! 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  -4.5043515353   2.0000856184  -0.5520327304
F   -0.1581258933  -1.6269136168   1.7235603716
F   -2.2581583966  -2.0575052305   1.6732462022
F   -0.9814261666  -2.7868365471   0.1112126179
O    1.4121537647   1.9624555022   0.4125797564
N    2.9698034125  -1.0478967426  -0.9589765466
N    0.7578756361  -0.6361918897  -0.7739856575
N    4.9927513288  -1.8096401889  -1.4129387683
C    1.9223554570  -0.1603644044  -0.6762012876
C    2.3589716974   1.2457476362  -0.3100810174
C    1.4148376685   1.6803870626   1.8038605043
C   -0.4361581756   0.0520917529  -0.6744681417
C    0.5481138462   2.6894084016   2.5240499877
C   -1.4608990046  -0.4818693055   0.1176004434
C   -0.7190710481   1.1673888666  -1.4628572576
C   -2.7098111901   0.1230469510   0.1615287112
C    2.8306689893  -2.3926233191  -1.2399776712
C   -0.9244819878   2.6224134669   2.1509338658
C    4.3021066896  -0.7619241914  -1.0845273892
C   -1.2130058092  -1.7328226386   0.9037704974
C   -1.9643844031   1.7622817542  -1.4361238147
C   -2.9500129191   1.2433960286  -0.6111009580
C    4.0812517741  -2.8359110712  -1.5075258323
H    2.5668395982   1.7843289263  -1.2402827750
H    3.3038974094   1.1922534400   0.2419070447
H    2.4414423561   1.7325381053   2.1877354923
H    1.0509362981   0.6639411946   1.9966001693
H    0.6642553487   2.5020076274   3.5941868614
H    0.9411695123   3.6942947941   2.3466125692
H    0.0410758069   1.5639486221  -2.1224892082
H   -3.4983000146  -0.2737739374   0.7848404280
H    1.8785348597  -2.8910958553  -1.2069051773
H   -1.3374857598   1.6342461200   2.3580187030
H   -1.5038605799   3.3463056110   2.7249213281
H   -1.0896059237   2.8336190539   1.0949285413
H    4.7124399331   0.2236015735  -0.9394782408
H   -2.1602135533   2.6283945958  -2.0532089420
H    4.3842424434  -3.8389841774  -1.7603131491
*