! 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    5.0250939942  -1.2550698778  -1.3292241065
F    3.6424734995  -0.8630380245  -2.9717564938
F   -4.6427956042   2.1863190331  -0.2109311043
F   -1.2954941732   2.1718959117   3.0356099545
F   -3.2991127537   3.4408333706   1.7578142335
O    2.2307838896  -2.2195076536  -0.6045707074
N    0.2557739688  -1.1074944940  -0.3303947802
N    2.8375116762   2.1917486752  -0.0048452114
N    3.7963117658   1.7476490957  -0.8039435956
C   -1.9480032909  -1.7963102475   0.3222623418
C   -0.6728981740  -2.1398903259  -0.1614871837
C    2.2764050402   0.1280825754  -0.4558910780
C   -2.2896566675  -0.4041634650   0.6980934173
C    3.4852053740   0.4994498459  -1.0798092836
C    1.6069024577  -1.1829335590  -0.4797452967
C    1.9034403597   1.2644226285   0.2332274671
C   -2.9203598231  -2.7828447855   0.4432752760
C   -0.4033649605  -3.4689707665  -0.4882335362
C   -1.5992118447   0.2450977798   1.7217395594
C   -3.3259410787   0.2535980998   0.0412682854
C   -2.6476956278  -4.1032958441   0.1246877971
C    4.3727481045  -0.2637632818  -1.9933587005
C   -1.3843739224  -4.4367793196  -0.3355542199
C    2.9191457141   3.5178246428   0.5616351025
C   -3.6571138240   1.5405625913   0.4104612796
C   -1.9486120769   1.5336589317   2.0643556890
C   -2.9757095505   2.1964646556   1.4178682459
H   -0.1365722574  -0.1788149789  -0.3571985390
H    1.0670238579   1.4625827950   0.8848182583
H   -3.9000327371  -2.5095120384   0.8150720592
H    0.5607201339  -3.7537761323  -0.8759069926
H   -0.8079212926  -0.2525908521   2.2682483635
H   -3.8690572873  -0.2249547259  -0.7631839541
H    5.1156900704   0.3856549342  -2.4586509304
H   -3.4129406931  -4.8593760608   0.2371630052
H   -1.1518320411  -5.4619446494  -0.5928455904
H    3.2724531593   4.2109913776  -0.1952845806
H    1.9332337993   3.8293218710   0.8920366928
H    3.6007111170   3.5305421706   1.4094246270
*