! 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
Si  -3.4453404571   0.6126016623  -0.0658608660
F    3.2938501020  -3.9524318931   0.3505717568
O   -0.7885618386   0.7724735705   1.2366020490
N    1.2745885190   1.7095808869  -0.6575695311
N    1.4702252656   2.3201431134   0.5149047664
N    3.4083636071   2.0884256452  -0.5693731415
C   -1.8853440749  -0.3870089122  -0.5086525302
C   -0.5454795610   0.1671364449  -0.0121590474
C   -0.0334492973   1.2162835648  -1.0208376113
C   -4.7947883083  -0.0284040415  -1.2208513538
C   -3.2801301753   2.4700431018  -0.3354871400
C   -3.9858460667   0.2565612128   1.7022556569
C    0.4990123062  -0.9401702070   0.1054541637
C    1.1551584749  -1.2048902539   1.3017217895
C    0.8216013184  -1.7155106689  -1.0085229872
C    2.1033644277  -2.2169650884   1.3948494397
C    1.7656039298  -2.7263352430  -0.9371517244
C    2.4391179351   1.5695685138  -1.2882637424
C    2.3902797771  -2.9618626142   0.2717601904
C    2.7642313127   2.5292266637   0.5244173969
H   -1.8517487999  -0.5441369329  -1.5908921969
H   -2.0443731961  -1.3840922486  -0.0836270726
H   -0.7239573037   2.0581758180  -1.0823020300
H    0.0480596578   0.7872186559  -2.0175883386
H   -4.9224923042  -1.1102270419  -1.1341575095
H   -4.5708159847   0.1877595309  -2.2681771340
H   -5.7620262082   0.4279900128  -0.9968415894
H   -3.0346601291   2.7199451236  -1.3700652079
H   -2.5248130622   2.9210828184   0.3094151715
H   -4.2303353028   2.9611819342  -0.1093694038
H   -4.9535258960   0.7180652313   1.9140502419
H   -3.2748983753   0.6303333521   2.4394745702
H   -4.0989179729  -0.8170767500   1.8712898534
H   -0.0700561743   1.3935133271   1.4378787066
H    0.9286542681  -0.6333764301   2.1910248836
H    0.3270750583  -1.5469674751  -1.9574787156
H    2.6036727138  -2.4198798268   2.3329292005
H    2.0037387001  -3.3253457845  -1.8064879229
H    2.5314053216   1.0964497150  -2.2532101716
H    3.2560076078   3.0197742027   1.3498715533
*
