! 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  -5.2542833370   0.9369836425   0.8808835638
F   -1.8359077071  -0.5770309697  -2.6639473459
F    0.0530138889  -0.0090118862  -1.8139766588
F   -0.6303893344  -2.0416601245  -1.6592948304
O    2.1653267898   1.4972338417  -0.1195416842
N    2.5329156279  -1.0953921831   0.8929586354
N    0.2627496037  -1.1480716797   0.9101929522
N    3.9583197802  -2.7664571772   0.6802508549
C    1.3045292801  -0.4313729898   0.9120544404
C    1.3680387188   1.0703786653   0.9450932284
C    2.3568678666   2.8989080223  -0.1335570313
C   -1.0147888024  -0.5974699891   0.8860581426
C    3.1448284723   3.2774861350  -1.3677555683
C   -1.7107412149  -0.4357934960  -0.3176144738
C   -1.6578197695  -0.2841821116   2.0800500336
C   -3.0148009944   0.0400380931  -0.3161910710
C    3.7852853850  -0.5812081171   1.1681602742
C    2.4274695842   2.9538397204  -2.6699175256
C    2.7110885324  -2.4207577559   0.6054103241
C   -1.0348604182  -0.7671571958  -1.6127577751
C   -2.9574258788   0.1887050390   2.0859372177
C   -3.6279524256   0.3481293619   0.8848811696
C    4.6380744187  -1.6246031440   1.0386348929
H    1.7716051015   1.3812683552   1.9205774823
H    0.3541440804   1.4809846765   0.8857637820
H    2.8899392378   3.2158309628   0.7725646768
H    1.3865584206   3.4140550689  -0.1328134605
H    3.3398523392   4.3508420656  -1.3097292712
H    4.1220790491   2.7878914803  -1.3399967453
H   -1.1335363528  -0.4197512258   3.0162889265
H   -3.5562907382   0.1757779026  -1.2414816604
H    3.9623030739   0.4427963451   1.4435526772
H    3.0174311006   3.2736154318  -3.5291738003
H    2.2418369636   1.8855074509  -2.7785847751
H    1.4637722532   3.4636201670  -2.7255676318
H    1.8897989462  -3.0632927004   0.3355508189
H   -3.4374937448   0.4292433231   3.0242875027
H    5.7063410974  -1.6197940364   1.1814137711
*