! 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    2.6012510117  -0.3336545331  -2.7088833455
F    3.1031458222  -2.1149015897  -1.5593523473
O    0.8714909510  -0.4461302048   1.7881594798
N    0.5289919028  -0.4600419759  -0.4502699794
N    4.5922026888   1.1398805722   0.8371836961
N    4.7625656142   0.5388650528  -0.3301443189
C   -3.3986431430   1.1872363273   0.7747953194
C   -1.9812518882   0.6991858431   1.1610649873
C   -4.0349625852  -0.2117297824   0.9561006118
C   -2.2579207614   0.1175786465   2.5692667375
C   -3.6699582836  -0.5014206170   2.4302183731
C   -1.8346753949  -0.4765449477   0.2328834223
C   -3.1097154335  -1.0448712157   0.1108517928
C   -3.5600671244   1.8505980394  -0.5903441157
C   -0.7692788806  -1.0175729812  -0.4622681898
C   -3.3366592012  -2.1479504718  -0.6842360171
C   -2.7082777406   3.1126771816  -0.6852542279
C   -5.0246119747   2.1817459954  -0.8594925896
C   -0.9973283726  -2.1291871314  -1.2819293469
C   -2.2602253508  -2.6843750776  -1.3923913195
C    1.2852662899  -0.2742885907   0.6523717134
C    2.6699093574   0.1851974123   0.4215305514
C    3.6124165831  -0.0407481152  -0.6069213888
C    3.3651176668   0.9495637026   1.3341719557
C    3.5292371709  -0.8542440777  -1.8434883629
C    5.6618850419   1.9077676451   1.4352394144
H   -3.7780358708   1.8809283518   1.5365260539
H   -1.1793777767   1.4336592897   1.1351237339
H   -5.0954481810  -0.3168025235   0.7302547139
H   -2.2480322250   0.9189772202   3.3103925665
H   -1.5008503471  -0.6058704528   2.8635350536
H   -3.6916274843  -1.5680683827   2.6569698393
H   -4.3864589471  -0.0158520441   3.0955548303
H   -3.2235916718   1.1580852267  -1.3695580820
H   -4.3259161984  -2.5787770218  -0.7801747092
H   -1.6419811526   2.8980279715  -0.5984594615
H   -2.8567074737   3.6159714066  -1.6429480039
H   -2.9663840030   3.8260922890   0.1021104393
H   -5.6534290071   1.2901121317  -0.8772019015
H   -5.4267028016   2.8534896596  -0.0962846147
H   -5.1439812612   2.6771942900  -1.8251847316
H   -0.1702278822  -2.5545005505  -1.8381123215
H   -2.4095793432  -3.5396517151  -2.0389292927
H    0.9388084518  -0.2761552614  -1.3527302622
H    3.0580113742   1.3678692947   2.2792604945
H    4.4861320225  -0.9055785004  -2.3632081693
H    5.8658573209   1.5481839050   2.4411938406
H    6.5528121236   1.7873265313   0.8272701407
H    5.3970581953   2.9623491881   1.4769215616
*