! 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  -2.4565326380   0.3865649999  -0.2289597311
F    0.9018510707  -5.2876718401   0.3042841363
O    0.1494854421   0.7598589518   1.5559732480
N    1.8202800448   2.3138012239  -0.3464489993
N    1.4176757406   3.1315161916   0.6333712049
N    1.8667862790   4.3041311326  -1.2209803724
C   -0.6614256604   0.7725479271  -0.7224952929
C    0.4406779903   0.3295161716   0.2446255754
C    1.8226462469   0.8774633232  -0.1814749430
C   -3.4903608613   0.8277091395  -1.7441215063
C   -3.0218474695   1.4710104202   1.2044494656
C   -2.7445342516  -1.4256552393   0.1942079225
C    0.5688728107  -1.1849274068   0.2785425823
C    0.7407124692  -1.8984427863  -0.9063432064
C    0.5325707924  -1.8945881893   1.4742295190
C    0.8571876207  -3.2790627062  -0.9100866012
C    0.6416145853  -3.2788912079   1.4912047198
C    2.0674523648   3.0251514851  -1.4431139402
C    0.7992528399  -3.9478496064   0.2963941808
C    1.4629821759   4.3084129492   0.0598481853
H   -0.6242394598   1.8608684602  -0.8567994809
H   -0.4800838232   0.3621045277  -1.7199809493
H    2.1293132506   0.4536472589  -1.1359947870
H    2.5729983067   0.6016172737   0.5612911698
H   -3.2355675860   0.2052839924  -2.6043974948
H   -3.3420549263   1.8683126617  -2.0409211132
H   -4.5569400747   0.6949570354  -1.5505831077
H   -2.7810129832   2.5218241156   1.0298737229
H   -2.5616332179   1.1813102994   2.1493125884
H   -4.1048719938   1.4049362623   1.3332607981
H   -3.8159263827  -1.6206748487   0.2863231928
H   -2.2784507067  -1.7126213195   1.1371129634
H   -2.3571476030  -2.0930081314  -0.5777587808
H    0.2212005162   1.7255687582   1.5760526217
H    0.7813390445  -1.3845843784  -1.8584640037
H    0.4059429323  -1.3821760085   2.4161538242
H    0.9876877126  -3.8215394287  -1.8369109189
H    0.6013883064  -3.8233854587   2.4253832206
H    2.3971190696   2.5780970452  -2.3673507618
H    1.1973917651   5.2063490655   0.5946657557
*
