! 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  -2.8027697223  -2.6894885910   1.1253313832
Cl  -5.2534681511  -1.1650212171   0.8902531580
F    2.1744215032  -0.4630094288  -2.3026439460
F    1.5074944392  -1.9389111828  -0.8474415797
O    2.7571246514   2.3992523382   1.0046907252
N    1.1524094072   0.9333114315   0.3285193853
N    5.3760456355  -0.7616291763   0.6011864900
N    4.7260479969  -1.4642441097  -0.3155126708
C   -1.4917488935  -0.2708410580  -0.6028914735
C   -3.4089424775   0.9356321449  -0.7955356589
C   -1.6883390543  -0.1609301813  -2.1378409928
C   -2.9958828550   0.6643783033  -2.2689788419
C   -2.9342017741  -0.3499407536  -0.1693883612
C   -1.1845877620   1.1282133509  -0.1118695207
C   -2.3640416653   1.8636918977  -0.2254348921
C   -0.0000040539   1.7263441866   0.2998308217
C   -2.4104191117   3.2058150594   0.0911361717
C   -3.5748252788  -1.2728523463   0.5171371070
C   -0.0471808716   3.0830767827   0.6487802104
C   -1.2334454825   3.7954336239   0.5427726558
C    2.4311492602   1.2943005879   0.5954032096
C    3.4537410509   0.2552373536   0.3856579624
C    3.5583361009  -0.8728993127  -0.4600839987
C    4.6664759490   0.2802362813   1.0426670246
C    2.6246622080  -1.4342609742  -1.4649463063
C    6.7047862147  -1.1420941797   1.0308175416
H   -0.8426105269  -1.0793127427  -0.2789284799
H   -4.4451013170   1.2278632901  -0.6494756341
H   -1.8038554885  -1.1533265789  -2.5734822716
H   -0.8300398933   0.3115867412  -2.6148561256
H   -2.8621632365   1.5938961229  -2.8211631725
H   -3.7727997357   0.0891631113  -2.7723428246
H   -3.3228874933   3.7803887600   0.0008789364
H    0.8326063675   3.5906870740   1.0056964787
H   -1.2314329434   4.8406066696   0.8231402863
H    0.9979788495  -0.0380613074   0.1156003652
H    5.0475772175   0.9582374310   1.7893951786
H    3.0788141543  -2.2338523007  -2.0479836571
H    6.7016125797  -1.3971362294   2.0876959009
H    7.4023335478  -0.3261483138   0.8603439525
H    7.0210692661  -2.0060234782   0.4568955007
*