! 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   0.4265892588   0.7048324351   0.7036807827
F    5.8486952700  -1.5407712013  -0.5056089058
F   -3.9621102312  -3.1491566979  -0.6208149941
N   -1.3293460433   2.4381590880  -0.5300863119
N   -1.9616454262   2.9872302658   0.5081933971
N   -3.4377269863   2.3601958658  -1.0606006448
C    0.0897710189   2.1579172494  -0.4923057745
C    2.1147736048  -0.0004392210   0.2929689757
C   -0.9148747780  -0.5514485009   0.3335093741
C    0.3464289942   1.2546729761   2.4903292443
C    2.4662169936  -1.2905392981   0.7003750509
C   -0.7855743323  -1.4580960684  -0.7210697133
C    3.0727675418   0.7490951168  -0.3928746271
C   -2.1142265273  -0.5496730966   1.0493464176
C    3.7203363388  -1.8206790738   0.4369612368
C   -1.8042054099  -2.3398218149  -1.0515783366
C    4.3351487382   0.2416510858  -0.6674141209
C   -3.1496725155  -1.4178508947   0.7349918054
C   -2.2176601161   2.0562921954  -1.4434245481
C    4.6324987888  -1.0382511852  -0.2446224626
C   -2.9701528621  -2.2993066751  -0.3122818786
C   -3.2177079913   2.9208141132   0.1390559156
H    0.6253379023   3.0706189280  -0.2285927136
H    0.3962144506   1.8902784253  -1.5045894302
H    1.1404632806   1.9710425587   2.7074830628
H   -0.6016301240   1.7353917647   2.7335901264
H    0.4757226625   0.4052366369   3.1641870973
H    1.7533843674  -1.9093266720   1.2327110275
H    0.1270226669  -1.4909573840  -1.3044422992
H    2.8498840828   1.7541059668  -0.7304117855
H   -2.2602703978   0.1360210708   1.8749489285
H    3.9822462413  -2.8210645811   0.7551481680
H   -1.6927705193  -3.0425021474  -1.8667243835
H    5.0696522467   0.8306526608  -1.2004515879
H   -4.0749176037  -1.4104899873   1.2957911585
H   -1.9374048836   1.5768493525  -2.3677722170
H   -4.0078880567   3.3046255558   0.7652513460
*
