! 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   -3.9873375286  -2.4030937982  -0.3095044008
F   -1.9338369800  -1.8323056844  -0.5720329580
F   -2.7458694378  -2.0666457500   1.4075513310
O    4.1783620418   0.0127955193   0.8520879801
O   -0.5541754037   0.0466616237   1.4216458255
N   -0.2529072348   0.8898647687  -0.6781832580
C    5.5813365709  -0.2101043105   0.6796295453
C   -2.4535301993   0.8345684477   0.2417415852
C    1.1224240162   0.7430943671  -0.8949574978
C    3.3900489243   0.3013028405  -0.1996194056
C   -3.4211275322  -0.1710223683   0.1808133973
C    2.0310024715   0.4231861935   0.1047788318
C   -0.9897814869   0.5332777985   0.3970703446
C    6.2143814268   0.0089668973   2.0380587498
C    5.8426281317  -1.6078674102   0.1480568265
C    1.5703715761   0.9477128541  -2.2036128120
C    3.8388796793   0.4919905961  -1.5033036531
C   -2.8494701503   2.1653987549   0.2340986438
C   -4.7656756605   0.1683824744   0.1195888467
C    2.9144196251   0.8192416345  -2.4877061763
C   -3.0229974957  -1.6176301446   0.1786149830
C   -4.1950729948   2.4996303313   0.1843985618
C   -5.1518408746   1.5007852661   0.1286027479
H    5.9879407125   0.5345109401  -0.0131249480
H    1.7175229384   0.2718318234   1.1257968520
H   -0.7731965456   1.2191543499  -1.4783855285
H    5.8378173561  -0.7027635654   2.7750414866
H    7.2942669228  -0.1224286193   1.9683215510
H    6.0272947405   1.0184894939   2.4059839689
H    6.9143935660  -1.7612188584   0.0162508830
H    5.3692488590  -1.7863708424  -0.8181697278
H    5.4791882057  -2.3638427648   0.8466543780
H    0.8683542430   1.1986397178  -2.9894288746
H    4.8806383626   0.3973088564  -1.7743397081
H   -2.1033144567   2.9483425736   0.2826109436
H   -5.5274628908  -0.5966019195   0.0609790816
H    3.2588087816   0.9715089445  -3.5023023295
H   -4.4910323653   3.5400653803   0.1908855299
H   -6.2028810757   1.7519222760   0.0861995236
*