! 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  -2.4360587630   0.4011561453   0.0561334759
F    0.5665110767  -5.2524824046  -0.5597686512
O    0.4160504310   0.5534867542   1.6708955404
N    1.9015882780   2.3185718562  -0.1939466573
N    1.6833349462   2.9902879436   0.9425425533
N    1.9488105154   4.4164045245  -0.7624353712
C   -0.6853880116   0.9442684799  -0.4508269145
C    0.5055520029   0.3172359751   0.2847019994
C    1.8480144377   0.8753382909  -0.2438826554
C   -2.7951352124   0.7678605922   1.8677877191
C   -2.7765010521  -1.4172903033  -0.3034714224
C   -3.5948164500   1.4402641801  -1.0111833241
C    0.5413599576  -1.1868289507   0.0767201140
C    0.5716744271  -1.7104334401  -1.2150149203
C    0.5339165268  -2.0743786634   1.1476052458
C    0.5832957939  -3.0769458577  -1.4413358328
C    0.5395823168  -3.4479880815   0.9410293058
C    2.0441486251   3.1807358414  -1.1966885647
C    0.5621541489  -3.9249541555  -0.3517950207
C    1.7215536033   4.2392940841   0.5491163203
H   -0.6627466475   2.0339585120  -0.3224536349
H   -0.5886265046   0.7870510281  -1.5302821213
H    2.0018489711   0.5944727908  -1.2833286237
H    2.6744879563   0.4633824604   0.3366246593
H   -3.8538947047   0.6112927687   2.0857090931
H   -2.5608127182   1.8038851116   2.1220768384
H   -2.2226116407   0.1271788332   2.5376004513
H   -2.5391422201  -1.6742566092  -1.3372633154
H   -3.8361481281  -1.6366443653  -0.1488916811
H   -2.2070918650  -2.0887496562   0.3403974689
H   -3.4406180657   2.5095492631  -0.8503197923
H   -4.6419383034   1.2252319686  -0.7868691203
H   -3.4435677172   1.2460331813  -2.0753868662
H    0.5466817064   1.5013738140   1.8187167142
H    0.5758751385  -1.0537516058  -2.0761159245
H    0.5108311903  -1.7091346315   2.1635320078
H    0.6046839058  -3.4718613070  -2.4485048849
H    0.5252382539  -4.1322878178   1.7793471739
H    2.2215778953   2.8702157395  -2.2138664488
H    1.5822172970   5.0536457188   1.2425614269
*
