! 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  -2.5821614830   0.4727685151  -2.6274381780
Cl  -2.4571773170   5.0337320715   0.1445670660
F    2.8065654349  -2.0327601549   0.5543996920
F    3.4115055931  -0.7642170335  -1.0842678617
F    2.9200997793   0.1345713540   2.2722903374
F    3.5972333566   1.3834379878   0.6118986584
O    1.5208639917  -0.2923585169   0.0056644282
N   -0.7019741678  -2.8986638117   0.7828280740
N   -1.3114391508  -3.6657086866  -0.1224896683
N    0.1648285672  -4.8676903603   1.0546381052
C   -0.7921544157  -0.7450405448  -0.4087437343
C   -1.0162612603  -1.4945272074   0.9083229692
C    0.6249334311  -0.8825596996  -0.9442067523
C   -1.2115229122   0.7004780287  -0.2819271771
C   -2.0204377843   1.3295852092  -1.2281957385
C   -0.7882604579   1.4806372427   0.7942485477
C    2.7664000635  -0.7478388929   0.1082287776
C   -2.4104306692   2.6555031107  -1.1101627381
C   -1.1563772411   2.8067521368   0.9386847537
C    0.1752117191  -3.6261649353   1.4770256553
C   -1.9728757051   3.3830735929  -0.0187197407
C    3.5629955104   0.1180756813   1.0831862166
C   -0.7595300955  -4.8358726511   0.0760960655
H   -1.4232304162  -1.2304083516  -1.1553809012
H   -0.4045388157  -1.1060856900   1.7206097933
H   -2.0586617643  -1.3920067884   1.2108366069
H    0.8585591729  -1.9347751288  -1.1212427266
H    0.7148932760  -0.3588435395  -1.8976369476
H   -0.1462264577   1.0550124974   1.5529436659
H   -3.0445967128   3.1085145122  -1.8594548893
H   -0.8054956757   3.3770483401   1.7874133036
H    0.7800974946  -3.2181370491   2.2711832666
H    4.5809745670  -0.2491683878   1.2223185994
H   -1.0358445300  -5.7009709101  -0.5066964454
*