! 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   -3.5443190455  -1.6445604605  -1.8121459594
F   -2.0141685846  -0.1462189811  -1.9566692876
F   -1.7288049436  -1.8638811157  -0.6898240554
O    4.0203754111  -1.2942453336   0.3357931962
O   -1.2419817598   2.5562858612  -0.2954969228
N   -0.2517800336   0.6106683243   0.3681080227
C    5.4404363163  -1.3177436253   0.1544959605
C   -2.6209858166   0.8735614799   0.6283796340
C    1.0918980105   0.7886751287   0.0155486567
C    3.3032824514  -0.2040790705   0.0089656920
C   -3.2576799600  -0.2248371193   0.0440316638
C    1.9483433602  -0.2634721951   0.3245180065
C   -1.3054568405   1.4329748480   0.1642881117
C    6.1376223936  -0.5336910239   1.2516228273
C    5.8414911765  -2.7780035337   0.1571682912
C    1.5932085839   1.9289989400  -0.6147654449
C    3.8105974197   0.9312309945  -0.6212272093
C   -3.2514459219   1.5537699920   1.6635595949
C   -4.4928095538  -0.6430502541   0.5253503721
C    2.9436202242   1.9717127755  -0.9196226297
C   -2.6386397504  -0.9673584953  -1.1044400692
C   -4.4796240115   1.1288555276   2.1436819984
C   -5.0982545346   0.0267214004   1.5763596527
H    5.6909233087  -0.8936475031  -0.8236538243
H    1.5658606956  -1.1539141599   0.8114758233
H   -0.4475374995  -0.2477842496   0.8613125231
H    5.8325781261   0.5130843047   1.2793994290
H    5.9352682494  -0.9705146088   2.2313459705
H    7.2165185346  -0.5521368761   1.0926469900
H    5.6015947981  -3.2570168729   1.1082239520
H    6.9167886704  -2.8662713394   0.0010612955
H    5.3452859904  -3.3292816136  -0.6424842615
H    0.9621276901   2.7646411320  -0.8647178606
H    4.8542292184   1.0254880528  -0.8855893301
H   -2.7727946938   2.4182372104   2.1052161611
H   -5.0013887179  -1.4879437451   0.0821204056
H    3.3381965839   2.8534371826  -1.4079509262
H   -4.9527090193   1.6631718276   2.9565518417
H   -6.0589406372  -0.3099050017   1.9414913827
*