! 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   -3.5783810971  -1.6469348285  -1.5830670438
F   -1.9885197681  -1.9468601017  -0.1618564163
F   -4.0141782640  -2.4275109351   0.3675732646
O    4.2964909350  -0.1051258175   1.2240755804
O   -1.3398288548   0.3607224956  -2.0235282278
N   -0.1184810955   0.6740944956  -0.1179731678
C    5.7028408484  -0.3040341239   1.0467060990
C   -2.4916269909   0.8422552294  -0.0046471092
C    1.1980746624   0.4475616975  -0.5394476390
C    3.4842108080   0.0557261494   0.1633459136
C   -3.4519820860  -0.1451540151   0.2299561099
C    2.1469667162   0.2964758982   0.4669764349
C   -1.2638557505   0.5885771248  -0.8328691973
C    6.3996003166   1.0124375547   0.7507079199
C    6.2043653834  -0.9367400246   2.3288284369
C    1.5879366092   0.3753365428  -1.8774758791
C    3.8796426018  -0.0237838902  -1.1711703001
C   -2.6936680441   2.1233875279   0.4914790862
C   -4.5946285841   0.1630272743   0.9553159494
C    2.9229888468   0.1398961089  -2.1619192089
C   -3.2596203736  -1.5398400766  -0.2881541867
C   -3.8438458745   2.4300809054   1.2041099970
C   -4.7923818934   1.4492252991   1.4369150818
H    5.8721861793  -1.0091414451   0.2258432849
H    1.8496035303   0.3521712263   1.5085455107
H   -0.2292222445   0.7985662756   0.8779431476
H    6.0322638068   1.4868735344  -0.1600106291
H    6.2668397827   1.7157447005   1.5749270309
H    7.4695382045   0.8463726321   0.6204339768
H    5.7062272725  -1.8866945932   2.5265013665
H    6.0483471307  -0.2795151982   3.1863686576
H    7.2734265966  -1.1345650031   2.2501373059
H    0.8837543996   0.5013460105  -2.6823345179
H    4.9052371511  -0.2083139440  -1.4572312837
H   -1.9536263100   2.8923568104   0.3092881858
H   -5.3406426227  -0.5928607978   1.1583307013
H    3.2320936494   0.0831511549  -3.1976329433
H   -3.9932876524   3.4351003811   1.5755943873
H   -5.6882588366   1.6766292177   1.9985992660
*