! 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    2.8365746604  -0.9621353778  -2.5512438546
F    1.4039895002   0.6716355034  -2.7193039444
F   -1.5450806248   2.7654867063  -1.1095242448
F   -3.5510841905   1.3479607404   2.8556868325
F   -2.8376736922   3.3390422327   1.1830268802
O    0.5866999843  -0.7707804858   1.6540846010
N    0.7399135663  -1.5293774922  -0.4701202677
N    3.7316234500   1.7306472348   0.7337809759
N    3.7642582534   1.5984153123  -0.5839745649
C   -1.6396040767  -1.9743655007  -0.0834346707
C   -0.3540114674  -2.4125081306  -0.4244054368
C    2.2153002535   0.2176047175   0.2909123841
C   -1.9399081330  -0.5645807477   0.2425957880
C    2.8594734276   0.6887856349  -0.8788967142
C    1.1219872023  -0.7309636640   0.5599985669
C    2.8225094736   0.9350715005   1.3020869761
C   -2.6757347536  -2.9065688124  -0.0735013979
C   -0.1417700922  -3.7421415301  -0.7732615827
C   -2.6136068994  -0.2660966615   1.4232141589
C   -1.5785603614   0.4633937392  -0.6245177407
C   -2.4627928559  -4.2302299203  -0.4231508552
C    2.6702758075   0.3786107472  -2.3168474638
C   -1.1907436424  -4.6464132682  -0.7858940308
C    4.5979036257   2.6775273643   1.4008498157
C   -1.8819748291   1.7658304937  -0.2924310034
C   -2.9108194337   1.0447902994   1.7249830784
C   -2.5487374155   2.0750410931   0.8785844494
H    1.3786327611  -1.6598754965  -1.2383278829
H    2.6605706248   0.9206605212   2.3679191632
H   -3.6753657605  -2.5774135938   0.1816973359
H    0.8589053990  -4.0702058545  -1.0268909324
H   -2.8885904130  -1.0453288346   2.1219541420
H   -1.0656254453   0.2617962669  -1.5546811375
H    3.3770716634   0.9228883869  -2.9428043671
H   -3.2907073531  -4.9265434434  -0.4278299980
H   -1.0086393431  -5.6755871365  -1.0656257197
H    5.2057002853   2.1725755006   2.1480765337
H    5.2478862933   3.1303104253   0.6590588846
H    4.0087720323   3.4555130477   1.8819205506
*