! 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  -2.4186192462   0.3046392405  -0.2216914668
F    0.6435831389  -5.2434296375   0.1662512919
O    0.2810806786   0.7927566122   1.6366366521
N    1.8863470464   2.3417494894  -0.3225121147
N    1.5913646840   3.1513091510   0.7009581467
N    1.9123774244   4.3454945017  -1.1658795444
C   -0.6475058465   0.8883908318  -0.5981646465
C    0.4874101154   0.3858927840   0.3036399051
C    1.8611581034   0.9038041488  -0.1824951761
C   -3.5171568862   1.2953076628  -1.3930064076
C   -2.9339743349   0.6648285109   1.5526082104
C   -2.6813422329  -1.5269690652  -0.5811611618
C    0.5525960795  -1.1313478512   0.2899932702
C    0.7260918401  -1.8090442153  -0.9160429559
C    0.4216101556  -1.8804379163   1.4545015742
C    0.7608713916  -3.1924204147  -0.9695063337
C    0.4489077456  -3.2690859922   1.4206832597
C    2.0617763169   3.0664868607  -1.4240979188
C    0.6167749303  -3.9006830943   0.2071646928
C    1.6205471657   4.3371205148   0.1449797241
H   -0.6764783124   1.9848664339  -0.5689024049
H   -0.4364345161   0.6407412308  -1.6439640167
H    2.1083261040   0.4918695634  -1.1586637611
H    2.6414060594   0.5958723680   0.5150040777
H   -3.4144723349   2.3706351303  -1.2323229702
H   -4.5715103151   1.0454999062  -1.2561189794
H   -3.2699053995   1.0976773974  -2.4383405372
H   -4.0000275432   0.4653978543   1.6831916130
H   -2.7628311531   1.7080302805   1.8236812885
H   -2.3937222145   0.0451696051   2.2682017582
H   -2.3597082390  -1.7932518471  -1.5893765704
H   -3.7441513374  -1.7706510703  -0.5044997441
H   -2.1487084684  -2.1750162283   0.1161194753
H    0.3899045114   1.7540079701   1.6753754135
H    0.8261899456  -1.2634199611  -1.8460666173
H    0.2848735666  -1.3938003077   2.4087626051
H    0.8937006392  -3.7078218239  -1.9114689494
H    0.3400365427  -3.8454342956   2.3300558520
H    2.3039074432   2.6286717301  -2.3792731628
H    1.4241996906   5.2318144026   0.7142888678
*
