! 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   0.4008224917   0.6870548830   0.6678234553
F    5.8941870551  -1.4606275037  -0.3769741496
F   -3.9004950054  -3.2614726373  -0.6542107389
N   -1.3484223561   2.4569086995  -0.5237237207
N   -2.1620611033   1.9021544391  -1.4225079860
N   -3.3479753909   3.0488584457   0.0980902498
C    0.0710235705   2.1676066967  -0.4976066166
C    2.1162735303   0.0192339877   0.3192275069
C   -0.9018684982  -0.6092880770   0.3038125625
C    0.2307394012   1.2837076507   2.4375625006
C    2.4900665707  -1.2490144742   0.7732087929
C   -2.1249815907  -0.5892350894   0.9776354029
C    3.0673681498   0.7693062707  -0.3759199221
C   -0.7258309016  -1.5630214295  -0.7007112431
C    3.7595629615  -1.7581317011   0.5452204867
C   -3.1438330971  -1.4759708293   0.6630584781
C    4.3446667852   0.2818844274  -0.6157847686
C   -1.7267716569  -2.4653506617  -1.0297858750
C   -2.0664756389   3.1238774881   0.3781943499
C    4.6639563259  -0.9772091012  -0.1485556133
C   -2.9217803526  -2.3983356633  -0.3400349230
C   -3.3431132927   2.2876385704  -1.0086584806
H    0.5991689006   3.0632884819  -0.1673658875
H    0.3902998827   1.9679294779  -1.5197548258
H    0.3807959199   0.4647432882   3.1435247518
H    0.9725320056   2.0531961895   2.6587240878
H   -0.7524125081   1.7116587895   2.6443392903
H    1.7822686135  -1.8663927566   1.3138873540
H   -2.3068526326   0.1300598129   1.7671979687
H    2.8265222672   1.7577160943  -0.7483314697
H    0.2082285666  -1.6142666550  -1.2477781418
H    4.0382359749  -2.7424520948   0.8978571470
H   -4.0891353998  -1.4504151963   1.1889932063
H    5.0735901543   0.8704567080  -1.1570376772
H   -1.5805040939  -3.2031279401  -1.8079788642
H   -1.6200189522   3.6646847181   1.1979715703
H   -4.2414143663   2.0106427266  -1.5379763081
*