! 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  -0.0571121258   0.2599933678   1.3773798625
F    5.0696957506  -0.3035791380  -1.6752710805
F   -4.0934444385  -3.8869150249  -0.1958193747
N   -0.7105644481   2.5489114420  -0.1487176757
N   -1.0094208683   1.7744000972  -1.1909703598
N   -0.4870898922   3.8411891570  -1.8840705931
C   -0.7213759167   2.0399020637   1.2027829669
C    1.5157606092   0.0933318313   0.3694504854
C   -1.3137322872  -1.0354763813   0.8598803189
C    0.3109552532   0.0662487948   3.2074508926
C    1.9427173013  -1.1498259265  -0.1028439578
C   -2.1250241495  -1.6448081889   1.8199476076
C    2.3369728072   1.1974511433   0.1261345077
C   -1.4777225032  -1.4278507449  -0.4716555867
C    3.1378054374  -1.2970009270  -0.7930093853
C   -3.0693898723  -2.6035499509   1.4777110666
C    3.5349379162   1.0770328584  -0.5631054403
C   -2.4074265109  -2.3889589654  -0.8380426632
C   -0.3992471806   3.7708193784  -0.5748628061
C    3.9116649098  -0.1744478971  -1.0094638838
C   -3.1890022522  -2.9576625699   0.1494363900
C   -0.8609666081   2.5906339326  -2.2050960458
H   -1.7361166580   2.0887324389   1.6068445070
H   -0.1170503473   2.7093498425   1.8167683066
H    1.1113348205   0.7465987142   3.5050067695
H   -0.5549478026   0.2928598381   3.8325070891
H    0.6383821581  -0.9470483812   3.4457673956
H    1.3407535126  -2.0349040514   0.0647959094
H   -2.0322685417  -1.3793009772   2.8659803502
H    2.0564871318   2.1840209910   0.4757922831
H   -0.8748859035  -0.9763164378  -1.2479011250
H    3.4587748803  -2.2657048416  -1.1528619795
H   -3.6937515758  -3.0664080736   2.2305236785
H    4.1617566843   1.9394926105  -0.7475994995
H   -2.5231845765  -2.6879213329  -1.8716007882
H   -0.1211733960   4.5707365654   0.0937244059
H   -1.0332262199   2.2665511893  -3.2195013851
*