! 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
F    4.9060156336   1.8207612235  -0.5853427884
F   -2.6087231603   0.2329220345  -2.6306778418
F   -3.9265070930  -1.5019122546  -2.4782872090
O   -0.6983244765   0.5954091592   1.8177552136
N   -0.4660526310   0.5582071672  -0.4341850119
N   -4.7389396313   0.0051230851   1.0630572821
N   -4.6560288052  -0.4725459357  -0.1716378236
C    4.0591817835  -0.6588799446   0.8772203415
C    3.0943124255  -1.8550467355   0.9676430213
C    1.6635933870  -1.3010269916   0.8959834855
C    3.2137413563   0.3295324187   0.1029324616
C    1.8586351795  -0.0046418549   0.1438151054
C    4.3531680283  -0.0817404109   2.2662494831
C    5.3626910552  -1.0650914199   0.1943011602
C    0.7085868352  -2.3124064666   0.2727658928
C    0.9180884062   0.8334162917  -0.4506514709
C    3.6056505890   1.4785936248  -0.5518596722
C    1.3497202839   1.9754752133  -1.1208638426
C    2.6935502683   2.3002641862  -1.1855839355
C   -1.1922199098   0.4687032121   0.7095521041
C   -2.6266065500   0.1847402446   0.5443269043
C   -3.3888343385  -0.3715674804  -0.5083363518
C   -3.5572124794   0.4016752940   1.5406173913
C   -2.9321964047  -0.8463813026  -1.8440089761
C   -6.0106196010   0.0341367011   1.7510085298
H    3.2643458028  -2.4547540067   1.8640899430
H    3.2601996848  -2.5112853393   0.1067670908
H    1.3060849485  -1.0620618824   1.9035065395
H    4.9397286228   0.8364393021   2.1988407120
H    3.4365871892   0.1519354679   2.8114990498
H    4.9237147808  -0.7941705841   2.8661449765
H    5.2010711063  -1.3416806423  -0.8490914539
H    6.1153922167  -0.2780259953   0.2232235064
H    5.7881757722  -1.9342069256   0.7007129743
H    0.9359279923  -2.4748180520  -0.7824543331
H   -0.3389795774  -2.0277068931   0.3515087068
H    0.8085806697  -3.2725059800   0.7824439379
H    0.6235335656   2.6266842356  -1.5914028866
H    3.0235984529   3.1911555244  -1.7036461144
H   -0.9588838549   0.7594016595  -1.2903057529
H   -3.4445125048   0.8121396512   2.5311889990
H   -2.0554939376  -1.4947432440  -1.7986047856
H   -6.7732359416  -0.3396216953   1.0754675038
H   -5.9781829309  -0.5965277785   2.6370008378
H   -6.2608307894   1.0517260623   2.0428268298
*