! 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  -3.2409071595  -0.0045318403   0.0296427069
F    2.3233381653  -3.9118469187   0.1518419057
O   -0.7487335154   1.5338557818   1.0320100661
N    1.7422203880   2.0002322216  -0.5263163391
N    1.9662795185   2.4115065935   0.7275664973
N    3.8386288623   1.5580163358  -0.1560450863
C   -1.8244392332   0.8130123079  -0.9423385093
C   -0.4825419279   0.9689011950  -0.2327209708
C    0.4001229784   1.9344950828  -1.0543542037
C   -2.7044093545  -1.5570738581   0.9489458089
C   -4.5249708379  -0.4760348615  -1.2702733225
C   -4.0425556335   1.2051342408   1.2297110089
C    0.2519028246  -0.3630093913  -0.1094254587
C    0.5248342975  -1.1207971073  -1.2474326984
C    0.7103347915  -0.8326654365   1.1156228140
C    1.2199050561  -2.3172316157  -1.1720445118
C    1.4087323671  -2.0288167971   1.2143830138
C    2.8586765859   1.4765951058  -1.0262134137
C    1.6497109193  -2.7517198509   0.0662127126
C    3.2335754845   2.1287522019   0.8990032261
H   -2.1826774169   1.8021149631  -1.2533844957
H   -1.6874180722   0.2523441672  -1.8705660563
H   -0.0399193627   2.9324121464  -1.0520466018
H    0.4728418296   1.6078278270  -2.0897947125
H   -3.5793414524  -2.0754811393   1.3493607677
H   -2.0454256328  -1.3332045815   1.7882572292
H   -2.1786100171  -2.2576718945   0.2979071952
H   -5.4172378329  -0.9099765496  -0.8138531236
H   -4.1324939131  -1.2083406803  -1.9791291473
H   -4.8470571294   0.3937256310  -1.8474942402
H   -4.9241564636   0.7593262904   1.6960654026
H   -4.3727243454   2.1111754526   0.7165926663
H   -3.3665288444   1.5081616929   2.0292260814
H    0.0771068320   1.8913297457   1.3943177445
H    0.1966223846  -0.7854220028  -2.2237868456
H    0.5164385451  -0.2808763508   2.0244017910
H    1.4244165212  -2.8974014459  -2.0621576437
H    1.7564447292  -2.3883444419   2.1740293518
H    2.9187910731   1.0700943768  -2.0231243627
H    3.7419982379   2.3531319658   1.8233334665
*