! 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  -4.5866759521   1.9309928653   0.4294757439
F   -2.6806907903  -2.4718842632  -1.4666518135
F   -0.6008904725  -2.0244677805  -1.7636457238
F   -1.2335165640  -3.0977997857  -0.0102489272
O    1.9210302167   1.6586611718  -0.2008295921
N    2.7306877639  -1.3637093798   0.2874810099
N    0.5389684116  -0.9741018208   0.7348109864
N    4.8754046007  -1.8713389580   0.3327538829
C    1.5599916973  -0.6392965588   0.0724287402
C    1.6179825889   0.4963306639  -0.9208893441
C    1.6428100567   2.8443860519  -0.9217383197
C   -0.6573399527  -0.2725902868   0.6154265641
C    1.7773749331   4.0344024035   0.0032434591
C   -1.7336555440  -0.7990083718  -0.1069195246
C   -0.8261846091   0.9366809980   1.2856672952
C   -2.9414022466  -0.1168772011  -0.1660486010
C    2.8399466003  -2.5352139183   1.0073843823
C    1.4782330821   5.3367220002  -0.7234074308
C    3.9998643599  -1.0154778578  -0.0897189470
C   -1.5663328912  -2.0984249325  -0.8333099231
C   -2.0295585090   1.6154296118   1.2347090136
C   -3.0798675048   1.0853849663   0.5039454745
C    4.1624622788  -2.8295953114   1.0124453090
H    0.6387407216   0.5677811174  -1.4105393378
H    2.3423070244   0.2945092673  -1.7186986781
H    0.6239099367   2.8030289728  -1.3320610723
H    2.3274409223   2.9430922762  -1.7754531486
H    1.0896446490   3.9148063414   0.8447765426
H    2.7878921092   4.0649795630   0.4192131267
H   -0.0108388282   1.3395545459   1.8697766215
H   -3.7737973453  -0.5100658125  -0.7322826499
H    1.9835834865  -3.0372383534   1.4217663587
H    2.1669138052   5.5011952098  -1.5539173440
H    0.4644215834   5.3463986190  -1.1281420262
H    1.5679490596   6.1896541776  -0.0508077533
H    4.2175391285  -0.1215357313  -0.6514811823
H   -2.1397918626   2.5527686481   1.7628013179
H    4.6448844161  -3.6826855797   1.4629561773
*