! 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  -6.0068673244  -3.5433740218   0.4969780619
F    2.5237026234  -2.1448758168   0.1611433663
F    2.1892003958  -0.9615676081   1.9485983951
F    0.6735018946  -2.2591808478   1.2041580427
O    3.9775859975   0.0881157955   0.2229896635
O   -2.3616344837   0.8436545712  -0.8372856967
N    3.2657253383   2.9577414542   0.0818199337
N    3.3807781551   2.5880790191   1.3628866906
N    2.0569641353   4.3840236337   1.1903495251
C    3.3441090811   0.6777266017  -0.8853023604
C    1.8127521155   0.6042226279  -0.8094323223
C    3.8202057859   2.1456982665  -0.9761375231
C    3.8296788271  -0.0511377615  -2.1337114106
C    1.0533608974  -0.2904389614  -0.0370598141
C    1.0989329940   1.4892671045  -1.6200342422
C   -0.3402276929  -0.2165602161  -0.0395183834
C   -0.2789279566   1.5489082957  -1.6509132163
C   -1.0037361506   0.7006866377  -0.8340277364
C    1.6300143872  -1.3996236984   0.8143807082
C    2.4636321128   4.0159546828  -0.0029592331
C    2.6427100438   3.4730234016   1.9852144122
C   -3.1697616882  -0.2188497432  -0.5147667070
C   -4.1697051613  -0.0056754470   0.4201219694
C   -3.0388473855  -1.4488092837  -1.1457271555
C   -5.0533800762  -1.0289550377   0.7279850353
C   -3.9124681978  -2.4759943958  -0.8290640470
C   -4.9134742109  -2.2585639550   0.1057055200
H    4.9084010491   2.1526793868  -0.9051780590
H    3.5649105908   2.6180320421  -1.9208992578
H    4.9095598732   0.0568635742  -2.2493848713
H    3.5975983792  -1.1136417148  -2.0756581963
H    3.3532616505   0.3458974633  -3.0292484519
H    1.6284593474   2.1627167476  -2.2793857259
H   -0.9170940412  -0.8823281481   0.5849936953
H    3.8704915072   0.6842485485   0.9816609197
H   -0.7814408004   2.2558323434  -2.2976371831
H    2.2188960768   4.4921051131  -0.9390290742
H    2.5270519710   3.4580083523   3.0572392383
H   -4.2668760195   0.9573671494   0.9035058885
H   -2.2669331707  -1.6165718198  -1.8857144911
H   -5.8365687089  -0.8621547366   1.4543399211
H   -3.8119254013  -3.4350027189  -1.3178251479
*