! 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  -3.2439770186   0.0377175113   0.1579686591
F    2.1761421063  -3.9593020326  -0.4938152324
O   -0.6065773017   1.2965768192   1.3231179728
N    1.7774165353   2.0084806028  -0.2563564355
N    2.7360857822   1.4258410081  -0.9797207679
N    3.5481915887   2.0918449300   0.9954321037
C   -1.8545406208   0.9962578379  -0.7240597009
C   -0.4815293488   0.9879457515  -0.0489614415
C    0.4126583562   2.0508109349  -0.7237258002
C   -3.9062524233   1.0226603064   1.6234765549
C   -2.7156200043  -1.6713981044   0.7395165480
C   -4.6266212874  -0.1415519418  -1.1115376348
C    0.2040781415  -0.3626405934  -0.1447036903
C    0.7739137893  -0.9729188890   0.9670010441
C    0.3304226528  -0.9941118641  -1.3791622447
C    1.4395213619  -2.1865812042   0.8582664731
C    0.9887939195  -2.2061210766  -1.5089657407
C    2.2728824958   2.3928940449   0.9219818161
C    1.5341979749  -2.7839997053  -0.3799717412
C    3.7778917861   1.5006414187  -0.1927612458
H   -2.1977818414   2.0350458384  -0.8251340928
H   -1.7777364665   0.6314086774  -1.7516523991
H    0.0029478841   3.0460339809  -0.5385268098
H    0.4385913001   1.9077644445  -1.8021802612
H   -4.1249659290   2.0579738528   1.3506986783
H   -3.2102343239   1.0423285707   2.4637110900
H   -4.8379854734   0.5857710363   1.9914266442
H   -2.2686494650  -2.2636152754  -0.0611252792
H   -3.5829446325  -2.2248754447   1.1090873295
H   -1.9912785027  -1.6234172313   1.5532315431
H   -4.3115812206  -0.7386040606  -1.9706089408
H   -4.9555970581   0.8276855167  -1.4940229040
H   -5.5024940826  -0.6326899631  -0.6809983194
H   -1.1308343287   2.0999126595   1.4111799332
H    0.7065520247  -0.5170602077   1.9439526754
H   -0.0829594025  -0.5442660042  -2.2731354710
H    1.8767917123  -2.6544108541   1.7309522450
H    1.0780589459  -2.6876625550  -2.4740280340
H    1.6858624721   2.8900278920   1.6769125791
H    4.7428642675   1.1195714963  -0.4903037029
*