! 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   -3.5326571279  -0.3720011336   2.6638689358
F   -3.3637995651  -1.9038876895   1.1707788151
F   -1.6170346904  -0.8159379174   1.7992960505
O    4.7757842934   0.3364734073  -0.1894846252
O   -1.4188564316  -1.7239754449  -1.1725296797
N    0.0327424415  -0.0083072802  -0.7679284878
C    4.6874900338   1.6221454891   0.4333022500
C   -2.3148901040   0.4089282773  -0.6611866906
C    1.2900122088  -0.6144780141  -0.8859403827
C    3.6700952795  -0.3408113996  -0.5468681428
C   -3.1619416116   0.3305358801   0.4466686322
C    2.3775144349   0.1625101433  -0.4737830419
C   -1.1927657545  -0.5656162810  -0.8837576829
C    4.2893892596   1.4900937329   1.8927013329
C    6.0512980793   2.2609339212   0.2736295326
C    1.4924618742  -1.8998258929  -1.3774752338
C    3.8771370107  -1.6335397394  -1.0345052494
C   -2.5532711005   1.3662778352  -1.6380681687
C   -4.2336125101   1.2054046661   0.5588176293
C    2.7937095788  -2.3851793765  -1.4416724464
C   -2.9220178508  -0.6905829061   1.5192784887
C   -3.6335859228   2.2298718041  -1.5282718858
C   -4.4733745009   2.1475945603  -0.4307131296
H    3.9548485598   2.2382186468  -0.0997888110
H    2.1853593026   1.1589875772  -0.0970786668
H    0.0492217268   0.9547302933  -0.4647869359
H    3.3166000101   1.0150578462   2.0245465233
H    5.0272816897   0.9055084145   2.4452009261
H    4.2318192934   2.4775201773   2.3522549716
H    6.3237173146   2.3610249425  -0.7776809722
H    6.8258784769   1.6800670825   0.7776463510
H    6.0457134972   3.2596476157   0.7102579184
H    0.6746447496  -2.5186676441  -1.7056256222
H    4.8822074691  -2.0315251704  -1.0921735034
H   -1.9001610377   1.4297210131  -2.4992409353
H   -4.8938069723   1.1651798433   1.4140590042
H    2.9587822556  -3.3847969401  -1.8226682499
H   -3.8145109160   2.9655013602  -2.3004780639
H   -5.3153747664   2.8195187201  -0.3348819972
*