! 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  -2.9393394441   0.2711439745  -0.2597928424
F    2.1291631141  -4.0653356932  -0.6328835981
O   -0.9813846843   0.4792872351   2.2492223734
N    1.7052503908   1.9913985479   0.2406167237
N    1.4183261081   2.8014905661  -0.7831214361
N    3.3825369388   1.7701871655  -1.1280803038
C   -1.3400541762   1.2702099258   0.0043348041
C   -0.3339667134   0.7266242647   1.0162776422
C    0.7909998579   1.7527786936   1.3278581078
C   -4.0899025904   0.3887252403   1.2295552651
C   -2.6306558303  -1.5408221414  -0.6679828657
C   -3.7934110406   1.0896758341  -1.7291623722
C    0.3022235803  -0.5760193543   0.5687518465
C    0.7004533752  -0.7595306703  -0.7539129343
C    0.5568777737  -1.5997916751   1.4780448554
C    1.3189424143  -1.9284949985  -1.1689845051
C    1.1704200720  -2.7797292069   1.0811635096
C    2.8681473534   1.3792982080   0.0119097930
C    1.5386013421  -2.9241152814  -0.2399716226
C    2.4493573235   2.6328499488  -1.5708982371
H   -1.6432124181   2.2768851930   0.3192530759
H   -0.8753878357   1.4241380122  -0.9711736260
H    1.3801192497   1.3880644375   2.1691846421
H    0.3493206690   2.7061197572   1.6208686825
H   -3.7189165695  -0.1715242200   2.0880412452
H   -5.0733327121  -0.0161960413   0.9784879891
H   -4.2396428686   1.4235165755   1.5462676243
H   -3.5794382751  -2.0371364135  -0.8875972714
H   -2.1605052683  -2.0811034284   0.1544502791
H   -1.9908867508  -1.6575685439  -1.5443079616
H   -4.7427088887   0.6020891066  -1.9612617760
H   -3.1749889633   1.0453047042  -2.6283463790
H   -4.0081456132   2.1427140804  -1.5335412736
H   -1.5091529390   1.2539583168   2.4754731912
H    0.5254443547   0.0062011588  -1.4985460893
H    0.2783125495  -1.4969757339   2.5169903184
H    1.6181991332  -2.0582495416  -2.2006560316
H    1.3563085860  -3.5724853180   1.7940321199
H    3.3057919439   0.6776240142   0.7045106993
H    2.5376090645   3.1670056452  -2.5042144998
*
