! 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  -3.4416206915   0.7882877002  -0.2392788667
F    3.2206706055  -4.0325230457   0.1354477452
O   -0.7172655062   0.6829974222   1.5340555207
N    1.2751529258   1.6706963986  -0.4578275128
N    1.6478655488   2.0773505987   0.7584787804
N    3.4170622160   1.9769562759  -0.6000663601
C   -1.9245273474  -0.3647013283  -0.1996381087
C   -0.5564330433   0.1636393903   0.2373805872
C   -0.0924394472   1.2853860584  -0.7153430023
C   -3.3604958062   2.0215642449  -1.6672729745
C   -3.7289969560   1.7235961905   1.3673628905
C   -4.9038241605  -0.3631434888  -0.5483476945
C    0.4678014429  -0.9710949351   0.2196663777
C    0.8587721992  -1.5535514061  -0.9858309782
C    1.0265439255  -1.4597736663   1.3949047678
C    1.7845220603  -2.5835168022  -1.0263080525
C    1.9539691008  -2.4940376254   1.3770351675
C    2.3405502573   1.6075486445  -1.2548350888
C    2.3201919960  -3.0356627931   0.1638629573
C    2.9402365831   2.2494349761   0.6269097441
H   -1.8430382380  -0.8209001190  -1.1918069763
H   -2.1875960104  -1.1927314749   0.4688089971
H   -0.7285374627   2.1623531753  -0.5901525770
H   -0.1557673851   0.9820958636  -1.7587426179
H   -2.6672465540   2.8457678479  -1.4884328515
H   -4.3443103266   2.4701018426  -1.8275494759
H   -3.0703818445   1.5442723755  -2.6056577967
H   -2.9630207668   2.4778384042   1.5494689786
H   -3.7468175903   1.0574311986   2.2315925884
H   -4.6927623473   2.2375378883   1.3323694269
H   -4.7902811557  -0.9238490455  -1.4793354269
H   -5.8406196929   0.1947910868  -0.6187246827
H   -5.0217048979  -1.0922642561   0.2568760978
H    0.0730401073   1.1974487784   1.7611365704
H    0.4394959446  -1.2129529397  -1.9249944696
H    0.7401577424  -1.0426400210   2.3504025520
H    2.0825685222  -3.0253855582  -1.9683393099
H    2.3836311526  -2.8673725268   2.2978173676
H    2.2857153567   1.2965344011  -2.2863592861
H    3.5575535654   2.5850811428   1.4456958894
*
