! 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  -1.5482287585  -0.0883341014  -2.2574048579
Cl  -3.0108428365   3.4524368507   1.4620521929
F    3.6594397188   0.3935382032   1.2587094919
F    4.3186923373  -0.9276710918  -0.3130006426
F    5.1186587347   1.6329964111  -0.6475110443
F    3.0494448084   2.3284785232  -0.6050955069
O    2.1908264706  -0.2400069771  -0.3015575936
N   -1.8466955019  -2.8264752237   0.2030289953
N   -2.8598563311  -2.3379243170   0.9227414005
N   -3.6080827646  -3.1690993777  -1.0233280114
C    0.1725400067  -1.4436150080  -0.0413547173
C   -0.4694727295  -2.6731173350   0.6093108319
C    1.6299053174  -1.3698291308   0.3775080642
C   -0.5996926749  -0.1926919755   0.2950773455
C   -1.4100915041   0.4698915000  -0.6208480584
C   -0.5720322443   0.3141206704   1.5917799411
C    3.4591460251   0.0896368024  -0.0483239860
C   -2.1524275733   1.5913444364  -0.2785527258
C   -1.3001375900   1.4272442968   1.9688602159
C   -2.3064262644  -3.3007959832  -0.9548926590
C   -2.0874123886   2.0594038072   1.0204877551
C    3.8421098747   1.2822150531  -0.9232213197
C   -3.8877198763  -2.5696383009   0.1489914386
H    0.1614648837  -1.6053335876  -1.1205607172
H    0.0748568244  -3.5730333500   0.3242584783
H   -0.4495612545  -2.6088789205   1.6961316938
H    1.7338115030  -1.2653154500   1.4594559781
H    2.1392761420  -2.2866806230   0.0742152166
H    0.0290799462  -0.1790001735   2.3457877123
H   -2.7705846934   2.0853390190  -1.0150738122
H   -1.2556673882   1.7901406757   2.9860172447
H   -1.6662023213  -3.7444585034  -1.7012544588
H    3.7461547483   1.0567538898  -1.9854484414
H   -4.8888972364  -2.3018852578   0.4480568857
*
