! 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  -2.5128106036   0.4232747733   0.2446806704
F    0.6946814156  -5.2335706884  -0.8064752977
O    0.4726383452   0.5478989421   1.5246469229
N    1.8928872737   2.3138511823  -0.2292074732
N    1.4239921524   3.2598834438  -1.0490598730
N    2.3230370434   4.1901948272   0.7840023696
C   -0.8253453943   0.9178056123  -0.4831866371
C    0.4380391039   0.3159117491   0.1324743317
C    1.7271209257   0.9052248394  -0.4942104202
C   -2.7341031367   1.1401249941   1.9746250101
C   -2.7989757122  -1.4356045209   0.2942573085
C   -3.7799884849   1.2112014535  -0.9064502314
C    0.5018572165  -1.1844251742  -0.0972063167
C    0.4362507087  -1.6888790307  -1.3950194404
C    0.6471719469  -2.0845438985   0.9533691851
C    0.5008810394  -3.0502122783  -1.6459818349
C    0.7107502729  -3.4523874473   0.7224189139
C    2.4158879095   2.8839275350   0.8576439736
C    0.6345212770  -3.9111692116  -0.5752443403
C    1.7068816599   4.3599624535  -0.4002556911
H   -0.7785343888   2.0121118099  -0.4178644072
H   -0.8493030690   0.7123205156  -1.5571838981
H    1.7368985609   0.7656368093  -1.5734320482
H    2.5963411737   0.3878271151  -0.0874727051
H   -2.4650417575   2.1983040916   2.0131158733
H   -2.1360070691   0.6173627432   2.7224153663
H   -3.7776998719   1.0647461034   2.2885797627
H   -3.8409919009  -1.6453708612   0.5487193722
H   -2.1754587456  -1.9314559380   1.0386798610
H   -2.5963245478  -1.9079800298  -0.6686483032
H   -4.8005223336   1.0370910958  -0.5589564410
H   -3.7073961473   0.8063111750  -1.9183149879
H   -3.6405657425   2.2920255976  -0.9786299676
H    0.0721285725   1.4028118628   1.7129117569
H    0.3270143016  -1.0219488688  -2.2409202798
H    0.7022177841  -1.7357259007   1.9740400672
H    0.4468010846  -3.4308979057  -2.6572887558
H    0.8163928861  -4.1469172441   1.5455014658
H    2.8702945160   2.3203308033   1.6567838757
H    1.4628684361   5.3301549141  -0.8036976877
*
