! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -5.3025809608   1.2526408094  -0.4941705922
F   -0.1903177244  -1.0995264237   1.7463766332
F   -2.1422561347  -1.9525413073   2.0099485150
F   -0.8514538499  -2.6978067199   0.4667179258
O    2.3776519542   2.0040661154   0.2601846060
N    2.5435764939  -0.4300911545  -1.2162828881
N    0.2883411269  -0.5321768912  -1.0516232620
N    4.6667407965  -0.7357392136  -1.7296766200
C    1.3178382910   0.1959017601  -0.9763940823
C    1.3590310359   1.6730566698  -0.6322656946
C    2.1948001193   1.4956184442   1.5702257821
C   -1.0027190884  -0.0559533323  -0.8863835603
C    3.3477160092   1.9545644520   2.4360160740
C   -1.8176941082  -0.5773437864   0.1274175905
C   -1.5549829700   0.8582065067  -1.7815070369
C   -3.1360045108  -0.1645998072   0.2514805031
C    2.7278413266  -1.7938191742  -1.3363984198
C    3.2017789411   1.4569037143   3.8656528280
C    3.7594873764   0.1512546907  -1.4690566585
C   -1.2519517622  -1.5818342475   1.0851903396
C   -2.8721876415   1.2644521022  -1.6677695393
C   -3.6541586643   0.7528973536  -0.6467751190
C    4.0361363388  -1.9544425198  -1.6453773978
H    0.3752605789   1.9643751766  -0.2457878794
H    1.5241571393   2.2505527535  -1.5461820411
H    2.1585228099   0.3981066091   1.5627370523
H    1.2396152480   1.8494656712   1.9815624256
H    4.2855562639   1.5880116372   2.0102658934
H    3.3982212143   3.0465330881   2.4270463733
H   -0.9508019899   1.2424279003  -2.5931835839
H   -3.7666734767  -0.5523276649   1.0388628650
H    1.9279521136  -2.4961813873  -1.1820237525
H    4.0490688571   1.7699574079   4.4758080566
H    2.2979042446   1.8471459134   4.3368117172
H    3.1535640657   0.3672720368   3.9098446352
H    3.9161039896   1.2162505923  -1.4609257947
H   -3.2783139330   1.9744095172  -2.3752151183
H    4.5660358594  -2.8796874509  -1.8078327604
*