! 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  -0.6533328960   0.3744168537   0.8460103482
F    4.8626235376  -0.1338860578  -1.4074930952
F   -3.8814419207  -4.6623388091   0.5423219546
N   -0.4097355832   2.6357883065  -0.7191598931
N    0.3010432780   2.4447624028  -1.8304785128
N    1.1398975423   4.1626984402  -0.6569881160
C   -1.4326097904   1.6979132952  -0.3024432985
C    1.0907774503   0.1021246394   0.2218377171
C   -1.6610438967  -1.2009721203   0.7323280081
C   -0.6234524700   1.0712297951   2.5865900400
C    1.3559086975  -0.7368453897  -0.8626954043
C   -3.0121480448  -1.1724265104   0.3784335838
C    2.1487761478   0.8477688436   0.7446359737
C   -1.0884370783  -2.4422817201   1.0222753589
C    2.6242664444  -0.8312278738  -1.4145173022
C   -3.7714932732  -2.3320404520   0.3122637257
C    3.4242971894   0.7800899484   0.2028435654
C   -1.8263037935  -3.6153301000   0.9616147538
C    0.1092189286   3.6470516620  -0.0254301736
C    3.6338268932  -0.0597303808  -0.8721071068
C   -3.1585666871  -3.5339933047   0.6059868999
C    1.2117553928   3.3826598313  -1.7475535940
H   -1.8723309291   1.2646667192  -1.1996702453
H   -2.2240641881   2.2516832751   0.2045849251
H   -1.6402382228   1.2170786408   2.9559449255
H   -0.1119651704   0.4006807832   3.2788859168
H   -0.1204902755   2.0393840061   2.6357530562
H    0.5627746853  -1.3317083315  -1.3001094876
H   -3.5009977025  -0.2342077798   0.1439297726
H    1.9920890077   1.5064629069   1.5902751269
H   -0.0427889652  -2.5107222638   1.2982580349
H    2.8226498124  -1.4850578639  -2.2537760058
H   -4.8167815082  -2.2995477422   0.0345315340
H    4.2365052468   1.3669724347   0.6111831087
H   -1.3727202624  -4.5722350017   1.1841849577
H   -0.3050051728   3.9877022740   0.9106533872
H    1.9558254087   3.5109245306  -2.5182174530
*