! 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  -0.1815636755   3.3982988006  -0.9224386859
Cl   1.1777666744   4.8339050508   1.5283538594
F    5.2985338850  -3.0169399477  -0.1823297055
F   -3.6677546130  -3.4067266841  -1.0213681810
F   -3.5392323947  -2.1836698188  -2.8258252802
O   -0.8389649009  -2.3888644121  -1.4879107218
N    0.0559560699  -1.4439613070   0.3691670761
N   -3.5457032580   0.7206969044   0.3245950860
N   -4.2857834702  -0.1353701872  -0.3660342696
C    2.4149737347  -0.9035178363   0.3196962060
C    1.3906626701  -1.8506154153   0.1879459126
C   -2.1606563269  -0.8628701021  -0.2693436244
C    2.1168564691   0.5180776291   0.6021406305
C   -3.4678399539  -1.0922491009  -0.7483840278
C   -0.9441154592  -1.6471754584  -0.5294133283
C   -2.2709057710   0.3298190213   0.4187519444
C    3.7404110825  -1.3150386238   0.2100101093
C    1.7036937128  -3.1790064670  -0.0760824546
C    1.2390940531   1.2363730566  -0.2066614865
C    2.7100830175   1.1631958672   1.6838222030
C    4.0179714102  -2.6379026395  -0.0616653217
C    3.0218661850  -3.5807852871  -0.2133797997
C   -4.0238369273  -2.2082333958  -1.5555092967
C   -4.1442311142   1.8875244294   0.9321330350
C    0.9424767427   2.5588243791   0.0768368693
C    2.4270962561   2.4899811581   1.9599448700
C    1.5369921147   3.1922547583   1.1634341948
H   -0.1306291998  -0.8517942360   1.1633371414
H   -1.5423294195   0.9205358721   0.9519122922
H    4.5478848239  -0.6002667450   0.3067388346
H    0.9169669307  -3.9154208371  -0.1518815677
H    0.7934472124   0.7751948532  -1.0779516109
H    3.3890575048   0.6251777800   2.3321425004
H   -5.1128286269  -2.1562375410  -1.6024880052
H    3.2655458220  -4.6147078353  -0.4184917769
H   -5.0335181957   2.1590640678   0.3710719681
H   -4.4178386481   1.6861170827   1.9667666161
H   -3.4413515925   2.7166413494   0.9027691660
H    2.8909259467   2.9772829562   2.8066377969
*