! 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  -4.7641795387   1.8792246898  -0.1698659189
F   -0.5574031520  -2.1595303630   1.4682274351
F   -2.6529353678  -2.5943493104   1.2885639332
F   -1.3230371941  -3.0647414942  -0.3274696091
O    2.3430412415   1.7430313025  -0.0357950788
N    2.6773642235  -1.1264697600  -0.6252068367
N    0.4369769769  -0.8138129959  -0.8457045175
N    4.8087144024  -1.6963108508  -0.6874093720
C    1.5146902912  -0.4270003455  -0.3080262390
C    1.6764421429   0.7174801504   0.6565305158
C    2.7767740589   2.8075348403   0.7946277841
C   -0.7646904855  -0.1471415146  -0.6348406163
C    1.6536372143   3.7029390465   1.2887965982
C   -1.8145922425  -0.7889748093   0.0319566843
C   -0.9777483783   1.1278491137  -1.1523779501
C   -3.0424002937  -0.1618205439   0.1799270920
C    2.7635016717  -2.2382594452  -1.4401545806
C    2.2117278846   4.8712391651   2.0885754599
C    3.9518545319  -0.8523327891  -0.2056055276
C   -1.5898740358  -2.1513150447   0.6120365245
C   -2.2022884444   1.7557331424  -1.0117981303
C   -3.2272568568   1.1046800725  -0.3473388827
C    4.0754030632  -2.5685005967  -1.4593118797
H    2.2422235832   0.3813401296   1.5350635155
H    0.6916923111   1.0249889822   1.0177628322
H    3.4727766531   3.3888849198   0.1865500020
H    3.3435088059   2.4112774231   1.6481017887
H    1.0837827201   4.0736533038   0.4331498056
H    0.9580418902   3.1375479940   1.9145186212
H   -0.1766421310   1.6305171929  -1.6777396482
H   -3.8545746432  -0.6474301842   0.7018132659
H    1.9027712007  -2.6805420835  -1.9078369180
H    2.7688873482   4.5265376444   2.9611322876
H    2.8870718007   5.4806922915   1.4857313174
H    1.4130440454   5.5204648002   2.4458904663
H    4.1980227975  -0.0298731516   0.4447850594
H   -2.3484249959   2.7468209816  -1.4184152142
H    4.5397923876  -3.3881679022  -1.9828682783
*
