! 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  -3.1257350317  -0.1150693414   0.0095755341
F    1.9654474961  -4.0469299018   0.0368972462
O   -0.4896369857   1.5551929258   1.1812749360
N    1.8366561672   2.0588047626  -0.4641396347
N    2.1617206032   2.9548902968   0.4720644471
N    3.8924076054   1.5850489218   0.0662716395
C   -1.8098944851   1.0351624239  -0.7710772507
C   -0.4184326656   1.0509839579  -0.1322843126
C    0.4982441193   1.9529222813  -0.9908491242
C   -4.6235035937   0.9464269022   0.4350751065
C   -2.5769944197  -1.0190439503   1.5677661400
C   -3.6216821850  -1.4001398950  -1.2776729225
C    0.2013690163  -0.3308242805  -0.0590550732
C    0.1179696307  -1.1910439008  -1.1512364769
C    0.9145520172  -0.7516209753   1.0592518024
C    0.7076969241  -2.4457144601  -1.1306102432
C    1.5108057650  -2.0038889476   1.1004097980
C    2.8703127920   1.2446019313  -0.6809606407
C    1.3934834873  -2.8314703225   0.0032634810
C    3.3970662039   2.6320604626   0.7527036472
H   -2.2005869388   2.0597386689  -0.7516761364
H   -1.7387663174   0.7918736539  -1.8353362796
H    0.0822963006   2.9589423939  -1.0601379340
H    0.5634033330   1.5608514015  -2.0049485411
H   -5.4393735616   0.3408166304   0.8356528325
H   -5.0091089589   1.4738790022  -0.4399509534
H   -4.3778750277   1.6998663183   1.1868016492
H   -1.8103805069  -1.7669647963   1.3644681440
H   -3.4351872543  -1.5391989942   2.0008360815
H   -2.1861552929  -0.3421965446   2.3270962935
H   -3.9495611285  -0.9342703512  -2.2093708285
H   -4.4423666651  -2.0260850533  -0.9205121031
H   -2.7897236302  -2.0647868538  -1.5209572175
H   -0.8144705341   2.4615188432   1.1404890630
H   -0.4105944342  -0.8948478977  -2.0479506955
H    1.0107844023  -0.1091574554   1.9221211114
H    0.6329379204  -3.1072152186  -1.9834105469
H    2.0584475000  -2.3265252523   1.9760311186
H    2.8445143721   0.4408470680  -1.3998700246
H    3.9729188178   3.1838804856   1.4790944268
*