! 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    2.4336265543   0.0121093437  -2.7044896292
F    3.3654061316   1.9707165535  -2.4572822896
O    0.8676968853  -0.8217887458   1.8648185028
N    0.5459208024  -0.8787384850  -0.3824240159
N    4.7409663329   0.3429930628   0.8551613916
N    4.4833683199   0.8657841664  -0.3359361408
C   -3.2973556544   0.9681325156   0.8319955097
C   -1.9130357228   0.4010370968   1.2301113571
C   -4.0089384214  -0.3957638705   0.9905692251
C   -2.2385727846  -0.1763592929   2.6291644937
C   -3.6786194237  -0.7200149921   2.4649976012
C   -1.8173594201  -0.7735538266   0.2915933813
C   -3.1200182219  -1.2683207283   0.1473483127
C   -3.4032891419   1.6531514990  -0.5275295536
C   -0.7759160685  -1.3669732062  -0.4002566153
C   -3.4045035648  -2.3438866926  -0.6668210602
C   -2.5054618228   2.8852482418  -0.5840170884
C   -4.8484205005   2.0397562891  -0.8265925157
C   -1.0618481998  -2.4529544645  -1.2369420397
C   -2.3532015790  -2.9311745493  -1.3704101429
C    1.2805781225  -0.6349615030   0.7342007048
C    2.6398296325  -0.1229838773   0.4931243375
C    3.2186104135   0.5948420308  -0.5770825537
C    3.6739477381  -0.2491697106   1.3981926780
C    2.5785069314   1.0661674837  -1.8362093647
C    6.0621513062   0.4493548682   1.4324913413
H   -3.6488848918   1.6733070395   1.5963419737
H   -1.0756625228   1.0951570136   1.2221133808
H   -5.0703704139  -0.4416387552   0.7508605085
H   -2.1995680608   0.6185562600   3.3759027257
H   -1.5244877280  -0.9397674038   2.9295471895
H   -3.7588912039  -1.7863113378   2.6783290826
H   -4.3774515614  -0.2054869387   3.1268074347
H   -3.0723194699   0.9593021043  -1.3078400377
H   -4.4167494227  -2.7111202677  -0.7820615772
H   -2.7663234536   3.6019460046   0.1991187379
H   -1.4511072344   2.6325967830  -0.4607672203
H   -2.6029329151   3.3986296063  -1.5425492310
H   -4.9255772963   2.5599210788  -1.7833596654
H   -5.5049518980   1.1700808548  -0.8805228329
H   -5.2473567308   2.7074375885  -0.0584669066
H   -0.2582667108  -2.9191567419  -1.7950279054
H   -2.5429480280  -3.7650227630  -2.0338485100
H    1.0550383633  -1.0029378188  -1.2439644978
H    3.7102589309  -0.7233914814   2.3655023582
H    1.5913993481   1.5047803243  -1.6810564568
H    6.0210773862   0.9847117721   2.3786889106
H    6.4848384474  -0.5395882334   1.5966451742
H    6.6951166754   0.9963806322   0.7411165402
*