! 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  -1.8964407224   0.7462603240  -2.8510820928
Cl  -4.4000813709   4.5607754889  -0.0716319148
F    3.3670937973   0.3799283286   1.3207894232
F    2.5432298955  -1.4253616666   2.1617920077
F    4.9259332572  -1.8306065349   0.9836678458
F    4.2040523150  -0.9736555412  -0.8902095155
O    1.7243252565  -0.6676941746   0.2263260518
N   -0.5130307751  -2.5063684746   0.3330703986
N   -0.0490697258  -3.1014949644  -0.7665646608
N    0.7307600743  -4.1267691707   1.0717680775
C   -0.5401280699  -0.0710540959  -0.1883310143
C   -1.3185355975  -1.3111361119   0.2681364616
C    0.6893281833   0.2259590254   0.6630515625
C   -1.4955282851   1.0958163124  -0.1835946370
C   -2.1551562378   1.5338461405  -1.3296862058
C   -1.7904263466   1.7601165693   1.0054426309
C    2.8144999624  -0.8096743122   0.9831382883
C   -3.0451499617   2.5972871752  -1.3108178144
C   -2.6761561110   2.8219745560   1.0597972952
C   -0.0302820531  -3.1148066394   1.4149529788
C   -3.2942161102   3.2340486450  -0.1082763419
C    3.8290360842  -1.6549701911   0.2148054104
C    0.6888157283  -4.0618650161  -0.2718005245
H   -0.1896035592  -0.2357365123  -1.2088164066
H   -1.7358052766  -1.1509851995   1.2623798490
H   -2.1528433309  -1.4921358006  -0.4090096274
H    1.0118187769   1.2557494542   0.4998346942
H    0.4863235911   0.0916902752   1.7288249936
H   -1.3203668409   1.4458137135   1.9285762084
H   -3.5334814796   2.9184505856  -2.2200096458
H   -2.8771569309   3.3144997341   2.0004295895
H   -0.2784257127  -2.8086503471   2.4191375358
H    3.4267896829  -2.6258598427  -0.0757751017
H    1.2102645475  -4.7582516299  -0.9102547052
*
