! 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    4.8422713698  -1.8837997876  -0.5095794094
F   -1.7428261347   2.2525939914  -0.4005850946
F   -3.3808072416   2.3660681694  -1.8402050738
O   -1.5364533960  -2.5592256948   0.4323025152
N   -0.4892813902  -0.5666445239   0.0895030908
N   -5.0110345370  -0.3088485051   0.5384950164
N   -4.6134970636   0.7201288733  -0.1942024727
C    4.0643130817   0.9288630101   0.2208653864
C    3.0158357310   2.0656699882   0.3039398845
C    1.6521589539   1.4335831801   0.6294317136
C    3.1832591156  -0.2780525513  -0.0167715914
C    1.8367985889   0.0088450299   0.1673777181
C    5.0366249397   1.1915975413  -0.9288751212
C    4.8480075644   0.7780076571   1.5275914378
C    1.2811614979   1.5073145274   2.1107329176
C    0.8524607343  -0.9608452174  -0.0317635986
C    3.5447813371  -1.5663315688  -0.3568139939
C    1.2469783709  -2.2469175352  -0.3973746979
C    2.5927402136  -2.5458761073  -0.5500769650
C   -1.5825122655  -1.3549049372   0.2585279568
C   -2.8797199544  -0.6543122845   0.2227092334
C   -3.3277645231   0.5347905435  -0.3963364748
C   -4.0194197430  -1.1631604647   0.8060624796
C   -2.5551338205   1.5062176340  -1.2190079453
C   -6.3868847604  -0.4154258258   0.9552259680
H    2.9507952882   2.5627962517  -0.6662643597
H    3.3010108971   2.8315180528   1.0279697832
H    0.8743657335   1.9495797568   0.0575243293
H    5.8308999495   0.4480442005  -0.9835881235
H    4.5232502232   1.2051666172  -1.8916746512
H    5.5145758175   2.1649605730  -0.8003809357
H    5.4345023803   1.6768063235   1.7287867869
H    4.1935066061   0.6155586231   2.3845383132
H    5.5434861187  -0.0611091353   1.4827816918
H    1.1754749134   2.5452774531   2.4283164738
H    2.0403650961   1.0423728910   2.7398355665
H    0.3363777376   1.0062127552   2.3282395043
H    0.5243367519  -3.0266584539  -0.5715697508
H    2.8931508805  -3.5478474342  -0.8256347240
H   -0.6322980208   0.4275875236   0.1579895968
H   -4.1670502848  -2.0602397761   1.3843271309
H   -1.9151952963   1.0286140446  -1.9644257555
H   -6.4654241888  -0.3620015624   2.0394739084
H   -6.9384945800   0.4117383916   0.5204403160
H   -6.8195640764  -1.3508783296   0.6059348198
*