! 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  -0.1124428740   0.5279994261   1.2903810054
F    5.1208909549  -0.4861813696  -1.4465365358
F   -4.0256950874  -3.9418603363   0.5049108479
N   -0.7009473710   2.4342644086  -0.6848650627
N   -0.8125488298   1.4104799137  -1.5296691065
N   -0.5459783462   3.3198026095  -2.6601608789
C   -0.7672210416   2.2320014054   0.7438434259
C    1.5144748329   0.1875191329   0.4237558742
C   -1.3484870108  -0.8469723766   0.9826552923
C    0.1769908592   0.6722857742   3.1405018000
C    2.6458767382   0.9405942864   0.7447871683
C   -2.5822601794  -0.6446251719   0.3632528885
C    1.6442514899  -0.7952415246  -0.5578558961
C   -1.0538099275  -2.1359130854   1.4363085264
C    3.8657767699   0.7275201919   0.1186492251
C   -3.4931382889  -1.6788588205   0.1999332599
C    2.8551166247  -1.0349437088  -1.1914933303
C   -1.9435952638  -3.1884237606   1.2777382071
C   -0.5412425012   3.5662288477  -1.3698004549
C    3.9451711978  -0.2640404562  -0.8390064740
C   -3.1526138949  -2.9351614983   0.6602352296
C   -0.7174954181   1.9860848758  -2.7026918198
H   -1.7914038978   2.3857240616   1.0962315536
H   -0.1606237149   3.0014338572   1.2258562438
H    0.9222940307   1.4319757918   3.3848375354
H   -0.7435526395   0.9391457471   3.6642494615
H    0.5281892968  -0.2719424368   3.5618785658
H    2.5950337316   1.7162420792   1.5004531333
H   -2.8548028092   0.3326135807  -0.0130165636
H    0.7889596347  -1.3943686230  -0.8443012512
H   -0.1081178572  -2.3434280110   1.9248183229
H    4.7352997443   1.3192133885   0.3735365740
H   -4.4481152419  -1.5087020185  -0.2801740828
H    2.9465229401  -1.8039589311  -1.9474664348
H   -1.7004623415  -4.1825257388   1.6298939074
H   -0.4203261661   4.5258749568  -0.8933059164
H   -0.7677539729   1.4198139321  -3.6198179099
*