! 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  -0.0030613702   0.4640477146   1.4419929310
F    4.9823496285  -0.4489269216  -1.7494240496
F   -4.2340278397  -3.6209406222   0.2590169312
N   -0.6698023554   2.3432146393  -0.5240060611
N    0.3416003348   2.9378801778  -1.1544875669
N   -1.1580525025   2.1863631083  -2.6345840857
C   -0.6627513437   2.1781606549   0.9149794967
C    1.5533731030   0.1174918643   0.4590930430
C   -1.3203662121  -0.8125582688   1.0325522650
C    0.3427409555   0.5276690462   3.2813502438
C    2.8159513171   0.2577769434   1.0380073634
C   -2.6750148554  -0.5229396495   1.2207214447
C    1.4934258763  -0.2244321012  -0.8950625228
C   -0.9890864114  -2.0930670377   0.5832415764
C    3.9793331832   0.0697742236   0.3046619707
C   -3.6656327988  -1.4588033271   0.9634419844
C    2.6401564643  -0.4186004525  -1.6489290407
C   -1.9612072730  -3.0479643249   0.3203713066
C   -1.5547129451   1.8936947552  -1.4157338766
C    3.8655964865  -0.2644425982  -1.0298044509
C   -3.2853585611  -2.7082588982   0.5139735236
C    0.0052117912   2.8246611987  -2.4163716662
H   -1.6672614687   2.3660555840   1.2985560572
H   -0.0301704657   2.9631620919   1.3299098580
H   -0.5733689662   0.7359516093   3.8381882897
H    0.7366823982  -0.4209758836   3.6503867736
H    1.0596991707   1.3103299810   3.5370616404
H    2.9137329950   0.5197387121   2.0846742184
H   -2.9866383073   0.4519468290   1.5777036403
H    0.5367733629  -0.3514909738  -1.3886143245
H    0.0476535867  -2.3674708847   0.4296434896
H    4.9532013925   0.1815145973   0.7633626532
H   -4.7111418710  -1.2204223747   1.1098061391
H    2.5819605739  -0.6831353402  -2.6967550089
H   -1.6925983368  -4.0365531331  -0.0287695168
H   -2.4601315673   1.3756419003  -1.1404294862
H    0.6248691071   3.2192329567  -3.2066548475
*