! 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    0.4969064046   2.3250311057   0.5354240978
F    1.5776109523   2.1018553690   2.4191471625
F   -1.3947117010   1.7637519493  -2.6616663626
F   -3.6218026308   1.7322482033   1.4369657002
F   -2.8451772785   3.0436025764  -0.7858703646
O    0.5424958873  -0.5974239529   1.5139819911
N    0.9420545410  -1.8479339402  -0.3275777805
N    4.3421632614   0.6534284204  -0.5400463685
N    3.7961059077   1.7278095556   0.0104704211
C   -1.4418917744  -2.3189386332  -0.0550813282
C   -0.1158109745  -2.7592704446  -0.1280161696
C    2.3867974996  -0.0165134337   0.1675719582
C   -1.8034317553  -0.8991453105  -0.2494387132
C    2.6172476382   1.3445040692   0.4532375706
C    1.2113127738  -0.8266528047   0.5244960496
C    3.5395882929  -0.4164581189  -0.4753789478
C   -2.4416469169  -3.2596368200   0.1838986066
C    0.1800668532  -4.1113760321  -0.0050042735
C   -2.5609075468  -0.2397500963   0.7130836876
C   -1.4072369828  -0.2224004600  -1.3999125539
C   -2.1448347161  -4.6079254394   0.3080860724
C    1.7373393295   2.3556981005   1.0923875156
C   -0.8303271250  -5.0371524743   0.2008001312
C    5.6954558554   0.6989697177  -1.0429469944
C   -1.7617679122   1.0986444762  -1.5638456490
C   -2.9039068905   1.0803562606   0.5197935573
C   -2.5098214466   1.7660567079  -0.6129848656
H    1.5466854766  -2.0014113927  -1.1200701084
H    3.8463961129  -1.3767608358  -0.8592587082
H   -3.4718081797  -2.9312966774   0.2450968654
H    1.2125309502  -4.4335847945  -0.0572801133
H   -2.8649216709  -0.7395443363   1.6233358061
H   -0.8357494232  -0.7148715585  -2.1750825109
H    2.1452537746   3.3619698453   0.9822442495
H   -2.9405930065  -5.3204672099   0.4803002332
H   -0.5875778479  -6.0876387480   0.2914251114
H    6.4078578038   0.4763410188  -0.2500991188
H    5.8107155961  -0.0280067455  -1.8420334359
H    5.8945155233   1.6915827555  -1.4359546234
*