! 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  -3.4209834923   0.7664973478  -0.2588396992
F    3.1880717691  -4.0760293517   0.2400433098
O   -0.6684113508   0.7299441797   1.5730761244
N    1.2223545717   1.6701920595  -0.5283178281
N    1.6163542578   2.1461533602   0.6559191165
N    3.3417674613   2.0665572703  -0.7589915576
C   -1.9298350629  -0.4050840299  -0.0634215518
C   -0.5506669219   0.1554992961   0.2943209323
C   -0.1413491321   1.2355998966  -0.7256196458
C   -3.4243127401   1.5506673388  -1.9753941586
C   -3.5045025800   2.1209934452   1.0437195826
C   -4.9397584734  -0.3390923054  -0.1138915858
C    0.4805570644  -0.9728486933   0.2883087927
C    0.8230525540  -1.6107779786  -0.9038022787
C    1.0806909090  -1.4133832110   1.4621066842
C    1.7338941408  -2.6540137612  -0.9327692681
C    1.9953160215  -2.4596000488   1.4556617510
C    2.2618038679   1.6200257395  -1.3590502285
C    2.3068359374  -3.0623259343   0.2560999819
C    2.8942438034   2.3691587722   0.4714922015
H   -1.8617749804  -0.9836864056  -0.9902789929
H   -2.1930112767  -1.1374895019   0.7077257281
H   -0.7957780103   2.1034884077  -0.6269334195
H   -0.2258574081   0.8745296104  -1.7492146460
H   -4.3546551136   2.0994213298  -2.1427268303
H   -3.3523390110   0.7943806753  -2.7607329648
H   -2.6091208256   2.2599280052  -2.1318485682
H   -2.6414065524   2.7874142070   1.0127631698
H   -3.5656119629   1.7132817505   2.0541267208
H   -4.3943810780   2.7356473620   0.8860680096
H   -4.9156615461  -1.1516138914  -0.8438399154
H   -5.8630691794   0.2197826914  -0.2828991865
H   -5.0130521587  -0.7950112282   0.8760983316
H    0.1147136464   1.2777508037   1.7401203898
H    0.3724318631  -1.3061689139  -1.8406648265
H    0.8374084470  -0.9525046665   2.4092054438
H    1.9889832922  -3.1413784256  -1.8647234914
H    2.4539560148  -2.7966293210   2.3762814049
H    2.1854122538   1.2652102715  -2.3747415138
H    3.5209081162   2.7675781064   1.2540337978
*
