! 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  -0.4869272237   0.3627671156   0.4490593339
F    5.3208035767  -0.5168499949  -0.7366167535
F   -3.3409273325  -4.9054595996   0.5422846408
N   -0.8823242010   2.7841472233  -0.9155128980
N   -1.4682741881   3.6832713242  -0.1249141011
N    0.2475066429   4.6168008020  -1.2287231749
C   -1.2989157600   1.3980155659  -0.9310802598
C    1.3309923511   0.1247478684   0.0551763221
C   -1.3637543957  -1.2961060124   0.4598655681
C   -0.6944530002   1.2273374971   2.0961722144
C    1.8066583800   0.0652730349  -1.2571699733
C   -2.6722925143  -1.3917577312   0.9432137804
C    2.2553562016  -0.0433860287   1.0898524120
C   -0.7509482032  -2.4628111926   0.0004246514
C    3.1484363444  -0.1498754252  -1.5374890870
C   -3.3494208555  -2.6013721080   0.9742988768
C    3.6012635808  -0.2625676702   0.8358950291
C   -1.4079488054  -3.6856319596   0.0211412759
C    0.1383844787   3.3485698954  -1.5552524050
C    4.0206607176  -0.3111113276  -0.4791316980
C   -2.6974716727  -3.7285091634   0.5116927246
C   -0.7583736849   4.7608052514  -0.3520941544
H   -1.0828085030   0.9848197574  -1.9172879911
H   -2.3845652094   1.3698408561  -0.8298653848
H   -0.3359479818   0.6042042731   2.9170693180
H   -0.1418290741   2.1670117226   2.1290543522
H   -1.7424046941   1.4557588753   2.2959103506
H    1.1298873586   0.1779951670  -2.0958429050
H   -3.1870485827  -0.5115265420   1.3110859794
H    1.9344349582  -0.0045024517   2.1239489961
H    0.2630232648  -2.4335938305  -0.3798877765
H    3.5061279986  -0.1901545426  -2.5578718516
H   -4.3613138524  -2.6665298014   1.3519904267
H    4.3087890740  -0.3930692987   1.6442172218
H   -0.9240742256  -4.5858925958  -0.3341683370
H    0.7602163655   2.8150694735  -2.2567729942
H   -0.9878367320   5.6950361768   0.1359837285
*
