! 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  -0.6143831381   0.3373673817   0.8200345985
F    4.8254839045  -0.1896255190  -1.6137259660
F   -3.7998208039  -4.7251476865   0.5092325908
N   -0.4793889243   2.7302277578  -0.5502252790
N    0.2471162786   2.7054474400  -1.6670209314
N    0.9455497793   4.3593413226  -0.3217934940
C   -1.4436610587   1.6902049876  -0.2484601468
C    1.1066001876   0.0868067677   0.1249807473
C   -1.6156771344  -1.2405955590   0.6919767193
C   -0.5148879488   0.9428544684   2.5905538658
C    1.3432288569  -0.7897698236  -0.9356648099
C   -1.0733211674  -2.4561780178   1.1193856617
C    2.1746655254   0.8607693155   0.5831641092
C   -2.9229653802  -1.2467030154   0.2016870631
C    2.5933433576  -0.8938747963  -1.5273761205
C   -1.7990004830  -3.6363900335   1.0626417060
C    3.4320509954   0.7816023859   0.0027667076
C   -3.6699697395  -2.4148670597   0.1355899993
C   -0.0463933152   3.7082786163   0.2431895394
C    3.6133994332  -0.0982302566  -1.0452952198
C   -3.0888205249  -3.5892240293   0.5694927203
C    1.0813372276   3.6980059898  -1.4825624007
H   -1.8065368008   1.2957755882  -1.1967943303
H   -2.2980590683   2.1423686232   0.2570513331
H   -1.5132117902   1.1319210917   2.9888595851
H   -0.0388068023   0.1992644899   3.2323388163
H    0.0551218160   1.8684178635   2.6903865560
H    0.5424145582  -1.4094137350  -1.3213159884
H   -0.0609636861  -2.4985901423   1.5039946901
H    2.0412025896   1.5508998791   1.4075175059
H   -3.3881492277  -0.3306986386  -0.1417798408
H    2.7700085564  -1.5771736552  -2.3476834825
H   -1.3702541710  -4.5728466226   1.3943104621
H    4.2524335855   1.3894285139   0.3607158225
H   -4.6818919159  -2.4094247454  -0.2473305541
H   -0.4900903104   3.9264522081   1.2020350018
H    1.8165641767   3.9591452254  -2.2273650171
*
