! 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  -0.5954100480   0.3413095638   0.8543877596
F    4.8109347468  -0.2563643553  -1.6419120644
F   -3.8846845039  -4.6543267694   0.5398582901
N   -0.4428925050   2.7288556833  -0.5188867027
N    0.2200733023   2.6798525298  -1.6735233886
N    1.0676063740   4.2875348198  -0.3584210210
C   -1.4306382154   1.7267571907  -0.1688267671
C    1.1064248825   0.0808956429   0.1191528670
C   -1.6222381753  -1.2198759698   0.7200313578
C   -0.4557579387   0.9165188370   2.6324841048
C    1.2949447613  -0.7097553817  -1.0164196347
C   -1.0495357913  -2.4741315160   0.9482517414
C    2.2133696736   0.7567743810   0.6356671703
C   -2.9874588880  -1.1694921130   0.4294363331
C    2.5385776751  -0.8334807191  -1.6170202498
C   -1.8011968981  -3.6384067910   0.8897804724
C    3.4666659169   0.6555002024   0.0489716651
C   -3.7609407590  -2.3200596532   0.3665430337
C    0.0791636539   3.6776870859   0.2562511303
C    3.6022102143  -0.1430363519  -1.0685485027
C   -3.1476652289  -3.5349625958   0.5991546674
C    1.1089829184   3.6307284065  -1.5288055247
H   -1.8594615568   1.3497134201  -1.0964669628
H   -2.2388810470   2.2101472697   0.3820943744
H    0.0561422634   0.1741933281   3.2474359645
H    0.0909483376   1.8560474274   2.7332221321
H   -1.4477406669   1.0718890857   3.0604832742
H    0.4612758834  -1.2473801239  -1.4525094536
H    0.0067326584  -2.5603007527   1.1744051497
H    2.1143956355   1.3823452220   1.5144814510
H   -3.4774405844  -0.2209560024   0.2445725327
H    2.6775118274  -1.4516236994  -2.4941186808
H   -1.3483726124  -4.6052555426   1.0657537788
H    4.3193290099   1.1831184906   0.4557551583
H   -4.8176109335  -2.2710139164   0.1391349281
H   -0.3006481900   3.9078173455   1.2394854043
H    1.8135341215   3.8641806296  -2.3115704219
*
