! 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  -6.1794209996  -1.2597340009   1.7197942624
F    2.1587421133  -0.1248871423   1.8333876927
F    0.9390848138  -1.8543993425   1.6201214341
F    2.9304682348  -1.9115505132   0.8726551490
O    4.1387395632   0.3392740396   0.0992352926
O   -1.8141107635  -1.0183932027  -2.1816357431
N    2.4366593347   2.6488388891   0.3147995262
N    2.9357417368   2.8324349471   1.5393887707
N    0.6940016126   2.9321658791   1.5849129012
C    3.4637225046   0.8188692185  -1.0337723190
C    2.0787022171   0.1871038333  -1.2436175272
C    3.2723781069   2.3311335280  -0.8176670971
C    4.3561631043   0.6222497696  -2.2610516074
C    1.3516092344  -0.6171247985  -0.3473836154
C    1.4336568717   0.5456693476  -2.4292343780
C    0.0541492337  -1.0184610979  -0.6644615342
C    0.1422593650   0.1690953389  -2.7388576372
C   -0.5516748334  -0.6179957060  -1.8411379147
C    1.8627260565  -1.1120898207   0.9875522198
C    1.1042269990   2.6988456193   0.3628021487
C    1.8573161984   2.9965650977   2.2587721269
C   -2.7955494084  -1.0574939684  -1.2239680688
C   -3.7018651881  -2.1046690773  -1.2886073126
C   -2.9281226017  -0.0675419801  -0.2588432212
C   -4.7518818253  -2.1646337214  -0.3859980737
C   -3.9706266075  -0.1336998470   0.6514251896
C   -4.8754239428  -1.1814521229   0.5823449876
H    4.2409559449   2.8045578838  -0.6631602971
H    2.8275447550   2.7829082474  -1.7027295858
H    5.3342911260   1.0671329545  -2.0735184090
H    4.4984720102  -0.4408704691  -2.4627483948
H    3.9609911262   1.0773920087  -3.1660070599
H    1.9417513616   1.1767165595  -3.1448600378
H   -0.5006833006  -1.6527750939   0.0110453061
H    4.6093664641  -0.4661271052  -0.1406571282
H   -0.3154597343   0.4890992307  -3.6653389563
H    0.4801294561   2.5940355270  -0.5111399566
H    1.9116058316   3.1834977465   3.3198062375
H   -3.5946038133  -2.8709798160  -2.0448306124
H   -2.2355883004   0.7624466616  -0.2063967055
H   -5.4592123273  -2.9804637529  -0.4394164384
H   -4.0730776092   0.6369248283   1.4026699040
*