! 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 "WATER"
end
*xyz 0 1
Si  -2.5064758221   0.3949531235   0.2400286050
F    0.6382008633  -5.2241213878  -0.7803753734
O    0.5052500569   0.5672613439   1.5284797566
N    1.9005747041   2.3270796445  -0.2425887359
N    1.4213226656   3.2754571304  -1.0538415095
N    2.3364707337   4.1999935715   0.7748571085
C   -0.8209967214   0.9321111609  -0.4637301137
C    0.4502589232   0.3313460584   0.1382697467
C    1.7311737844   0.9182485418  -0.5059170521
C   -2.7022408978   0.9476765713   2.0316101998
C   -2.8102463393  -1.4574623345   0.1062040412
C   -3.7792630143   1.2994150413  -0.8158631763
C    0.5056726213  -1.1698893087  -0.0870450505
C    0.4309829643  -1.6783252599  -1.3825894059
C    0.6397620313  -2.0672422107   0.9670867041
C    0.4752566152  -3.0412469190  -1.6280024950
C    0.6837642448  -3.4369993316   0.7413275213
C    2.4332163989   2.8937339339   0.8406343144
C    0.5983352406  -3.9001232735  -0.5542077591
C    1.7100371594   4.3726417092  -0.4029152418
H   -0.7857745371   2.0248299891  -0.3726523082
H   -0.8404541259   0.7504431587  -1.5422825060
H    1.7275170734   0.7785035129  -1.5851506646
H    2.6057903678   0.4015864416  -0.1098241743
H   -2.0818403556   0.3699693288   2.7178642684
H   -3.7389634553   0.8282465727   2.3542564373
H   -2.4472622472   2.0022004212   2.1598368983
H   -2.1628785961  -2.0365197496   0.7654722009
H   -2.6503798170  -1.8207528400  -0.9105438810
H   -3.8440657785  -1.6869755147   0.3761043755
H   -4.7965418593   1.0990176986  -0.4729288945
H   -3.7224068606   0.9928676845  -1.8625370758
H   -3.6327740944   2.3812373368  -0.7852732787
H    0.0876754117   1.4125561815   1.7230290362
H    0.3272809705  -1.0131595083  -2.2305557898
H    0.7000799215  -1.7161493468   1.9865813559
H    0.4127267024  -3.4241438871  -2.6379574472
H    0.7808887104  -4.1287466103   1.5677295298
H    2.8958429748   2.3272827813   1.6329206884
H    1.4584070267   5.3437821430  -0.7993519378
*
