! 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  -0.1312689584   0.4933773662   1.4402053250
F    4.8151358820  -0.3005125809  -1.8352837532
F   -4.1885823706  -3.7915175031   0.3652205482
N   -0.5373756231   2.3575446500  -0.5907828474
N    0.5665713353   2.9606579586  -1.0270606060
N   -0.6063868071   2.1510945637  -2.7515619218
C   -0.7806335531   2.1854915888   0.8266267035
C    1.4275487386   0.1393781954   0.4627382504
C   -1.4121207706  -0.8302576759   1.0700860836
C    0.2133925122   0.6154461040   3.2766922163
C    2.6776543724   0.5411380461   0.9367249395
C   -2.7738164504  -0.5365912314   0.9685142034
C    1.3661769961  -0.4269257308  -0.8128905555
C   -1.0265212589  -2.1673858251   0.9339228472
C    3.8271205252   0.3948955050   0.1737846600
C   -3.7191861852  -1.5244533965   0.7311492942
C    2.4996971843  -0.5811439414  -1.5964915831
C   -1.9515963704  -3.1732735499   0.6979231439
C   -1.2239577658   1.8701929828  -1.6253594594
C    3.7115101511  -0.1610277179  -1.0849050611
C   -3.2854978272  -2.8282049964   0.5983418190
C    0.4823052135   2.8161835465  -2.3270927347
H   -1.8426185603   2.3348757440   1.0276537301
H   -0.2599478610   2.9906773109   1.3455501017
H   -0.7033465536   0.8268344287   3.8311928412
H    0.6232875142  -0.3174656437   3.6683981667
H    0.9219534031   1.4132056485   3.5079917945
H    2.7746363638   0.9838210350   1.9209939334
H   -3.1290012320   0.4812597082   1.0757460749
H    0.4190603853  -0.7593152800  -1.2210681595
H    0.0186591096  -2.4450619599   1.0068133570
H    4.7920450264   0.7098516289   0.5495097545
H   -4.7711142573  -1.2828739239   0.6511279705
H    2.4402671080  -1.0172339617  -2.5853245378
H   -1.6408968324  -4.2045128934   0.5911600901
H   -2.1546448475   1.3345356055  -1.5174066937
H    1.2339454622   3.2120537265  -2.9924631946
*