! 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 "1-OCTANOL"
end
*xyz 0 1
Si   0.1709355511   0.4069409822   1.4613477576
F    5.3108008847  -0.6425459283  -1.4501994491
F   -4.2714783538  -3.1446837146  -0.4190963335
N   -0.8227344782   2.3110263231  -0.3333060307
N   -2.1191649899   2.2636550077  -0.6366980175
N   -0.8912592726   2.3743240133  -2.5033849303
C   -0.3670708681   2.1928331975   1.0368179105
C    1.7695839763   0.0606572723   0.5346894426
C   -1.1779956300  -0.7550313897   0.8777601433
C    0.4161987425   0.3139024728   3.3159701180
C    2.0147545057  -1.1614271598  -0.0949370120
C   -1.3874653282  -0.9930596741  -0.4841235911
C    2.7757439378   1.0301886635   0.4808181690
C   -2.0518903883  -1.3590786196   1.7835760632
C    3.2042219074  -1.4105252138  -0.7654712333
C   -2.4239650796  -1.7958671608  -0.9328320519
C    3.9726683311   0.8058766656  -0.1822655975
C   -3.0977365221  -2.1673397829   1.3594466538
C   -0.0998459194   2.3721717298  -1.4535325863
C    4.1608407653  -0.4159501596  -0.7989403245
C   -3.2635649971  -2.3673209421   0.0038341492
C   -2.1135396128   2.3064525358  -1.9470307748
H   -1.1912985846   2.4972115503   1.6818412098
H    0.4361167176   2.9120102918   1.2080089450
H   -0.4808038373   0.6093019833   3.8635613829
H    0.6910820673  -0.6918829993   3.6382234702
H    1.2195771499   0.9840798543   3.6291218533
H    1.2704397761  -1.9480504497  -0.0724586462
H   -0.7309481305  -0.5549621522  -1.2271342965
H    2.6396609691   1.9921712538   0.9619522920
H   -1.9294616838  -1.2065704846   2.8491798936
H    3.3800438120  -2.3605159934  -1.2534503885
H   -2.5754733227  -1.9712943272  -1.9900701201
H    4.7412863096   1.5668906918  -0.2198042971
H   -3.7692774855  -2.6301504683   2.0708989761
H    0.9781110352   2.4205897635  -1.4587732110
H   -3.0282172989   2.2894057964  -2.5191902301
*
