718384521   1.3590396472
H    1.8250917570  -2.2757815374   0.0775975920
H   -0.6845459806  -0.2387558976   1.8299200977
H   -2.4360517024   2.6101464485  -1.7896809079
H   -2.1474884805   1.6188617482   2.3734629727
H   -3.3529738874  -1.6762903553  -0.2452122664
H    3.3412426751   1.8927690791   1.2449098399
H   -2.1518613778  -4.2379119888   2.7696670324
*
