! 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 "WATER"
end
*xyz 0 1
Si   0.3005187655   0.6104985774   0.6414977773
F    5.8225900858  -1.3562055800  -0.6077250794
F   -3.6512519294  -3.7457081792  -0.4963174247
N   -1.3459208402   2.6477448513  -0.3979315004
N   -2.2671917584   2.4288839807  -1.3363588415
N   -3.1480117684   3.6047012016   0.3581563782
C   -0.0033701670   2.1100023198  -0.4971965123
C    2.0304456822  -0.0091775702   0.2585784867
C   -0.9632419885  -0.7209365691   0.2632139789
C    0.1703330705   1.1361645878   2.4336898702
C    2.2706865754  -0.8253077324  -0.8498480684
C   -1.3617438269  -1.6036114988   1.2708986634
C    3.1189643826   0.3365430720   1.0622352589
C   -1.5101259929  -0.8962168108  -1.0102825828
C    3.5440427997  -1.2828184133  -1.1539538475
C   -2.2653049546  -2.6274235879   1.0278695034
C    4.4023548012  -0.1106081945   0.7804439003
C   -2.4161686010  -1.9128088621  -1.2781588517
C   -1.8844765898   3.3402791677   0.6034788001
C    4.5874012197  -0.9143763406  -0.3266843800
C   -2.7749269400  -2.7604140828  -0.2488422729
C   -3.3241728138   3.0213033255  -0.8384608920
H    0.7108242780   2.8999884542  -0.2562773110
H    0.1727518093   1.8559009796  -1.5419942706
H   -0.8501939239   1.4256695122   2.6908624720
H    0.4559416629   0.3278077320   3.1094167575
H    0.8180667195   1.9869851082   2.6524662501
H    1.4548345663  -1.1258828583  -1.4971520262
H   -0.9680781382  -1.5024690830   2.2752131290
H    2.9795987257   0.9643072521   1.9338952968
H   -1.2416748926  -0.2316373321  -1.8215966009
H    3.7203830967  -1.9168045174  -2.0128504155
H   -2.5668033801  -3.3052522755   1.8155427359
H    5.2389077195   0.1582099105   1.4118737045
H   -2.8365143679  -2.0402718079  -2.2670689672
H   -1.3264918985   3.6483107254   1.4739226071
H   -4.2631957022   3.0345269026  -1.3693149356
*
